smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2nc(-c3cccc4ccccc34)cs2)CC1 15276995 AHGSPSYGAPFKOQ-UHFFFAOYSA-N 484.503 6.217 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2[N+](=O)[O-])CC1 21596010 FTPINOGGIVILLY-UHFFFAOYSA-N 492.963 5.989 5 40 JKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223362438 JUEAQDAJIFCDFN-NRFANRHFSA-N 492.041 5.204 5 40 JKBB CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)[C@@H]5CCCC[C@@H]5N4)cc3[N+](=O)[O-])sc2c1 253566836 JLCWXXGKLDNDHR-XFQAVAEZSA-N 484.603 5.031 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408560424 ZLDRLDHBVGTRDE-UHFFFAOYSA-N 490.343 5.848 5 40 JKBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1 2246867 DTCCSUXPZDEZLO-UHFFFAOYSA-N 495.970 5.361 5 40 JKBB CCCCOc1cc2nc3c4cc(Br)ccc4n(CC(C)C)c3nc2cc1OCCCC 2281558 DHTJFYXGZOGXAS-UHFFFAOYSA-N 498.465 7.514 5 40 JKBB Cc1ccc(COC(=O)c2ccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cc2)cc1 3275030 CTXRWBHMOWZUEA-UHFFFAOYSA-N 466.449 5.214 5 40 JKBB C[N+]1(C)CCC[C@@H](OCCCCCCCCCCCCCCO[C@@H]2CCC[N+](C)(C)C2)C1 4404247 CERPRAKKBOGKBI-VSGBNLITSA-N 454.784 6.178 5 40 JKBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@@]12C=Cc1cc(Br)cc(Br)c1O2 9144828 ZKNOJBSTPCTHGJ-IBGZPJMESA-N 480.156 5.649 5 40 JKBB O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1c(Cl)cccc1C(F)(F)F 11276408 BCXQPNZZMHWOEB-UHFFFAOYSA-N 488.849 5.009 5 40 JKBB Cc1cc(C)n(Cc2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)n1 13643950 DPZJZPGIEYIUCB-UHFFFAOYSA-N 461.501 5.353 5 40 JKBB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 15947061 VZWCETTUBGWDMA-FQEVSTJZSA-N 472.954 5.765 5 40 JKBB CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 20969835 SOQLRVSDCRWUPF-UHFFFAOYSA-N 481.512 6.184 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 35851961 DCAZCKMMEAPQGQ-GIBNYFNHSA-N 499.592 5.030 5 40 JKBB COC(=O)CN1[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 49563696 SRHQYJVMKSILMY-GOTSBHOMSA-N 482.334 5.046 5 40 JKBB O=C(N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F 102641575 PCTFTRIXCXTJKQ-CMJOXMDJSA-N 497.429 6.300 5 40 JKBB Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)c3ccccc32)cc1 106722500 NAZKXQWBFWBMKJ-QFEZKATASA-N 483.549 6.143 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 214055313 KBUVKQHZGURROC-BUVRLJJBSA-N 490.537 5.809 5 40 JKBB CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 408564859 AOVGLHRTOMNNDI-SFHVURJKSA-N 497.802 5.500 5 40 JKBB Cc1ccc(C(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 408750499 NWZXGWXXUWCSLN-UHFFFAOYSA-N 489.534 5.289 5 40 JKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 408800682 OKWXCTNBBCATQK-UHFFFAOYSA-N 480.953 5.899 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCc2ccc([N+](=O)[O-])cc2)=N1 408993639 WXGHPYHLHQJCQM-QHCPKHFHSA-N 458.543 5.441 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)cc1 409194884 DVVVAJHTFRJYFW-UHFFFAOYSA-N 453.325 7.246 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 16611230 IUQQIRYGQCWLMY-HNNXBMFYSA-N 488.569 6.352 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)c([N+](=O)[O-])c1 20151018 HGUYEMJYIUOYPR-IZZDOVSWSA-N 478.888 6.221 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1OC 408547171 SUMAXUKDKYMVFG-UHFFFAOYSA-N 465.409 5.052 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408926865 WOPATTHQNUGFEB-AWNIVKPZSA-N 491.447 5.066 5 40 JKBB O=C(O)c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 408999112 WJMIRUYJPKXUEC-HFHBXGEPSA-N 470.525 6.169 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409258619 VSIBPECYDUYICI-UHFFFAOYSA-N 477.498 5.079 5 40 JKBB O=C(c1cccc(Br)c1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 682703 DHOIBJGZBDSRBJ-QHCPKHFHSA-N 476.330 5.627 5 40 JKBB biogenic O=c1c2ccccc2oc2nc(-c3ccc(Cl)cc3Cl)n(CCc3ccccc3)c(=O)c12 8836288 LJNXBNHMYQGBSL-UHFFFAOYSA-N 463.320 5.719 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(C)cc4[N+](=O)[O-])o2)N3)C1 8920404 OCDFSYPDVNOFSP-CMJOXMDJSA-N 479.602 7.195 5 40 JKBB COc1ccc(Cn2cc(OC(=O)CC(C)C)c3c2nc(CC(C)C)n2c4ccccc4nc32)cc1 9243150 FDAJTPMHACMIFC-UHFFFAOYSA-N 484.600 6.044 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 11614360 JYEIJOAXRXKUFX-XMMPIXPASA-N 464.521 6.290 5 40 JKBB CCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1 13946225 SHGBXZGZYNDTSE-FMIVXFBMSA-N 462.487 5.465 5 40 JKBB Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)CC2=O)cc1 16292920 USEDSWUCQARZAV-GOSISDBHSA-N 480.904 5.445 5 40 JKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 408846817 RIVSZGRBHDUJLL-YBFXNURJSA-N 483.263 5.465 5 40 JKBB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)cc2[N+](=O)[O-])cc1 1879982 GETXYAMIIYICGU-UHFFFAOYSA-N 459.502 5.148 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1 2053257 LGELHPAWLBUAAZ-UHFFFAOYSA-N 462.462 5.305 5 40 JKBB O=[N+]([O-])/C=C/c1cn(CCCCCCCCn2cc(/C=C/[N+](=O)[O-])c3ccccc32)c2ccccc12 5741532 AOHDCEYPGMZIKQ-MXWIWYRXSA-N 486.572 7.132 5 40 JKBB CCOc1ccc(-c2cc(-c3ccccc3)c3c(N)c(-c4ccc([N+](=O)[O-])cc4)sc3n2)cc1 6090167 KQMDGVWJBBDGKJ-UHFFFAOYSA-N 467.550 7.186 5 40 JKBB O=[N+]([O-])/C=C\c1cn(CCCCCCCCn2cc(/C=C\[N+](=O)[O-])c3ccccc32)c2ccccc12 8651983 AOHDCEYPGMZIKQ-IKBKFCNISA-N 486.572 7.132 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1OC 8903892 BAEFMWWHXBFEFN-UHFFFAOYSA-N 488.500 5.273 5 40 JKBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(C4CCCCC4)cc3)cc2[N+](=O)[O-])C1 12660344 LEZAINMZBDRYKA-PMACEKPBSA-N 478.589 6.165 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc2cc(Br)ccc2c1 25423480 WISWQLJRQXPXPQ-UHFFFAOYSA-N 491.363 5.477 5 40 JKBB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 96759151 PMOBZBCQLUNKKV-KAMYIIQDSA-N 453.376 5.528 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cccc1[N+](=O)[O-] 107849144 MUSNJJYVUUYRCI-UHFFFAOYSA-N 493.928 5.457 5 40 JKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223452150 XSJTZNKLQFTOTC-IBGZPJMESA-N 480.392 5.166 5 40 JKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccccc3)cc2)cc1 408571332 OJLVOUIQJLTLPR-XMMPIXPASA-N 460.559 5.573 5 40 JKBB O=C(Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1)c1cccc(Cl)c1 1085268 UGTUEUXJWQQTNB-UHFFFAOYSA-N 461.861 6.013 5 40 JKBB CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(S(=O)(=O)O)cc2[N+](=O)[O-])cc1 1761766 COKQWQHJVNJFKM-UHFFFAOYSA-N 451.541 5.013 5 40 JKBB CCOc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(OCC)cc2)cc1 2676931 JVPOQHWVLBOATF-QPLCGJKRSA-N 461.543 6.144 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 4091001 UWNGDEMCLNOOIK-DHZHZOJOSA-N 478.917 5.583 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 8888072 FFFOBRAPFCQRAS-UHFFFAOYSA-N 466.799 6.808 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 22819742 YMQKVIWLKCGFIU-UHFFFAOYSA-N 498.973 5.660 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H](c3ccc([N+](=O)[O-])s3)C2=C(O)C1 102453407 ICNJVZPNARQHCH-SANMLTNESA-N 487.581 6.692 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@](Cl)([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118928899 QOMCHSBQXXXJGP-UEWDELQXSA-N 452.123 8.320 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)c1 408571152 NWRRJXAHGVQNTF-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB O=C(Nc1ccccc1C(=O)N1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 408686774 SUAMGBQQIMPRGO-WKEDTZOBSA-N 491.503 5.296 5 40 JKBB COc1cc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)o2)cc([N+](=O)[O-])c1OC 408985375 LQMOCIYQEXPNDP-UHFFFAOYSA-N 481.530 5.908 5 40 JKBB CCCCCN(CCCCC)C[C@H](O)c1cccc2c1cc(Br)c1ccccc12 1593473 CDIKRMYOLOQRCQ-SANMLTNESA-N 456.468 7.471 5 40 JKBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2246542 WZZITAMCGOQIMM-UHFFFAOYSA-N 451.452 5.267 5 40 JKBB O=c1c2c(-c3ccc(Cl)cc3)csc2nc2c3ccccc3c(Sc3ccccc3)nn12 2679342 OOUXHMXNVLVREJ-UHFFFAOYSA-N 471.994 6.929 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3ccc(Cl)c(C)c3n2)cc1 9500196 BMECULKVPCEXEO-UHFFFAOYSA-N 474.900 6.120 5 40 JKBB CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)s2)cc1 15912845 ICBCQBKKTPQYHP-GFCCVEGCSA-N 477.999 6.086 5 40 JKBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 260759386 GIUAJPMCSYTDJS-ZLUZWTFRSA-N 450.520 5.238 5 40 JKBB O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1 408755069 BLABKDYJIADVJI-UHFFFAOYSA-N 493.906 7.099 5 40 JKBB O=C(O)c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1Cc3ccccc3[C@@H]21 409001652 PZUPIPOIQYRUCH-HZFUHODCSA-N 492.531 6.343 5 40 JKBB CCCCCCN(CCCCCC)[C@@H](C)[C@H](O)c1cc(C)c2ccc3cc(C(C)C)ccc3c2c1 4416729 HYENTMFFSJYOKN-UBOZLPQGSA-N 475.761 9.309 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 8832458 CGHUDNUOGKCDQB-AWEZNQCLSA-N 467.547 5.419 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])nc3ccccc3c2=O)c(C)c1 12540915 LRZWDWMBFBXLLC-UHFFFAOYSA-N 488.569 5.258 5 40 JKBB CCCc1ccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)cc1 13643571 ATSWCSXHAYJJOU-UHFFFAOYSA-N 469.570 6.296 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1C 14269745 MGVJKPGBFVAXHD-FMIVXFBMSA-N 455.923 5.651 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 37073939 CRYDTGWOULSLPD-HCNQUQSVSA-N 460.961 7.124 5 40 JKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1 109040914 KOOGENRLNFPTDH-HJWRWDBZSA-N 492.269 5.254 5 40 JKBB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 226767707 UYSUJJVVGBTZMM-UHFFFAOYSA-N 453.248 5.381 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 408606585 ITZQQMMKUFHOOQ-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21 409121952 ZJCABSZBRAKALI-NDENLUEZSA-N 464.905 5.743 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 409179524 RVTBTRHSFYMSQP-UHFFFAOYSA-N 453.281 6.474 5 40 JKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 409180583 XJAMSGKOBDRWEQ-XMMPIXPASA-N 466.877 5.134 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1CCc1ccccc1 409217281 OPFXRTWZSQPFOD-XQNSMLJCSA-N 460.511 5.453 5 40 JKBB Cc1cccc2c1N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 2272262 LNEGSRVQAKTEQP-FMIVXFBMSA-N 454.598 6.718 5 40 JKBB Cc1cc(C)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 3330323 PUGJYKWRWJGJGQ-UHFFFAOYSA-N 465.889 5.444 5 40 JKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 8836799 CKIZOFLAECRUSU-CYBMUJFWSA-N 451.452 5.582 5 40 JKBB CC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc43)c2C1 8870271 PLMOJASCBBUNBP-MRXNPFEDSA-N 478.570 6.446 5 40 JKBB C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)c1ccccc1 13075058 FSMKIBCHMWGACU-HNNXBMFYSA-N 450.495 5.042 5 40 JKBB COc1ccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1OC 13552311 QICAGNBWMHRRCN-HYBUGGRVSA-N 465.893 5.508 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 15946702 GDCXGKDJDKIXFS-MRXNPFEDSA-N 484.622 5.094 5 40 JKBB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 16050322 NPKNQOBURNFXBJ-UHFFFAOYSA-N 469.921 5.983 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@H]3C2=O)c(C)c1 18113642 XRNUNXKWWYCCAH-VJBWXMMDSA-N 495.894 5.055 5 40 JKBB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 20970353 JHLRPPKJNRYALT-DEOSSOPVSA-N 469.501 5.271 5 40 JKBB CCOc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccccc1 22076878 FXNNOCTZHXYPES-UHFFFAOYSA-N 455.942 5.428 5 40 JKBB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 24771649 LIEUSZGAMFPWDU-KUHUBIRLSA-N 467.909 5.489 5 40 JKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44086868 HWLQGQLBTFCNBF-UHFFFAOYSA-N 478.961 6.140 5 40 JKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 408545266 XDSKOHIJTIZBGO-CMDGGOBGSA-N 477.286 5.941 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1 408577097 YOJLXQKQYRROOO-NRFANRHFSA-N 481.346 5.927 5 40 JKBB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 408642328 OAVVGNBNJBEJFD-GOSISDBHSA-N 473.529 5.676 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409016558 DOVZSADSLADPLH-NWGMWSOJSA-N 456.520 5.407 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 8900297 RHKVFSVNKXPJES-UHFFFAOYSA-N 495.539 6.492 5 40 JKBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 12375652 VNUTUGKMKPXCIJ-UHFFFAOYSA-N 498.451 5.800 5 40 JKBB COc1cc(-c2nc3c4sc5nc(C(F)(F)F)cc(C)c5c4ncn3n2)ccc1OC(F)F 13643719 AVVOJKTZFLJCRP-UHFFFAOYSA-N 481.406 5.491 5 40 JKBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 169706874 HNYADDICHTXWIO-OWGSYBQFSA-N 480.611 5.884 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224185152 PENFXJBLQVLKAB-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224552532 ILJUWMAOWNVLKS-DNQXCXABSA-N 472.526 5.436 5 40 JKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409012590 QSOWIMKHTPAANE-OTGIAGGSSA-N 491.363 5.771 5 40 JKBB CCCCc1nc2ccc3c(CCCC)nc4ccc5c(CCCC)nc6ccc1c1c6c5c4c3c21 1776010922 ZRHMPLTZHDYFHW-UHFFFAOYSA-N 471.648 9.132 5 40 JKBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 1673120 HSGAXBCGECCUFK-UHFFFAOYSA-N 483.527 5.209 5 40 JKBB O=[N+]([O-])c1ccc(SC2=C(N3CCOCC3)/C(=C/c3ccccc3)CCC2)c([N+](=O)[O-])c1 2072767 IJNITUVBPNFODX-OBGWFSINSA-N 453.520 5.406 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 2253609 CRYZZRAHSQTOCL-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2375187 FQPGSADMIBMXBE-UHFFFAOYSA-N 477.524 5.112 5 40 JKBB CCC1=NN(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)c2ccccc21 9012909 ZESFWAGXSZEGDL-VWLOTQADSA-N 471.542 5.495 5 40 JKBB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)Nc1cc([N+](=O)[O-])ccc1Cl 9478406 UJMNQMCPKDIJAG-UHFFFAOYSA-N 489.960 5.882 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 9518520 GVRBNFCQWXCRDU-UHFFFAOYSA-N 493.859 5.270 5 40 JKBB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 12542481 YSITVHDEIGBBOV-NIYFSFCBSA-N 499.995 5.444 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13076194 UTGCMPGGPNTLPV-UHFFFAOYSA-N 498.401 5.599 5 40 JKBB COc1ccc2nc3sc4c(SCC(=O)Nc5nc6ccccc6s5)ncnc4c3cc2c1 13086158 JRAILNBPIJTWPZ-UHFFFAOYSA-N 489.607 5.742 5 40 JKBB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14275990 GKNNWTJOWHNYKQ-UHFFFAOYSA-N 486.903 5.384 5 40 JKBB CCOc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 16789259 BNLCGVPQAXDEGA-UHFFFAOYSA-N 462.531 5.446 5 40 JKBB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 20970187 UCXASOFYOQXDGY-XMMPIXPASA-N 453.502 5.435 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 22714881 YPBAOPBHHDJISV-UHFFFAOYSA-N 478.555 5.315 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5F)nc4c3)cc2[N+](=O)[O-])CC1 59294080 YNHSBDZDRCGYOQ-UHFFFAOYSA-N 474.492 6.031 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1cccc(Cl)c1 59418214 MSKAOOMHNAZUDZ-VCHYOVAHSA-N 461.282 6.403 5 40 JKBB O=C(N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F 102641573 PCTFTRIXCXTJKQ-WNSKOXEYSA-N 497.429 6.300 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1c[nH]c2ccccc12 408569525 JKBWRQCWHRIMKA-HXUWFJFHSA-N 496.317 5.826 5 40 JKBB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408638386 CAQINDQZQJYDPB-OAHLLOKOSA-N 451.866 5.032 5 40 JKBB Cc1c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409141040 TVYOATZNCNDJCY-MFKUBSTISA-N 489.597 6.523 5 40 JKBB Cc1noc(C)c1COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2640156 DGCVWQNHJLXVJX-UHFFFAOYSA-N 452.410 5.727 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 12590188 CQHQWJZGTASBAU-SFHVURJKSA-N 460.273 5.251 5 40 JKBB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12639058 TWGFZCIWNOJSOU-AREMUKBSSA-N 469.497 5.457 5 40 JKBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57317091 MSPSGILLNUXBIZ-UHFFFAOYSA-N 491.750 6.415 5 40 JKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224851191 MOGKZXPJEVSSFF-INIZCTEOSA-N 492.403 5.310 5 40 JKBB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224947403 AYJXPNQDLKAAKN-OAHLLOKOSA-N 498.432 5.078 5 40 JKBB CCCCN1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O 408995476 AKQLECOKIKERPQ-UHFFFAOYSA-N 496.361 6.267 5 40 JKBB CCOc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409124621 JZCCRQOGBHFZGT-LJAQVGFWSA-N 493.563 6.355 5 40 JKBB O=c1oc2cc(OCc3ccc(Cl)cc3)cc(OCc3ccc(Cl)cc3)c2c2ccccc12 2062426 APMZTFSEBZYZNZ-UHFFFAOYSA-N 477.343 7.411 5 40 JKBB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 2343410 MXBFPGIIWSLLKN-AREMUKBSSA-N 464.949 6.149 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4cccs4)n3Cc3ccccc3)c1)OCOC2 2618261 AVLJJDQFPKXDKL-UHFFFAOYSA-N 466.544 5.122 5 40 JKBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3317833 ZFXVFVOQYJEOLT-UHFFFAOYSA-N 476.872 5.309 5 40 JKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC(F)(F)F)cc2)c1 8743966 SFPNNVPSPDPCQC-UHFFFAOYSA-N 451.364 5.443 5 40 JKBB COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(C)cc23)cc1[N+](=O)[O-] 8861312 SUKXTKMKCMRUGV-UHFFFAOYSA-N 470.481 5.475 5 40 JKBB C[C@H]1CCC[C@@H](n2c(=O)c3ccc4c(=O)n([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c5ccc(c2=O)c3c45)[C@H]1C 36019151 AASLOMJBKLCZLF-DUOVINJQSA-N 486.612 5.060 5 40 JKBB CC[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409014454 PWHWZZGMKXVMQR-BRABVMKYSA-N 462.527 6.162 5 40 JKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409170580 WKRWQUQKSCMXAT-BUVRLJJBSA-N 466.562 6.285 5 40 JKBB Cc1ccc(S(=O)(=O)n2cc3c4c(cc([N+](=O)[O-])cc42)Oc2ccc4ccccc4c2C3)cc1 1080300 LACGEXIONVMZGL-UHFFFAOYSA-N 470.506 5.945 5 40 JKBB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2150265 YKEACJVCCRFVDU-DEOSSOPVSA-N 489.524 5.345 5 40 JKBB biogenic CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)cnc32)cc1 2314697 VPWXOOVXQXPJQF-HXUWFJFHSA-N 473.580 6.236 5 40 JKBB O=C(Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21)c1ccc([N+](=O)[O-])cc1 2332902 RNCLROMMZSNNDP-UHFFFAOYSA-N 493.910 6.517 5 40 JKBB Cc1ccc(-n2c(Sc3ccc(Br)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1C 3416953 ICLOPSDUPNLPEV-UHFFFAOYSA-N 481.375 6.373 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C 6471756 NCHNEVSGMLXTGB-KDYSTLNUSA-N 485.584 6.688 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1C 8833070 NPGFUOZMCOBKDO-DHZHZOJOSA-N 490.368 6.305 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C(=O)c1ccccc1)c1ccc2oc3c(c2c1)CCCC3 9030733 NPHILAGXJHTGRL-UHFFFAOYSA-N 490.537 5.564 5 40 JKBB O=c1c2ccccc2sc2ccc(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc12 12377175 ZIYOJIYNQMDJQE-UHFFFAOYSA-N 455.560 5.787 5 40 JKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)cc2)c(C)c1 13643725 PYGWZXRXZRXSDF-UHFFFAOYSA-N 465.582 6.367 5 40 JKBB Cc1cc(C)cc(-n2c(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])nc3ccccc3c2=O)c1 15910532 WVDYZQGJUSTXAW-UHFFFAOYSA-N 488.569 5.258 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1 224418361 LUEFCOOXTQFHSQ-XZOQPEGZSA-N 460.490 5.566 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(F)c1 408565284 BNSVQGDNIOCDTG-OAQYLSRUSA-N 468.912 6.347 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(F)c1 408572984 RZZJTMCGZCGAGC-HXUWFJFHSA-N 454.885 5.957 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C)c1 409177839 JHSPFAJXQQYCNM-SANMLTNESA-N 460.486 5.098 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)cc1[N+](=O)[O-] 409275112 YMZMEDYYTMGLQZ-KEBDBYFISA-N 499.451 5.116 5 40 JKBB O=C1S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 409359848 NXGLZNLPFQEKJO-RQZCQDPDSA-N 486.868 5.206 5 40 JKBB CC(C)c1nc2sc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc3c2c2c1CCCC2 2385118 IAULCOIMERISIX-UHFFFAOYSA-N 450.589 6.442 5 40 JKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1)C(c1ccccc1)c1ccccc1 8424971 UYBVHEQAMLWXRO-MHZLTWQESA-N 499.611 5.293 5 40 JKBB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c2C(=O)O1 8951929 BYUIOHLYMPLHMO-GALSZHCDSA-N 453.491 5.361 5 40 JKBB O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] 9052871 FFIDQFLEGTULHS-UHFFFAOYSA-N 451.552 5.013 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccc(Cl)cc1Cl 9136265 MREPTTOVDTYAMV-UHFFFAOYSA-N 466.350 5.219 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc(C=C(c3nc4ccccc4s3)c3nc4ccccc4s3)o2)cc1 13303206 QUORIQRLYLAANK-UHFFFAOYSA-N 481.558 7.663 5 40 JKBB O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13371647 UHFYQBDTXRPOHX-UHFFFAOYSA-N 459.849 5.494 5 40 JKBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 14405189 HNNGNTZGIWXQAH-FOCLMDBBSA-N 481.512 5.302 5 40 JKBB CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 59482982 PLVSDXYDRVMCDY-HSZRJFAPSA-N 474.502 5.444 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223918495 JKNXNTMNWYRXGA-LOSJGSFVSA-N 485.569 5.493 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409127838 KBPLPQJWSFVYQS-UDWIEESQSA-N 469.519 5.407 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409191164 UBVAFYODKKBLBE-VXAIQDGOSA-N 498.491 5.265 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2-c2nc(O)c3ccccc3n2)cc1 409270526 QKDIMTGATZNDRV-UHFFFAOYSA-N 452.264 5.252 5 40 JKBB O=c1c2c(-c3cccc([N+](=O)[O-])c3)csc2ncn1Cc1cccc(Oc2ccccc2)c1 1792396 JNZCVCDKNVNBPY-UHFFFAOYSA-N 455.495 5.874 5 40 JKBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 2247943 VIRFEWAWEVJGSY-UHFFFAOYSA-N 497.942 5.003 5 40 JKBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 8836551 VNLGKTVCIIXHRS-QORCZRPOSA-N 460.917 5.245 5 40 JKBB CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)c1 9193687 VVKUWVQIYWBNKH-NRFANRHFSA-N 488.588 5.518 5 40 JKBB COc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2Cl)cc1 9441301 ORBXATOVZZARLI-UHFFFAOYSA-N 480.933 5.480 5 40 JKBB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Sc4ccc(F)cc4)c([N+](=O)[O-])c3)CC2)cc1 9506812 DVUXMMQGMIYPKI-UHFFFAOYSA-N 479.533 5.050 5 40 JKBB OC1=NC(=S)S/C1=C\c1ccc2ccc3ccc(/C=C4\SC(=S)N=C4O)nc3c2n1 16431677 QWKRISTZMDUFJG-PVRNWPCDSA-N 466.594 5.441 5 40 JKBB Cc1cccnc1N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1Cl 20419215 VBQLRZXOLUHFHY-UHFFFAOYSA-N 475.244 5.000 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc(Cl)cc1 210809466 LZFGWXAIEAHAIU-OEAKJJBVSA-N 472.953 6.321 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1 224482526 LCIBJRSBXOMSRL-GOTSBHOMSA-N 476.945 6.080 5 40 JKBB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225537302 YDNZIKJTXCJSSH-UHFFFAOYSA-N 465.594 5.690 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 408569061 INLVGNWVZWQRRP-NRFANRHFSA-N 496.317 5.826 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl 408573568 TWSWDHXQJCXKLS-OAQYLSRUSA-N 450.922 6.208 5 40 JKBB COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408625565 XLEAVXLSDTYASS-UHFFFAOYSA-N 471.307 5.506 5 40 JKBB Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1[N+](=O)[O-] 869024 GCUKEXTVLKEMSW-UHFFFAOYSA-N 462.506 5.692 5 40 JKBB Cc1cccc(N2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 2746762 COESUJHIERENIJ-HXUWFJFHSA-N 472.726 6.090 5 40 JKBB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)cc1[N+](=O)[O-] 11667556 QCASAILMCUBZTB-UHFFFAOYSA-N 465.354 5.062 5 40 JKBB CC(C)c1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 12401728 RLSFTSJROQSRGE-AREMUKBSSA-N 486.572 7.337 5 40 JKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 13129558 NDQUMBDKEWLPHN-SJORKVTESA-N 475.545 5.478 5 40 JKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 15549251 RXPIEJMUNXPNSN-CYBMUJFWSA-N 454.939 5.406 5 40 JKBB O=[N+]([O-])c1cc([C@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)ccc1Cl 15947340 UBAULEYGOHNNSY-FQEVSTJZSA-N 454.939 5.297 5 40 JKBB COc1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 16015291 CRZFQJVBXVFDBG-UHFFFAOYSA-N 481.892 5.194 5 40 JKBB O=[N+]([O-])c1ccc2c(CSc3nnc(COc4ccccc4)n3-c3ccccc3)c[nH]c2c1 59459172 OCMSQCVBQXDVPU-UHFFFAOYSA-N 457.515 5.528 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccc(C)cc4)CCC[C@@H]3[C@@H]2c2ccc(C)cc2)n1 98087353 JUQKZCJFATZVTA-KARQZZKSSA-N 483.572 5.865 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 408574536 VDJFSYLJIJFYPB-DEOSSOPVSA-N 460.559 5.573 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)S2)cc1 408772611 DLHSVONLIHSSLY-LIHBCPLWSA-N 490.368 6.324 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cn2nnc3ccccc32)cc1 409181081 VQVYGTJZUCAQRI-HHHXNRCGSA-N 492.491 5.169 5 40 JKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409182051 HYRGNNQBZXQAPO-UHFFFAOYSA-N 452.677 6.704 5 40 JKBB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409249321 KDSXJCHUNYDKMC-LICLKQGHSA-N 467.330 5.927 5 40 JKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1cccc2ccccc12 409331864 OZIADWUFMYCQKU-QBFSEMIESA-N 459.458 5.097 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 409410570 OEBIVDWAURJLTD-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB O=C(Nc1ccccc1O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 1082892 QLUNBFROMOKLHY-UHFFFAOYSA-N 476.872 6.791 5 40 JKBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 2441789 RBVMISXSGPEJQC-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 3428366 VZUUVZLAEDVNHV-RLMNYEENSA-N 454.530 5.104 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 8832343 HAMIAAAZPBEBET-WUXMJOGZSA-N 461.861 5.899 5 40 JKBB CC(C)(CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])SCc1cccc(C(F)(F)F)c1 8857410 MFWNJYQDZJSIGR-UHFFFAOYSA-N 497.417 6.665 5 40 JKBB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 9128606 YXTBRVTUKACQMG-OAQYLSRUSA-N 489.524 5.351 5 40 JKBB COc1cc(OC)cc([C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)c1 9467061 UJCATTBTCZDCEH-GOSISDBHSA-N 470.835 5.219 5 40 JKBB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060373 OOEIMQMERFZRNK-GOTSBHOMSA-N 489.919 5.230 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 20353308 PLUCLYQXDZMVJF-OAHLLOKOSA-N 474.542 6.043 5 40 JKBB CCn1nc(C(F)(F)F)cc1-c1nc2c3sc4nc(C(F)F)cc(C)c4c3ncn2n1 22535214 FBGSOHHSCKKLNU-UHFFFAOYSA-N 453.400 5.035 5 40 JKBB Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C)c1I 57316163 BYWCKOPWLOTAET-UHFFFAOYSA-N 462.243 5.329 5 40 JKBB O=C1[C@H]2[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1 102765499 JRARFLXUKCVKRZ-OYUWMTPXSA-N 491.503 5.313 5 40 JKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102788368 ZNDHOGAOENUSEB-HHHXNRCGSA-N 485.540 7.057 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224445320 KJSMDVGYDWXHIT-DHIUTWEWSA-N 460.490 5.566 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 250972435 CFONSXBLQKZZEQ-CGWFDZAZSA-N 490.559 5.944 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)c1 408571049 NBUWJFDWRBYPNK-DEOSSOPVSA-N 495.004 6.227 5 40 JKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 408750353 LSSVLGHLTMHXBJ-UHFFFAOYSA-N 465.487 5.437 5 40 JKBB Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1C 409099075 RUNKWTLHOLFCCG-UHFFFAOYSA-N 470.476 6.629 5 40 JKBB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1819819 RCMNSTSJCWDIPM-UHFFFAOYSA-N 463.005 6.972 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2441697 KBLYWYPWAGZPRR-UHFFFAOYSA-N 459.981 5.885 5 40 JKBB CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(Br)cc1 6821856 RSWNYPXUQZMKQM-UHFFFAOYSA-N 457.305 5.817 5 40 JKBB Cc1noc(-c2ccc(C(=O)O[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)cc2)n1 12806459 CJZJIKBZNSMGKL-NRFANRHFSA-N 492.875 5.143 5 40 JKBB CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)s2)cc1 15912843 ICBCQBKKTPQYHP-LBPRGKRZSA-N 477.999 6.086 5 40 JKBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1ccc(Cl)cc1 20847238 UGZDOIFJZIFYJJ-UHFFFAOYSA-N 481.759 5.264 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C1c2ccccc2Oc2ccccc21 24522316 VFZIUBUZNNDKBL-UHFFFAOYSA-N 453.450 6.368 5 40 JKBB O=C(O)c1ccc(-c2c3ccc4cc(O)ccc4c3oc3c2ccc2cc(=O)ccc23)c(C(=O)O)c1 35224090 JQVIDJJOHLALHF-UHFFFAOYSA-N 476.440 6.022 5 40 JKBB in-vitro O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)Nc1cccc(Cl)c1 44087135 BKGQBAVGBYDVEF-UHFFFAOYSA-N 482.924 5.971 5 40 JKBB COc1cc(C(=O)Nc2c(C)cnn2CC2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 58157825 WGZITCRQBFHUFK-UHFFFAOYSA-N 456.886 5.216 5 40 JKBB CCc1nnc2sc(-c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)nn12 95116506 HUJYGKQBEQKEFI-UHFFFAOYSA-N 484.950 5.444 5 40 JKBB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)CC1 100764362 VZIGTKHTWHCUIU-CALCHBBNSA-N 451.519 5.183 5 40 JKBB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 103056855 YSITVHDEIGBBOV-BCHFMIIMSA-N 499.995 5.444 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1O 106700425 KAZQYOVLSUNJJK-APSNUPSMSA-N 469.302 5.242 5 40 JKBB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107896782 LJJSCISKBQOLLH-UHFFFAOYSA-N 470.721 5.942 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1[N+](=O)[O-] 215276520 KIMUJMQPLSUJRQ-KEBDBYFISA-N 472.881 6.192 5 40 JKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)Cc2ccc(F)cc2)cc1 226069519 AGHHCSBDKOSFQR-RUZDIDTESA-N 460.654 5.572 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1 408777522 BHALWPZLYVJYDN-AFHVAHMMSA-N 455.923 5.670 5 40 JKBB CCOc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409207580 XYENZMLPNPWHDZ-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 409343767 FICARVUPBVQBAG-HMAPJEAMSA-N 484.530 5.092 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1C 1313882 GQJVFUALUUSTNL-UHFFFAOYSA-N 454.482 5.775 5 40 JKBB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1517905 BCOFGMZXZMMWRT-UHFFFAOYSA-N 459.845 6.569 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 1838675 DQBZXEWOWOGOSO-VWLOTQADSA-N 487.895 6.822 5 40 JKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2053023 KLILNTSDUKSQKF-UHFFFAOYSA-N 452.810 5.525 5 40 JKBB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2621912 KBJCQVSKWIBGHI-LLVKDONJSA-N 482.572 5.095 5 40 JKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12)c1cccc([N+](=O)[O-])c1 8722008 LHAKVIMDZCNJFS-UHFFFAOYSA-N 481.291 6.157 5 40 JKBB CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 9703454 XWPKKFYVHATYBT-UZLBHIALSA-N 496.593 5.129 5 40 JKBB O=C(COC(=O)c1c2c(nc3ccccc13)CC[C@@H](c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 13575304 XLBCQIOSFUMTJP-HXUWFJFHSA-N 466.493 5.455 5 40 JKBB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408562503 QJCZCIIXMCVVMJ-QOCHGBHMSA-N 481.317 5.409 5 40 JKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 409090607 ROKVXXUBELJHEZ-UHFFFAOYSA-N 484.503 6.553 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409181519 CLAUHTSOUHBMOK-FQEVSTJZSA-N 475.240 5.591 5 40 JKBB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1828496 VCDQMMHHAVFHHD-CYBMUJFWSA-N 458.967 6.794 5 40 JKBB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1 8818270 ZBAWBHMXEZZAGU-UHFFFAOYSA-N 498.627 5.417 5 40 JKBB O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8898644 MNVKVFGQNWTGQX-UHFFFAOYSA-N 480.735 5.777 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1 9724173 STDHTMFEVDGVSN-UHFFFAOYSA-N 452.879 5.183 5 40 JKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 12436988 FXDNQQOMWMAKBR-VWLOTQADSA-N 487.541 5.079 5 40 JKBB O=c1c2cc(Cl)ccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl 13476288 DASOUXDTGUOCLD-WDZFZDKYSA-N 472.715 6.425 5 40 JKBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107898852 AYOSXXXUWZRMBJ-UHFFFAOYSA-N 469.828 5.654 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 408563101 UCAJLAKYAQHFRQ-DAFNUICNSA-N 498.819 6.799 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565096 HRAWXSGSMMPZFZ-LAMXGVLKSA-N 498.366 5.094 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl 408565197 IUFFDZAGLPGUAP-VIQOPKQKSA-N 498.366 5.141 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O 408646027 VJAJXSKYXSUIRP-SFHVURJKSA-N 475.501 5.004 5 40 JKBB Cc1ccccc1N1C(=O)c2cccc3c(-c4ccc(C(=O)O)cc4)c([N+](=O)[O-])cc(c23)C1=O 408996003 CLYTTWPSTDODRW-UHFFFAOYSA-N 452.422 5.222 5 40 JKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c(C)c1 409371320 CAGRXWABZNLHFB-CIAFOILYSA-N 491.525 5.455 5 40 JKBB CCc1nc2c(c(=O)n1[C@H](C)c1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2240208 XOZFHSGVXIYLAG-LJQANCHMSA-N 489.579 5.523 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 2250811 KKSFTZVFQPDHEN-UHFFFAOYSA-N 493.998 6.328 5 40 JKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 2255908 LNQURSXFEKOEOK-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB C[N+]1(Cc2ccc(-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)CCc2[nH]c3ccccc3c2C1 2417539 KBRGZSAZDRCZAM-UHFFFAOYSA-N 466.521 5.496 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 9064804 FVRSMVSVPRJOKP-UHFFFAOYSA-N 450.303 5.597 5 40 JKBB Cc1cccc2oc3cc(NCCCN4CCCC(C)(C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9089661 UHTLFQHHLVCBTA-UHFFFAOYSA-N 495.623 6.173 5 40 JKBB CC1CCN(c2ccc(C(=O)N(C3=N[C@H](C)CS3)c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 12547007 XLHREBPGUOEHEM-MRXNPFEDSA-N 472.998 5.623 5 40 JKBB COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 12844486 KJTVRMFIVTURSH-LBPRGKRZSA-N 478.452 5.199 5 40 JKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Br)cc2)c1 14944054 WSUBAFRGFYFVSD-JLHYYAGUSA-N 462.303 6.050 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-] 20528935 ABUYJAUIKBOWBU-UHFFFAOYSA-N 452.206 5.331 5 40 JKBB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 32597711 ZRYQTJAWONUMGQ-WLJFKGHSSA-N 457.338 6.721 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl 40135364 GVAFMCHQKOXHRR-UHFFFAOYSA-N 463.277 5.148 5 40 JKBB O=S(=O)(Np1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1)C(F)(F)F 96837998 GRVVEHJKSSFTKA-UHFFFAOYSA-N 463.373 6.990 5 40 JKBB CN(C)c1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1 248085239 WGCKGYUFBBLHEK-QEGGNFSNSA-N 473.960 5.302 5 40 JKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 408756973 KYHIGCKAXLPDSW-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 408802926 JGLZRMKQXGJDRJ-UHFFFAOYSA-N 454.915 5.888 5 40 JKBB CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)c([N+](=O)[O-])c1 6600704 LDYDRDNOLSSORH-UHFFFAOYSA-N 458.474 5.107 5 40 JKBB CCCC(=O)Oc1cn(CCCc2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 9243329 SRXXKXHMTINSMO-UHFFFAOYSA-N 454.574 6.128 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ncccc5o4)c3)o2)c([N+](=O)[O-])c1 10035090 FDZMAJZHOGWKJM-UHFFFAOYSA-N 474.860 6.272 5 40 JKBB Cc1cc(C)cc(N(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c2nc3ccccc3s2)c1 12531384 QHHLWBBFFUAUHR-UHFFFAOYSA-N 472.570 6.400 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)CCc2nc3ccccc3s2)c2ccccc2)c([N+](=O)[O-])c1 12617001 XQLWRKRTKQIYQS-DEOSSOPVSA-N 475.526 5.369 5 40 JKBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1-n1c(-c2ccccc2)nnc1-c1ccccc1 16493533 AAKITKFZSFQJEK-UHFFFAOYSA-N 470.492 6.120 5 40 JKBB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1Cl 106739477 YCWBOVOESCWPEW-GRSHGNNSSA-N 484.873 5.443 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223908580 PYRZFHBRVSGRRM-DQEYMECFSA-N 484.585 5.024 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCOc1ccc(F)cc1 409055149 WOMPWRSLMPCALE-MOSHPQCFSA-N 454.435 5.109 5 40 JKBB Cc1ccc(Cl)cc1-n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21 2248180 DUJODMXUJGBTQL-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21 2253719 GEFOFGFNKRKJBM-UHFFFAOYSA-N 459.981 5.885 5 40 JKBB Cc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nnc2-c2ccccc2F)cc1 2618360 HAZIUINRQVNHLR-UHFFFAOYSA-N 478.505 5.449 5 40 JKBB Cc1cccc(N(C(=O)CCc2ccccc2Cl)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3331759 OPODBFJRUWVTEE-UHFFFAOYSA-N 477.973 6.978 5 40 JKBB COc1cc2c(cc1NC(=O)c1ccc(COc3ccc([N+](=O)[O-])cc3)o1)oc1ccccc12 8455648 SERMPQWYFQFAKW-UHFFFAOYSA-N 458.426 5.927 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C 9058356 GISPFPVXUXPFEA-UHFFFAOYSA-N 487.921 5.218 5 40 JKBB COc1ccc(CCN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 9159003 JWYXYUPHCJWPMN-VWLOTQADSA-N 484.508 5.115 5 40 JKBB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cc([N+](=O)[O-])ccc1OC)CCCC3 11866668 CUZHDBQHNSRRHH-UHFFFAOYSA-N 465.546 6.290 5 40 JKBB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 13058621 AZFPGVXTWWRGIA-BGYRXZFFSA-N 499.563 5.472 5 40 JKBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2cn3cc(Cl)ccc3n2)n1 13109949 YDPVWEKPRIVNOM-UHFFFAOYSA-N 460.924 5.169 5 40 JKBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2cccc(Cl)c2C)c1C 13388459 OXNXQPLDEMXLQF-UHFFFAOYSA-N 487.921 5.218 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 20169397 XHQXZQNNSOIKLI-HSZRJFAPSA-N 452.898 5.068 5 40 JKBB Cc1nn(Cc2ccc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)cc2)c(C)c1[N+](=O)[O-] 39530259 INWHUBPIYMPWCT-UHFFFAOYSA-N 499.358 5.260 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)Nc1ccccc1[N+](=O)[O-] 59474803 LFJURHIPNIMKEG-UHFFFAOYSA-N 498.973 5.841 5 40 JKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225290942 WAXCCNJWVDDGEC-HHHXNRCGSA-N 487.600 5.002 5 40 JKBB CCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409096964 LRCDYVQNBSJVRN-GIJQJNRQSA-N 493.335 5.001 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])N1Cc1ccccc1 409114765 QCHGQRGVDDIMCX-MHZLTWQESA-N 494.507 5.864 5 40 JKBB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409115494 MNOSZXXJXGQDKI-WQRHYEAKSA-N 451.276 5.429 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1cccc([N+](=O)[O-])c1 869934 XMNJDHYZYINOHL-UHFFFAOYSA-N 450.907 5.589 5 40 JKBB C[C@@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2366690 WSACYKVPQBSYMO-KRWDZBQOSA-N 465.944 5.605 5 40 JKBB CCc1cc(Br)c(S[C@@H](CC(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 3127877 ACLDGTMVXJXACO-FQEVSTJZSA-N 476.417 7.088 5 40 JKBB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nc2c1 8590689 HHNOOYGHBAEPCL-UHFFFAOYSA-N 484.556 6.454 5 40 JKBB aggregator O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9635546 PRIHYTISWNXVHD-UHFFFAOYSA-N 483.490 5.484 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 16682308 MAVOXAWQBCUAIB-UHFFFAOYSA-N 484.936 5.526 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 20258335 YRUMQBNGOXJQKM-UHFFFAOYSA-N 498.870 5.463 5 40 JKBB O=[N+]([O-])c1ccc(S(=O)(=O)c2cn3cc(-c4ccc(Cl)cc4Cl)nc3s2)cc1 40461093 HZYNVWOPUBFIST-UHFFFAOYSA-N 454.316 5.111 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(F)cc1Cl 106735270 JIDIDMKFSXWLPF-TVPGTPATSA-N 461.685 5.931 5 40 JKBB CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccc([N+](=O)[O-])c1 167232967 RHSINRFDJUIKHE-UHFFFAOYSA-N 489.582 5.795 5 40 JKBB CC1CC[N+](Cc2ccccc2)(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 252487455 HWJMGWMBLSIEMX-YDJNHXHJSA-N 452.703 6.587 5 40 JKBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Br 408575826 WWFOZBDKASYGRP-IBGZPJMESA-N 477.384 5.074 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409018735 YUZWYBWDKXLJIY-UNOMPAQXSA-N 484.331 5.385 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 4090986 ZCCRVBQKBZSUJG-KPKJPENVSA-N 480.933 5.027 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 8899281 JQFOMYREUJCBLS-UHFFFAOYSA-N 476.920 6.217 5 40 JKBB O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 9200128 GFVRLAAZKCYXPQ-UHFFFAOYSA-N 480.933 5.542 5 40 JKBB O=[N+]([O-])c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)cc2)c1 9426041 UUTJLOUBGDPHBJ-UHFFFAOYSA-N 492.465 5.920 5 40 JKBB CCc1ccc(-c2csc(NC(=O)COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 11276913 LWHAIFUGIHYIFE-UHFFFAOYSA-N 497.576 5.023 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20145344 FXMQCWZQRYNLOU-XYOKQWHBSA-N 464.861 5.912 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 21305963 BAUKTZDDKUSGPB-RUDMXATFSA-N 492.340 5.354 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1 224887294 NPBMPCFBKHGKTC-GOTSBHOMSA-N 492.944 5.786 5 40 JKBB O=C(Nc1ccc(I)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408721705 LIWGSBVYIDLCQE-UHFFFAOYSA-N 464.266 5.121 5 40 JKBB CC(C)c1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408736761 HESQADPMGYPLNW-DEOSSOPVSA-N 461.518 5.194 5 40 JKBB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 9367858 GOSURSSXWVAGGU-UHFFFAOYSA-N 456.357 6.554 5 40 JKBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 9829787 VQVXFWSHKMVGML-YVMONPNESA-N 452.442 5.124 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc3c2=O)c(C)c1 12641786 WIEMQGCDCVBELW-UHFFFAOYSA-N 494.960 5.295 5 40 JKBB CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl 20494238 QBYSZVMEMNQTJI-KGENOOAVSA-N 450.878 5.604 5 40 JKBB CCNc1ccc(C(=O)OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1[N+](=O)[O-] 25395706 RMCIONPEDQTFPG-UHFFFAOYSA-N 457.486 5.225 5 40 JKBB O=C(Nc1ccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 139074661 YPDYVWCGSRFDAD-WKEDTZOBSA-N 491.503 5.296 5 40 JKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 409205474 NOEWDHRFAHELBQ-UHFFFAOYSA-N 472.155 7.400 5 40 JKBB O=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 409334997 NBVZQEDAEQQMCP-UHFFFAOYSA-N 466.504 6.677 5 40 JKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2NC2CCCCC2)sc2c1CCCC2 6089556 TXGTXDCUEGBYFD-UHFFFAOYSA-N 471.579 5.709 5 40 JKBB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c2c1 6631075 OHOUIMLYKAGELX-UHFFFAOYSA-N 490.541 5.343 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)c([N+](=O)[O-])c1 9403935 AJWXWLFQNLDAQN-UHFFFAOYSA-N 494.964 5.239 5 40 JKBB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 10037684 PWAYSOFBORGZQL-UHFFFAOYSA-N 466.541 5.014 5 40 JKBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 12551016 RDMBTKJZRYJHTN-UHFFFAOYSA-N 461.905 5.236 5 40 JKBB CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccccc1 102500771 BMHJHKFLXMKPMF-NFQMXDRXSA-N 453.498 6.165 5 40 JKBB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1c1ccccc1 409326838 FECGAYZBGSGYLZ-SANMLTNESA-N 469.928 6.614 5 40 JKBB O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845309 LLVMVUOTSOTPSX-UHFFFAOYSA-N 461.787 5.229 5 40 JKBB Cc1cc(C)c2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2216398 QIPFVUWSXITDAW-QHCPKHFHSA-N 497.532 5.986 5 40 JKBB CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc12 4149950 XNDDSPLILHZHKS-UHFFFAOYSA-N 468.487 5.089 5 40 JKBB Cc1cccc(OP(=O)(Oc2cccc(C)c2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 8434783 BGMPBAIBOYQEBP-UHFFFAOYSA-N 467.462 5.600 5 40 JKBB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc([N+](=O)[O-])cc1 8916720 PNELLSSBLWAVLX-UHFFFAOYSA-N 487.324 5.837 5 40 JKBB Cc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1[N+](=O)[O-] 8918940 AUOUQWZEHIRRFE-UHFFFAOYSA-N 480.929 6.181 5 40 JKBB CC(=O)Nc1ccc(Sc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 9255090 OIKSUFGRSQHNKA-UHFFFAOYSA-N 471.560 5.122 5 40 JKBB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 10060361 GENXUDAKCMPIJL-GOTSBHOMSA-N 489.919 5.230 5 40 JKBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc2ccccc12 13856557 UHQQHLJUQREWNK-UHFFFAOYSA-N 498.491 5.685 5 40 JKBB O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 34895898 UCWJDHHXSKBUPK-UHFFFAOYSA-N 478.980 5.354 5 40 JKBB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccc([N+](=O)[O-])cc1 408974551 ZPPHUGFJMXIIIZ-XGICHPGQSA-N 453.690 6.114 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Cl)c1 409203513 XNHFBPQOZFFTFT-ZDLGFXPLSA-N 461.282 6.403 5 40 JKBB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 409205786 FSFGBKXZTNJTQE-FLWNBWAVSA-N 491.572 6.737 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)c1ccc(Cl)cc1 409356699 NNGXFPMBECHWCD-ZVHZXABRSA-N 457.938 6.566 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1[N+](=O)[O-] 888197 IBNAPHUWBYQEKN-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccccc3Cl)nc2N1 940783 MOXRJYZGXKLRMF-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 2211114 XZDKBEZJKNBDGG-UHFFFAOYSA-N 490.951 5.734 5 40 JKBB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3)nc2c1 10035086 PTCRWDXHXSCILJ-UHFFFAOYSA-N 467.481 6.786 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12651175 CFSOQTPQWXOXTP-UHFFFAOYSA-N 494.960 5.614 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCc4ccc(Cl)cc4)nc2c31 12891253 ORUIXUZJILYGOQ-UHFFFAOYSA-N 497.938 5.193 5 40 JKBB biogenic CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1[N+](=O)[O-] 14275562 XIORICFZGPMVKC-UHFFFAOYSA-N 490.541 5.545 5 40 JKBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O 26786969 JKMCBRCDWFTBMY-UHFFFAOYSA-N 488.949 5.471 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)OC(C)C)C3=O)cc2[N+](=O)[O-])cc1 32124667 OSDUXJWRCVBZAJ-ODLFYWEKSA-N 472.544 5.042 5 40 JKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 59449298 GKGOCGWECCVESS-UHFFFAOYSA-N 465.487 5.437 5 40 JKBB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1OC 97999039 ONRLLRLMVKSAJY-YPKPFQOOSA-N 470.485 5.198 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1[N+](=O)[O-] 100187066 OPUIDKILAPUACF-SZUBIPLGSA-N 462.505 5.327 5 40 JKBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224228975 WJLYPZQEUHWMEQ-SANMLTNESA-N 487.600 5.001 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1 224887251 NPBMPCFBKHGKTC-XZOQPEGZSA-N 492.944 5.786 5 40 JKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1C 409193132 CLTLCOTUFZGKAQ-RFBIWTDZSA-N 477.973 6.340 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409200538 IASTZPBVOPKZCQ-LFVJCYFKSA-N 490.537 5.461 5 40 JKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845311 BXNNXFGRYDETFD-UHFFFAOYSA-N 496.232 5.882 5 40 JKBB CCCCN1C(=O)c2c(Oc3ccc(NC(C)=O)cc3)cc([N+](=O)[O-])cc2Oc2ccccc21 3620507 RZENDXKMRVOKRF-UHFFFAOYSA-N 461.474 5.898 5 40 JKBB COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1 3764413 QRTJFMLRHUFQOO-RGVLZGJSSA-N 470.890 5.753 5 40 JKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4113417 XVNLDAHYGUOZCH-VQPPSCEASA-N 450.491 5.013 5 40 JKBB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 8926065 UVEFOPZRKZZFEY-VOIUYBSRSA-N 474.473 5.036 5 40 JKBB CCc1cc2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ncnc2s1 9284605 YUOJFJHTJGKRNL-VIFPVBQESA-N 456.471 5.300 5 40 JKBB O=c1c2c3c(sc2nc(SCc2ccc(F)c([N+](=O)[O-])c2)n1-c1ccccc1)CCC3 12377076 JIGNQGUHOJTACB-UHFFFAOYSA-N 453.520 5.276 5 40 JKBB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 12659813 GOKGFYZZIFKSGO-UHFFFAOYSA-N 483.937 5.353 5 40 JKBB Cc1nc2ccccc2c2c(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)c3ccccc3n12 14912664 CPQKOTSFNJJWDJ-UHFFFAOYSA-N 492.988 5.105 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(C)cc1 16292474 LDGAJPABRSBMHP-UHFFFAOYSA-N 455.942 5.346 5 40 JKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 21580623 LULKCLZPHXWIPH-NTCAYCPXSA-N 480.480 6.059 5 40 JKBB Cc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)cc1 22257331 RIHXBJLAJZHIDD-UHFFFAOYSA-N 464.522 5.002 5 40 JKBB O=[N+]([O-])c1ccn(Cn2nc(-c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)n1 22740471 WQYHOKKXAKBOHO-UHFFFAOYSA-N 483.142 6.441 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294148 MOERZROHZRESTN-UHFFFAOYSA-N 467.865 6.663 5 40 JKBB O=[N+]([O-])c1cccc(CSc2nc3n(n2)[C@H](c2cc(F)cc(F)c2)C2=C(O)CCCC2=N3)c1 102701409 QXMJJZMTQAOYQJ-HXUWFJFHSA-N 469.473 5.428 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224415214 JLWJLQNXIDPMMG-BJKOFHAPSA-N 490.516 5.575 5 40 JKBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1[N+](=O)[O-] 408645411 USKUTWQVKPYHQB-NRFANRHFSA-N 481.508 5.840 5 40 JKBB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1 408658931 VGNCVYFHMOGWCZ-UZLBHIALSA-N 492.915 5.083 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 408996077 NXYCPSGNYOWSMV-UHFFFAOYSA-N 452.422 5.222 5 40 JKBB CCCCn1c2ccc(Br)cc2c2nc3cc(OC(C)C)c(OC(C)C)cc3nc21 2690679 KVISWBZUXKVKQC-UHFFFAOYSA-N 470.411 6.875 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/c2ccc(Br)cc2)N=C1C1CCCCC1 8437373 NWMIONKLJCCEOT-MOSHPQCFSA-N 468.351 6.032 5 40 JKBB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 8831969 SFGYJXGJCUVEAE-UHFFFAOYSA-N 470.529 6.379 5 40 JKBB COc1ccccc1N(C(=O)c1ccccc1OC(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 13149205 GQGDFXWOSILEMW-UHFFFAOYSA-N 497.479 6.307 5 40 JKBB CCCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 13896437 VRKCRZDKCLAYNW-UHFFFAOYSA-N 482.385 5.388 5 40 JKBB Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2cc1C 22562646 LWXZZBUNDDVZQG-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB CCN1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2Cl)CC1 57313249 KNPSQTVTEOYFLC-UHFFFAOYSA-N 479.389 5.511 5 40 JKBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1[N+](=O)[O-] 408576480 VZCORRVETRSQNV-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408750999 VFCVHIPYESGCQO-CALCHBBNSA-N 453.545 5.176 5 40 JKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 1212460 CRGLESUARFMDBY-OPIFHRFKSA-N 478.504 5.027 5 40 JKBB O=C(O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 8628857 XTTSYMYBNFJCMV-VWLOTQADSA-N 484.577 6.185 5 40 JKBB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c2)N3)C1 8874888 GIERNEQTXVUWNK-GTJPDFRWSA-N 480.502 5.336 5 40 JKBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 8895902 ROCJPYSJHHZPCQ-UHFFFAOYSA-N 486.937 5.374 5 40 JKBB O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)Nc1nnc(C2CC2)s1 9716187 LNCJWRNFLFZEAN-PTNGSMBKSA-N 463.544 5.503 5 40 JKBB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 13946048 URYKSZSDIYCCQQ-UHFFFAOYSA-N 467.481 7.039 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)o2)cc1Cl 19894082 NBXCFDSBRWQRDD-RMKNXTFCSA-N 486.355 5.832 5 40 JKBB CNc1ccc(/C=C(\Cl)c2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)cc1[N+](=O)[O-] 21190952 LKZLLUPHVWATPI-GDNBJRDFSA-N 452.923 5.647 5 40 JKBB COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 21595472 RHEACFOVDFBEPM-UHFFFAOYSA-N 494.573 5.406 5 40 JKBB COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[N+](Cc3ccccc3)(Cc3ccccc3)CC1)C2 22058265 UDDYCDNLGYWNNO-MHZLTWQESA-N 470.633 6.076 5 40 JKBB in-vitro Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(Cl)cc1 408565654 CRCNMKGRVCYASF-HSZRJFAPSA-N 480.977 5.918 5 40 JKBB COc1ccc(N(C)C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408976030 OPURHAURVIPPTH-UHFFFAOYSA-N 476.565 5.721 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1CC1CCCCC1 409130575 WLBKEZCZJWZZQL-ODLFYWEKSA-N 491.363 6.234 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1-c1nc(O)c2c3c(sc2n1)CCCC3 409267766 XNBAAOIOBDBPTQ-UHFFFAOYSA-N 487.459 6.662 5 40 JKBB COc1ccccc1NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 861758 PHNIIVSWSHESJJ-UHFFFAOYSA-N 471.922 5.312 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 1166669 PXKSZLNWUBATKZ-KWUUDPFMSA-N 462.505 5.327 5 40 JKBB Cc1cc(O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1 13739579 TUZVYQDYGIFYJY-IBGZPJMESA-N 476.432 5.939 5 40 JKBB COc1cc2nc(SCc3cccc([N+](=O)[O-])c3)n3nc(-c4ccccc4)nc3c2cc1OC 20216177 VUWGMDKUYJTOPJ-UHFFFAOYSA-N 473.514 5.162 5 40 JKBB O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3)c[nH]c2c1 59459169 LWJDESNEOANBHO-UHFFFAOYSA-N 496.379 6.923 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)n1 98087415 WZHHHDJSUCNATG-HNQSBVEISA-N 455.518 5.248 5 40 JKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 102641367 PJIDXJPELPNMDQ-HHHXNRCGSA-N 485.540 7.057 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1 214488704 HZOOWIVRQCMJEO-YBFXNURJSA-N 483.889 5.183 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1 224623855 JBAJRQOQGINFID-DHIUTWEWSA-N 458.499 5.133 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F 224916719 IUJUNNAEZSIYKP-ZEQRLZLVSA-N 474.517 5.874 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 408557616 PLXZWOGOAJWCEI-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 408567606 GYBGJKBVLCMBEU-VWLOTQADSA-N 490.585 5.664 5 40 JKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O 409015657 SVLICWPPKVAXKS-NJDFMEINSA-N 473.463 5.139 5 40 JKBB COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409222272 WLVMZYDDQRXLOY-WOJGMQOQSA-N 482.436 5.479 5 40 JKBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1 409336854 WWMMTHYAEJRGEY-LJQANCHMSA-N 486.604 6.066 5 40 JKBB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C 898914 OOPYBSLCDAZIRL-KBMIEXCESA-N 457.530 5.908 5 40 JKBB CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2264601 QWOGAQUXLROIIM-QHCPKHFHSA-N 493.581 5.006 5 40 JKBB CCOC(=O)C1=C(C)N(c2cccc(Cl)c2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 2278332 JCLXFWOQCFTQBD-UHFFFAOYSA-N 484.936 5.526 5 40 JKBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 8781703 NJELYXYHXWNSKB-UHFFFAOYSA-N 474.800 5.222 5 40 JKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)c1 8871109 YWJRVWJLOMIELV-UHFFFAOYSA-N 479.971 5.911 5 40 JKBB CCc1ccc(CNc2nc(NCc3ccc(CC)cc3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 9847134 SNIHFXNSXNSMNA-UHFFFAOYSA-N 484.560 5.224 5 40 JKBB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060378 SIRVFMMLQMZYMZ-PKTZIBPZSA-N 489.919 5.230 5 40 JKBB COc1cc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(C)cc1[N+](=O)[O-] 16043752 UXLSUJXNXVULNZ-UHFFFAOYSA-N 475.526 5.965 5 40 JKBB CCCc1cc(-c2nc(-c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cs2)ccn1 24522893 FUNOQOCDUPRYBB-UHFFFAOYSA-N 451.935 7.179 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223908453 MSNCLIWOUGEEPQ-LOSJGSFVSA-N 484.585 5.024 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1c[nH]c2ccccc12 408569523 JKBWRQCWHRIMKA-FQEVSTJZSA-N 496.317 5.826 5 40 JKBB CCOc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408755281 CUEPWFWDFLBOOI-UHFFFAOYSA-N 487.899 6.344 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Br)cc(CO)cc1Br 409109848 MRVJWMYMUWNYGV-UHFFFAOYSA-N 471.023 5.423 5 40 JKBB Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 8983730 QFEYKZHHESRALC-NTCAYCPXSA-N 465.469 5.549 5 40 JKBB CCCCCC(=O)Oc1cn(CCCCC)c2nc(CCCCC)n3c4ccccc4nc3c12 9123953 GTJFSSSEOLAFPD-UHFFFAOYSA-N 462.638 7.246 5 40 JKBB CCOc1ccccc1[C@@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 9847162 OHMUBFMYNMYPJM-LJAQVGFWSA-N 493.563 6.355 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 9948547 XOBPRBQMRZXOJA-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1Cl)CC2 11726265 GSASFJNEUPXTAA-QFIPXVFZSA-N 482.920 5.084 5 40 JKBB CC(C)c1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 12401727 RLSFTSJROQSRGE-SANMLTNESA-N 486.572 7.337 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 13382216 YLKBXPVLXQNYQN-UHFFFAOYSA-N 477.860 6.263 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-] 16610819 IETZOBDZSHAQBN-INIZCTEOSA-N 459.502 6.568 5 40 JKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22532670 UEGCDZWZJXEGNE-UHFFFAOYSA-N 451.866 5.934 5 40 JKBB Cc1c(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] 89540514 WCZARGGNNWYEED-UHFFFAOYSA-N 458.392 5.385 5 40 JKBB O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccc([N+](=O)[O-])cc2)C1 101094077 QTELSKJARTZQOU-FQEVSTJZSA-N 489.329 5.305 5 40 JKBB C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N1[C@@H](C)CCC[C@H]1C 107078254 FCUDTFSZOAMCDU-KSZLIROESA-N 465.579 5.113 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224322077 JLGWIBLGYKILSP-DQEYMECFSA-N 470.554 6.044 5 40 JKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-] 409177378 GBPHKKMIKFMCSZ-JZKJUIAGSA-N 466.468 5.157 5 40 JKBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)cc1 2247543 DIPCKVGEUZBNQF-UHFFFAOYSA-N 475.552 5.016 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 6297376 CONHCSICRSXMBL-UHFFFAOYSA-N 494.554 5.016 5 40 JKBB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)CCCn1nc([N+](=O)[O-])c(Cl)c1C 9673307 QTZCIXGMWAAWGN-UHFFFAOYSA-N 499.786 5.340 5 40 JKBB CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])CC1 12311753 ZBTOXHYMMPVMSD-AWEZNQCLSA-N 480.348 5.322 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc(CSc3nnc(CCc4ccccc4)n3-c3ccccc3)cs2)cc1 12376345 TZYMMVLVVUWCFT-UHFFFAOYSA-N 499.621 6.377 5 40 JKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1 16691983 XAMMNIYJZQEUEI-UHFFFAOYSA-N 496.932 5.582 5 40 JKBB O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22749595 XAFKTNGKYDNSHQ-UHFFFAOYSA-N 491.510 5.389 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(Br)cc1 106723393 OYGNPAXQCSGEIW-UUASQNMZSA-N 488.146 5.901 5 40 JKBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223445936 GMZYFTCXYNFXGF-DQEYMECFSA-N 486.553 5.431 5 40 JKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224906320 VPKATHOOARWANZ-INIZCTEOSA-N 492.403 5.310 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917035 LEJLWVZEUKSXDB-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 408925113 MIYKKTYRMBOCMX-LFIBNONCSA-N 473.510 5.201 5 40 JKBB O=C(Nc1cccc(Cl)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409092346 UURPLWYIYQJGQB-UHFFFAOYSA-N 479.923 7.383 5 40 JKBB CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(CC)cc3)c(=O)c2c1C 409120855 WJGBRTNIBWOXTN-UHFFFAOYSA-N 479.627 6.471 5 40 JKBB C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2623332 SGDVPBRMZSQENQ-CYBMUJFWSA-N 485.978 5.677 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 6194273 SMXJYDDLHZEYEQ-UHFFFAOYSA-N 451.552 5.262 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)c(C)c1 8900392 NKOJBHPNHODUFE-UHFFFAOYSA-N 492.967 5.697 5 40 JKBB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 9288968 QHTACXMXULEXMG-GOTSBHOMSA-N 489.919 5.230 5 40 JKBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9347653 FXDNQQOMWMAKBR-RUZDIDTESA-N 487.541 5.079 5 40 JKBB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9791000 DARFXRGAMXMFCS-UHFFFAOYSA-N 458.767 6.017 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 13563464 VKUSKNXDPNRQGL-UHFFFAOYSA-N 492.465 5.920 5 40 JKBB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13856564 ZPDLWUVCEPITCB-UHFFFAOYSA-N 476.485 5.149 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1 224623902 JBAJRQOQGINFID-PKTZIBPZSA-N 458.499 5.133 5 40 JKBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224845731 HXRWEJWAOSVBGK-MUUNZHRXSA-N 499.611 5.145 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1 409118641 QDPOLUPVIJRJFN-HHHXNRCGSA-N 483.955 6.610 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 409172612 DNYMBDNTTCTCHQ-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 1805017 AVUUYSXBEQWUNX-DEOSSOPVSA-N 498.535 5.469 5 40 JKBB biogenic CCCCc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 2345873 OULCGHUOMYFAOR-UHFFFAOYSA-N 468.601 6.854 5 40 JKBB Cc1ccc(Oc2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 8826754 YBCMCZCBTQSOFO-UHFFFAOYSA-N 495.451 5.569 5 40 JKBB CC(C)Oc1cc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 8855317 HSLKEKCFNIKVPI-UHFFFAOYSA-N 467.330 6.795 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 9518367 SMSDXEPVQKQIJQ-UHFFFAOYSA-N 485.374 5.744 5 40 JKBB O=c1sc2ccccc2c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2sc1=O 15947209 CFKNJYXXTXVLEE-UHFFFAOYSA-N 489.530 5.336 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 22566953 LGHODBAFVYVBSE-UHFFFAOYSA-N 459.506 5.241 5 40 JKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 44086561 ZERSOLXWTFYTQO-UHFFFAOYSA-N 478.961 6.140 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225053185 OGVSHSGEWHNHLC-UIOOFZCWSA-N 498.612 5.255 5 40 JKBB CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O 409344992 JXLKJSYAIUFLMC-VCHYOVAHSA-N 482.436 5.861 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O 1162785 NQEFNFKYYXQUOE-UHFFFAOYSA-N 491.301 5.114 5 40 JKBB O=C(CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474803 BRZOAYULTOCENM-UHFFFAOYSA-N 494.964 5.172 5 40 JKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 8450173 RXMDQFRLQSORPD-WPSZSDGUSA-N 467.518 5.252 5 40 JKBB Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 9127381 GTZKAWBIPUBBIE-XMMPIXPASA-N 499.596 5.893 5 40 JKBB CCCCCC(=O)Oc1cn(Cc2ccccc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9243784 ULLCTYFMCNNFSK-UHFFFAOYSA-N 482.628 7.104 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 9289048 FZYWEMXLWQDXTE-YADHBBJMSA-N 459.893 5.221 5 40 JKBB CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 11614322 OBLXETFMZMABFM-QFIPXVFZSA-N 499.504 5.459 5 40 JKBB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1ccc2sc3ccc(Cl)cc3c(=O)c2c1 12462423 RHVRTQYBJVBRPC-UHFFFAOYSA-N 499.013 5.304 5 40 JKBB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 15304553 UESNLMFVLGOABL-FYJGNVAPSA-N 478.888 5.570 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(Cc3ccccc3)C(=O)N=C2O)[C@H]1CCC 16994565 FXMQFUVZDQRIIR-GJZUVCINSA-N 478.549 5.031 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 105346134 QEKIEKMHKQUNFP-KALPRAJFSA-N 499.592 5.030 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214045816 RTEVJCYYNWYURE-OEAKJJBVSA-N 476.510 5.419 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1c(F)cccc1Cl 215112787 JZBXORFNGQOMJV-VXLYETTFSA-N 458.854 5.884 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215254586 ZKHAYTPQLUVJGT-LPYMAVHISA-N 464.474 5.549 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 408575108 WAMGGLFWHFMJGV-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 408575895 WZQOADKRMZGLCI-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB Cc1cccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)c1 409178874 OBLHFOCTQNTCPO-NDEPHWFRSA-N 481.504 6.263 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cn2nnc3ccccc32)cc1 409181082 VQVYGTJZUCAQRI-MHZLTWQESA-N 492.491 5.169 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1 2253303 CFKAWQSGMDNGNX-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 2641133 UWNZUKIHHDZWCO-AREMUKBSSA-N 459.509 6.706 5 40 JKBB COc1ccc(-c2cc(-c3ccccc3)nc3sc(-c4ccccc4[N+](=O)[O-])c(N)c23)cc1 6157203 ABQTWNDGHIWZEL-UHFFFAOYSA-N 453.523 6.796 5 40 JKBB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8832278 QQQNCBOVHDMZGJ-UHFFFAOYSA-N 464.497 5.034 5 40 JKBB COc1ccc(C(=O)Oc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 9234720 NIULFTDLANXXMG-UHFFFAOYSA-N 463.445 5.169 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 22710566 AVKGYMPNQKEBPG-OAHLLOKOSA-N 474.542 6.043 5 40 JKBB O=c1c2ccccc2c2ccc3c(=O)c4c(Br)ccc(Br)c4c4ccc1c2c34 31302488 XMDMAACDNUUUHQ-UHFFFAOYSA-N 490.150 6.574 5 40 JKBB in-vitro O=C(O)c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 59417543 UYJSFMVSDPMWEE-UHFFFAOYSA-N 465.512 5.447 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(F)cc1 408571295 OHFILAUUPJFIBZ-HSZRJFAPSA-N 482.512 5.543 5 40 JKBB CCCCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O 408758232 XCWBRDWDXSSREK-UHFFFAOYSA-N 468.307 5.650 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 409337174 YJEQHLMUUXJQDG-UHFFFAOYSA-N 461.441 5.432 5 40 JKBB COc1ccc(OC)c(NC(=O)CSc2nnc3c4ccccc4c4ccccc4c3n2)c1 2117918 GGSHYWYSRDNVOT-UHFFFAOYSA-N 456.527 5.079 5 40 JKBB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1)c1cccc([N+](=O)[O-])c1 2666302 NGCKTOFIGQYYFF-UHFFFAOYSA-N 489.789 6.260 5 40 JKBB biogenic O=C(OCc1ccc(F)cc1Cl)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3418141 JNQHVDDSKVAJBU-UHFFFAOYSA-N 485.842 6.914 5 40 JKBB COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC 8974441 QDIXKEGDBTYJGN-WSZJRCBQSA-N 490.943 5.253 5 40 JKBB CC(C)C(=O)Oc1cn(Cc2ccccc2Cl)c2nc(C(C)C)n3c4ccccc4nc3c12 9124155 UYHITLVCIVUKJB-UHFFFAOYSA-N 460.965 6.224 5 40 JKBB CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1 9971546 BCUAGSUHWSRQJN-JLHYYAGUSA-N 476.514 5.855 5 40 JKBB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 10212902 AVUUYSXBEQWUNX-XMMPIXPASA-N 498.535 5.469 5 40 JKBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 14269970 MOYUWCVKLGPFNY-UHFFFAOYSA-N 466.302 5.297 5 40 JKBB O=c1c2ccc(C3=C[C@@H](c4ccccc4)NN3c3ccccc3)c3cccc(c32)c2nc3ccccc3n12 16478278 FENKRRQVHGYMOU-NDEPHWFRSA-N 490.566 6.699 5 40 JKBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20611113 KEYIJRNEWGAOAR-UHFFFAOYSA-N 481.896 5.897 5 40 JKBB O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)CC1 22481646 MNVRMEVEBVSTBK-UHFFFAOYSA-N 495.608 5.005 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 32109341 OBYXFQVHSMFXMM-UHFFFAOYSA-N 480.933 5.800 5 40 JKBB CC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@H]2c2ccccc2)nc1C 51330472 VWNTXEPDNSTILT-QYVIRCEGSA-N 472.570 6.363 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc(Cl)cc1 102129681 CGCYAGBDMYXIFT-UHFFFAOYSA-N 492.231 5.714 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1c1ccccc1 102723453 YAGSEIQCOXLKEW-GVAUOCQISA-N 497.532 5.374 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F 408571166 NYUNAUQNGKBSPK-LJQANCHMSA-N 499.336 6.066 5 40 JKBB CC(C)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408617543 COQFKKUYKLVWPL-UHFFFAOYSA-N 463.715 6.646 5 40 JKBB O=C(Nc1ccc(Oc2ccc(Cl)c3cccnc23)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 652182 PMZHIWHZZZSBNI-UHFFFAOYSA-N 454.269 6.494 5 40 JKBB COc1cc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc([N+](=O)[O-])c1 865650 OMVSFQSHWFIUJW-HOTGVXAUSA-N 495.845 5.366 5 40 JKBB Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 1099237 VPTPKAFUFZLPHJ-UHFFFAOYSA-N 474.480 6.040 5 40 JKBB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1C 1411786 HOFOQOGWGNJTKR-UHFFFAOYSA-N 453.454 6.532 5 40 JKBB O=[N+]([O-])c1cc(Cl)ccc1NC(Nc1ccc(Cl)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 5119358 JRWNTZAWAATZKL-UHFFFAOYSA-N 474.515 6.030 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2c4ccccc4cc4ccccc24)N3)C1 15945732 VLJOFPOFJPMNBW-BCHFMIIMSA-N 454.639 8.025 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C 409153949 JBVCFVNEGGFTQB-FBHDLOMBSA-N 486.908 6.501 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c(C)c1 409182446 KYKHBUFTQDAHPZ-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 409335575 KIOPJEAFCNTYIZ-ZPTXYVIGSA-N 460.961 7.124 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2304241 TYKMPPRSAWRBBI-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N12 2964270 JBYJXMCRALILBD-HSZRJFAPSA-N 481.537 5.211 5 40 JKBB O=Cc1cc(Sc2nc3ccccc3s2)c(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3284939 PUXWUBDGZYZOLM-UHFFFAOYSA-N 481.605 6.929 5 40 JKBB C[C@@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3297517 ZCMRRPHTCNJONO-MRXNPFEDSA-N 460.442 5.104 5 40 JKBB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1[N+](=O)[O-] 8899624 ZOGGUASQNCOFJF-UHFFFAOYSA-N 475.501 6.186 5 40 JKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3Cl)nc2c1 16268725 FYVWFXHWOMSHFK-UHFFFAOYSA-N 494.960 6.108 5 40 JKBB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57316035 WZBUFNMRUSKHBT-UHFFFAOYSA-N 468.762 6.753 5 40 JKBB CCOc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 104171175 HSJXQVJBZXRPMR-IZHYLOQSSA-N 490.497 5.162 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1 224218874 BLKGSFTYAPIOCW-DQEYMECFSA-N 486.553 5.744 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224348162 SHQOOYOHLJRIJG-RPBOFIJWSA-N 470.554 5.989 5 40 JKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 408816886 UXDFEXWRIHNOEQ-UHFFFAOYSA-N 454.915 5.888 5 40 JKBB Cc1ccc(N2C(=O)c3ccc(C(=O)OC(c4ccccc4)c4ccccc4)cc3C2=O)c([N+](=O)[O-])c1 409180586 XNLVNPLCQDMTBK-UHFFFAOYSA-N 492.487 5.650 5 40 JKBB CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 1567995 QERFQVNVCOEHSF-DEOSSOPVSA-N 485.512 7.966 5 40 JKBB CC(=O)Nc1ccc2c([N+](=O)[O-])cccc2c1-c1c(NC(C)=O)ccc2c([N+](=O)[O-])cccc12 1610573 HJROUXUOYTYMDG-UHFFFAOYSA-N 458.430 5.393 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2251650 NCNARAWWTYAASN-UHFFFAOYSA-N 451.574 5.968 5 40 JKBB CCCCCCN(CCCCCC)[C@H](C)[C@H](O)c1cc(C)c2ccc3cc(C(C)C)ccc3c2c1 4416730 HYENTMFFSJYOKN-NYFMKLKXSA-N 475.761 9.309 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 8899973 PAMSXLLXCIWTRD-UHFFFAOYSA-N 478.291 7.115 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9141027 HXCGNQBDTNYVEH-HXUWFJFHSA-N 476.876 5.146 5 40 JKBB Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2cc1C 14272386 OYMPKUZELVFQSA-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC 215280312 SBHNNVLPAXYRMC-LICLKQGHSA-N 493.335 5.001 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224245318 RYOXJGODGZGYHI-ZEQRLZLVSA-N 455.543 5.266 5 40 JKBB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl 225538780 SKGOHYOCHKJBOE-UHFFFAOYSA-N 474.985 6.283 5 40 JKBB CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408758006 UEOFYMPNEVQZEI-UHFFFAOYSA-N 486.915 6.012 5 40 JKBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(OCc2cccc3ccccc23)c1 409176685 UYGFAKINULAWHT-MFKUBSTISA-N 450.450 5.672 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(F)cc4)c(C)nc32)cc1 2400805 UXCCYEMFFWAHFH-UHFFFAOYSA-N 463.516 5.342 5 40 JKBB CC(C)(C)c1ccc(C[C@@H]2CCC[N+](Cc3ccccc3)(Cc3ccc(C(C)(C)C)cc3)C2)cc1 4105063 JXZGMDYNCUEGNH-KIYCQYGCSA-N 468.749 8.451 5 40 JKBB CC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc43)c2C1 8870272 PLMOJASCBBUNBP-INIZCTEOSA-N 478.570 6.446 5 40 JKBB O=Cc1cc(Br)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 9296555 IVXUFQLAWKQOKF-UHFFFAOYSA-N 469.007 5.743 5 40 JKBB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060372 OOEIMQMERFZRNK-DHIUTWEWSA-N 489.919 5.230 5 40 JKBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)ccc1[N+](=O)[O-] 21305748 MEIWYTZBCIZEJG-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB Cc1[nH]c(CN(C)C(=O)c2ccccc2CCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 89547817 DUOOXLJVAJJLDI-UHFFFAOYSA-N 454.530 5.351 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl 214426746 JFPBHGMONZBKKQ-VXLYETTFSA-N 475.309 6.398 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224879054 ILDRYYWQAOJYQP-PKTZIBPZSA-N 491.960 5.317 5 40 JKBB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 861592 NUNDBRDLNXTGMM-UHFFFAOYSA-N 496.306 6.666 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)n1ccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1 1389984 CKFHQPTUEQMSQA-UHFFFAOYSA-N 451.841 5.518 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)no1 2241337 YGGZQMWPTTUPSZ-OAQYLSRUSA-N 477.303 6.299 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(CC)nc32)cc1 2279191 IOFOVOJKHNYRHG-UHFFFAOYSA-N 489.579 5.487 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccc(Br)cc4)n3)o2)c(Cl)c1 2670996 WHYONLMNCRNCMH-UHFFFAOYSA-N 476.739 7.138 5 40 JKBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1NC(=O)c1ccccc1 9056528 MUGKDTUXCZMKBK-UHFFFAOYSA-N 455.470 5.976 5 40 JKBB COc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c(OC)c1OC 9187544 IHFRHVIAQJRZSE-QFIPXVFZSA-N 498.491 5.018 5 40 JKBB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 14291163 OOJOEQPGCSJLDU-UHFFFAOYSA-N 496.951 5.065 5 40 JKBB CCOc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c([N+](=O)[O-])c1 15913555 IAZKRVXGYNRUBQ-UHFFFAOYSA-N 496.976 5.776 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 16712760 RLCNEUHRBRXQCF-UHFFFAOYSA-N 476.540 5.322 5 40 JKBB CC(C)(C)[C@H]1C/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nc3ccccc3c(C(=O)O)c2C1 32642152 FKOPLOOTGFGVAS-DGDHUYAWSA-N 482.536 7.250 5 40 JKBB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 101330359 SQRLQNIHFKXXBQ-UHFFFAOYSA-N 470.868 6.427 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F 224916893 ZLTASYFHRDQFNC-ZEQRLZLVSA-N 474.517 5.874 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c([N+](=O)[O-])cc1OCc1ccccc1 408989553 LFISFLSUJOIHPV-UHFFFAOYSA-N 477.542 5.829 5 40 JKBB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 2260858 BTPJAGLGMDQWSP-NYHFZMIOSA-N 496.516 5.213 5 40 JKBB aggregator O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1CCc1ccccc1 2365173 IZXIZKSTPVKXAT-UHFFFAOYSA-N 451.917 5.180 5 40 JKBB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 5048641 YKZRCHFYEHSOOM-UHFFFAOYSA-N 470.091 6.582 5 40 JKBB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1C 8824564 APFVLULHKFUYMV-UHFFFAOYSA-N 480.575 5.176 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cccc1[N+](=O)[O-] 8832798 LIXACAMONMWYDG-UHFFFAOYSA-N 474.498 5.029 5 40 JKBB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 8833302 MAULISZOHVJFTA-QPJJXVBHSA-N 492.340 5.697 5 40 JKBB CCOC(=O)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)c1-c1ccccc1 8857064 SMFWZDLXINYISU-UHFFFAOYSA-N 473.554 5.981 5 40 JKBB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C1 13149717 AFUZYBGUISFZGN-HNNXBMFYSA-N 495.963 5.743 5 40 JKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 22745048 BSZMJAYVQNDKHP-UHFFFAOYSA-N 487.339 6.234 5 40 JKBB Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 41091581 OLMDNTAOTIATTO-UHFFFAOYSA-N 490.951 5.533 5 40 JKBB COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c([N+](=O)[O-])c1 103139073 QGQCWVVGNQUULV-SSZFMOIBSA-N 499.479 5.027 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 105346136 QEKIEKMHKQUNFP-YKKMPQLRSA-N 499.592 5.030 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 222212902 UONBRFZFOXFKSP-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224411408 FFPFBANLKWGVAP-NRFANRHFSA-N 492.403 5.310 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccccc1 408574461 UVQOKGJONBWBCV-QHCPKHFHSA-N 464.522 5.404 5 40 JKBB CCCCN1C(=O)c2cccc3c(-c4ccc(Br)cc4C)c([N+](=O)[O-])cc(c23)C1=O 408757630 OCOGQSWFWYISJD-UHFFFAOYSA-N 467.319 5.882 5 40 JKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 409173853 NZSYBZDURDXADZ-PCLIKHOPSA-N 466.562 6.230 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C 1771124 PYTSDODCSZRKGK-DWACAAAGSA-N 499.611 7.079 5 40 JKBB Cc1cc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 1862526 DXXQDDFBMOUGDL-UHFFFAOYSA-N 456.323 5.212 5 40 JKBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2441973 VZJYWXAIWLLLJX-UHFFFAOYSA-N 481.478 5.037 5 40 JKBB O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 2678494 OHTSSGNAFMDSCC-AWEZNQCLSA-N 456.635 5.152 5 40 JKBB CC(C)(C)c1ccc2[nH]c3c(cc(Nc4ccccc4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 6075553 JIFDCIJITNUFLH-UHFFFAOYSA-N 460.533 6.982 5 40 JKBB COc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc2ccccc2c1Br 8833231 QOWUNSHTQASMQG-UHFFFAOYSA-N 494.754 5.299 5 40 JKBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8901498 LNJQSNMTOFNJHQ-UHFFFAOYSA-N 496.523 5.070 5 40 JKBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1c(Cl)cccc1C(F)(F)F 9634173 HNZJBGSSVKRFEN-UHFFFAOYSA-N 485.846 5.053 5 40 JKBB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 12566692 RZIIUUSVWLHGNR-UHFFFAOYSA-N 493.566 5.768 5 40 JKBB COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1OC 14272477 GVLDDRKFPFUPFK-UHFFFAOYSA-N 451.460 5.248 5 40 JKBB c1ccc2c(/N=c3\oc4ccc5ccccc5c4cc3-c3nc4ccccc4s3)cccc2c1 16526187 PHVLGLMGNUEIQK-YCNYHXFESA-N 454.554 8.248 5 40 JKBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 21576636 INJKSOPTPZWELZ-UHFFFAOYSA-N 496.951 5.209 5 40 JKBB CN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(F)cc1 28209154 XMVPUMXVHDLKTO-UHFFFAOYSA-N 485.518 5.026 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc([N+](=O)[O-])c1O 106718029 COXBYPBRYRDLIJ-PXNMLYILSA-N 469.302 5.242 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 408603017 AHHQNQSNYFQSBY-UHFFFAOYSA-N 461.287 5.696 5 40 JKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 408816407 RTPJXLGWENIERB-UHFFFAOYSA-N 496.952 5.599 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]12 408919639 ZLVBFZBJBQIABB-MSVKLTOBSA-N 452.510 5.172 5 40 JKBB O=C(Nc1ccc(CSc2ccccc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408920231 CITANXUEWBKXPY-ZXVVBBHZSA-N 466.562 7.066 5 40 JKBB COc1cc(NC(=O)CSc2ncnc3c2sc2nc4c(C)cc(C)cc4cc23)cc(OC)c1 1327855 UVZXOPMNLYONMV-UHFFFAOYSA-N 490.610 5.758 5 40 JKBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 3844727 VYEOHMXBLIEAPS-HZPDHXFCSA-N 464.430 5.339 5 40 JKBB biogenic COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1-c1ccc(C)cc1 6280111 ZWSZMPXCRJZCJZ-UHFFFAOYSA-N 489.557 5.199 5 40 JKBB O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9209922 NEQWCIJYNLWUAJ-WMZHIEFXSA-N 494.301 5.328 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 10060337 SSSIKNJYRHICSS-VXKWHMMOSA-N 459.893 5.221 5 40 JKBB O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 12542852 HQELRTGZJRYCOD-UHFFFAOYSA-N 493.825 5.806 5 40 JKBB CC(C)(C)[C@@H]1C/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nc3ccccc3c(C(=O)O)c2C1 32642148 FKOPLOOTGFGVAS-LRXXLLMYSA-N 482.536 7.250 5 40 JKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 408570916 MHTOKVVCFAWQMR-RUZDIDTESA-N 490.585 5.664 5 40 JKBB O=C(COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(-c2ccccc2)cc1 408620277 LMQCPTRPKBKJEC-UHFFFAOYSA-N 461.857 6.215 5 40 JKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 409021556 NGOSLDDOWJTKNE-WQRHYEAKSA-N 488.999 6.697 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 409179496 RSQAFCCROGIRBW-UHFFFAOYSA-N 466.537 7.215 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1CCc1ccccc1 409214352 USQGXYKMESCAPU-XQNSMLJCSA-N 460.511 5.453 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2062601 FTNKRSLMMICOKS-UHFFFAOYSA-N 454.398 5.717 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)ccc4C)cnc32)cc1 2218352 LRWPEJZWSOCILT-UHFFFAOYSA-N 473.580 6.232 5 40 JKBB COc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2[N+](=O)[O-])cc2ccccc2c1Br 8833223 GVCPTJJEWIWBEQ-UHFFFAOYSA-N 494.754 5.299 5 40 JKBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 9328788 BITHNFCOBAMDHH-VSKRKVRLSA-N 498.322 5.261 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 9500009 BXZWSGLNCZWANP-LJQANCHMSA-N 465.922 5.505 5 40 JKBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1 15906013 VEUAXRPUKZBLMR-RCZVLFRGSA-N 494.509 5.601 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 16401803 FQSYJJZEBWJYGZ-UHFFFAOYSA-N 474.330 5.277 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc2ccccc2c1 98087029 SZANDLZXIGUWQM-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224777153 APUJHNRXTCVTPC-FQEVSTJZSA-N 480.392 5.024 5 40 JKBB COCCN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409199985 GHOHGBPBMNMAQP-LICLKQGHSA-N 468.409 5.089 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3255019 CSTORNYILUYGDK-INIZCTEOSA-N 487.541 5.242 5 40 JKBB CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1O 6821247 MDCURFQRCYUXBP-JOCHJYFZSA-N 456.583 6.472 5 40 JKBB Cc1cccc(Nc2nnc(S[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3)s2)c1 12568772 UGQXNMCXVWIEON-NRFANRHFSA-N 491.598 6.279 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc3ccccc3n2)n1-c1ccccc1 14945366 ZOCVMHDPWOXALU-UHFFFAOYSA-N 496.552 5.430 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492249 ZEPGBCBHVNNOBF-UHFFFAOYSA-N 487.415 6.995 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1[N+](=O)[O-] 16693028 YMOAPZJUOUUZAG-UHFFFAOYSA-N 464.861 5.673 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccc(Cl)cc3)cc2N1 72332704 XICJFWSZEKTRQH-RUZDIDTESA-N 485.931 6.039 5 40 JKBB COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 72332814 DOTASAVNOLKOGW-BTZRARBUSA-N 494.696 6.125 5 40 JKBB biogenic O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223399870 DPPRCVQAURJIBP-ZEQRLZLVSA-N 456.527 5.423 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224245369 RYOXJGODGZGYHI-RPWUZVMVSA-N 455.543 5.266 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408571924 PXBWICNVPDUQKH-XMMPIXPASA-N 495.004 6.227 5 40 JKBB Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl 409109695 JKWJVJDOBOQLEY-UHFFFAOYSA-N 451.737 7.055 5 40 JKBB O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 409189676 MSFHUZQHIYFFPC-YDZHTSKRSA-N 489.940 6.492 5 40 JKBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)C1 1588814 XOSKWIQVQQMVBP-VXGBXAGGSA-N 493.796 6.014 5 40 JKBB in-vitro Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2cccc([N+](=O)[O-])c2)cc1 6406965 HIQAFIQIZLUSLI-UHFFFAOYSA-N 472.526 5.186 5 40 JKBB O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 8816347 OYHIDBNNCWTJKN-UHFFFAOYSA-N 485.371 5.476 5 40 JKBB Cc1cccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)c1 13371982 LBEASIHFOKZSMA-UHFFFAOYSA-N 494.960 5.932 5 40 JKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)oc2c1 14277881 UNJSGRALKUEJFB-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB COc1ccc2cc(-c3c4cnn(C(C)C)c4nc4c3oc3cc(O)ccc34)c(=O)n(C)c2c1 96115788 PNBDYEXILWIOEE-UHFFFAOYSA-N 454.486 5.145 5 40 JKBB biogenic O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1c(F)cccc1Cl 205662982 LOCUKSUMIQQNAI-WSDLNYQXSA-N 498.919 6.203 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1cccc2ccccc12 408566344 FKJWUTPLPADNRQ-RUZDIDTESA-N 452.510 6.317 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 408750399 MJQWVYAZPMJANK-UHFFFAOYSA-N 499.957 6.101 5 40 JKBB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(C)c1 868992 XZLUNSBEKCWSGK-UHFFFAOYSA-N 473.558 5.499 5 40 JKBB COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 9391344 KYRWDKDGRXUHQQ-VWLOTQADSA-N 490.556 5.554 5 40 JKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 9636673 NVSRYIFVBUTHEE-XQUALCHDSA-N 475.342 5.345 5 40 JKBB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 13556840 ZXLNQJPBSPIMDL-OSPHWJPCSA-N 473.525 5.501 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1-c1nc2ccccc2s1 14729726 JJGWKMXTORLFGH-UHFFFAOYSA-N 461.546 6.070 5 40 JKBB O=C(O)c1c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] 39404520 SLQDOJHPBKTUGO-PVTFNEGUSA-N 481.508 5.730 5 40 JKBB O=C1S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106729019 ATMYAHBWXHMFLR-XYGWBWBKSA-N 499.548 5.865 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223908507 MSNCLIWOUGEEPQ-JWQCQUIFSA-N 484.585 5.024 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1cccc(Cl)c1 409201727 NTIWJCIORZYELZ-CIAFOILYSA-N 466.902 6.068 5 40 JKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc(Cl)c(Cl)c1 409344149 FTLYFDWKVIQHFL-YVMONPNESA-N 478.288 5.251 5 40 JKBB c1cc2ccc3ccc(-c4cncc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccc(c1)c2c34 575415327 YNTQHSDEZACXAP-UHFFFAOYSA-N 479.582 10.210 5 40 JKBB in-vitro COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 1426368 JRRYQYMHPBWAPR-UHFFFAOYSA-N 451.529 5.758 5 40 JKBB C[C@@H](OC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)C(=O)N1CCCc2ccccc21 3306224 HRQYCLMZMYDBLN-QGZVFWFLSA-N 462.527 5.271 5 40 JKBB O=[N+]([O-])c1ccc(N2COc3ccc4cc(Br)ccc4c3C2)c(Br)c1 9046633 KOIFQEAQIBVZHA-UHFFFAOYSA-N 464.113 5.630 5 40 JKBB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1cc(Cl)ccc1[N+](=O)[O-] 9404475 BIIAHRIGGWPXPP-UHFFFAOYSA-N 492.944 6.225 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 9670640 IIDWVDZZHJKRLW-LLVKDONJSA-N 459.350 5.059 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 10060370 XSBOXBSDUWJRTP-YADHBBJMSA-N 459.893 5.221 5 40 JKBB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]3c2ccc(OC)cc2)cc1 12560060 UFCFKLZZPZKKNA-JBMBNRJBSA-N 487.512 5.642 5 40 JKBB CCCCN(CCCC)CC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 17109609 ZPXSVBCFYDHSQL-RUZDIDTESA-N 499.539 8.356 5 40 JKBB CCn1ncc(-c2cc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)c3ccccc3n2)c1C 22748834 QDTBYGBAMHMBCL-UHFFFAOYSA-N 490.596 5.911 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 224451988 DOFCKHUAGXIUCN-XZOQPEGZSA-N 460.490 5.566 5 40 JKBB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408607376 KIXDURCFMBILBW-UHFFFAOYSA-N 476.407 6.115 5 40 JKBB O=C(NCCSCc1ccc(Cl)cc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408924075 NMBBBMVVOFYVCW-HYARGMPZSA-N 487.408 6.492 5 40 JKBB O=[N+]([O-])c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCCC6)o3)sc2c1 408990783 MABZAEZKIHCOKE-UHFFFAOYSA-N 496.595 6.595 5 40 JKBB c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4c4c(c5ccccc5n4-c4ccccc4)c32)cc1 2362797724 VTPUQPGSHCOEFG-UHFFFAOYSA-N 497.601 9.515 5 40 JKBB CCOc1ccc(Br)cc1/C=C/C(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 1810866 JNRAJHHXJBRBGZ-SDNWHVSQSA-N 481.346 6.003 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3noc(COc4ccccc4[N+](=O)[O-])n3)cc2)cc1 3013695 IKFJCRPVQIGTCH-UHFFFAOYSA-N 472.501 5.774 5 40 JKBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 8837836 OFAAKHMBOYZPKG-SXGWCWSVSA-N 463.660 6.160 5 40 JKBB C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9671181 BTADKXIMZDCUGE-ZDUSSCGKSA-N 498.927 5.149 5 40 JKBB O=C(OCC(=O)c1ccc(OC(F)F)cc1OC(F)F)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13098493 DRPJWCPWMKXZQL-UHFFFAOYSA-N 483.326 5.097 5 40 JKBB Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 15705122 USYBJBBCJQNLQQ-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1Cl 16689262 SYTDVWWMOJKDRR-UHFFFAOYSA-N 490.387 6.081 5 40 JKBB O=C(CC(CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 16806102 PNJOHGZNAMMXLE-UHFFFAOYSA-N 452.850 5.786 5 40 JKBB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20611392 PMFPLQUCBZQCBG-UHFFFAOYSA-N 490.859 5.972 5 40 JKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 33571693 XGIUALYYLZLZDC-LBPRGKRZSA-N 480.377 5.296 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463637 KCTHBJOKGFFXFS-UHFFFAOYSA-N 485.609 7.552 5 40 JKBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](C)c1cc([N+](=O)[O-])ccc1OC)CC2 62591853 NEPSKJNASROUDR-QLXKLKPCSA-N 491.544 5.039 5 40 JKBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1O 79190069 RSZKNKLJNNSYNR-UHFFFAOYSA-N 473.529 5.996 5 40 JKBB biogenic Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1 215012261 DMPFHJTVWQUHEH-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(Cl)c(C)c1 224548754 WKXNBNFNBYFOOH-UHFFFAOYSA-N 454.910 6.095 5 40 JKBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408566849 PMTNZPNPERANRG-JJIBRWJFSA-N 481.474 5.503 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1CCc1ccccc1 409208810 CGDLNLHFPUTZPY-DEDYPNTBSA-N 454.891 5.787 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccccc1 409218503 JDBLELIRAIJXAL-RGVLZGJSSA-N 468.874 5.427 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409349802 UWIBCCDEAZRECM-HYARGMPZSA-N 460.467 5.306 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 2093029 IHZPZIDVJGXCNF-GFCCVEGCSA-N 464.971 5.890 5 40 JKBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 8718223 UMYBPAXPBNWNEW-UHFFFAOYSA-N 480.364 5.736 5 40 JKBB Cc1ccc(NC(=O)N2[C@H](c3ccccc3)COC23CCN(c2ccc([N+](=O)[O-])cc2)CC3)cc1 8857339 NONPXZCGPLBFRH-VWLOTQADSA-N 472.545 5.505 5 40 JKBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1)c1ccc(Cl)cc1 9062465 DUEMKYBMLQOGGN-UHFFFAOYSA-N 479.905 5.271 5 40 JKBB Cc1cccc2oc3cc(NCCCN4CCCC[C@@H]4C)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9087992 WRELKXXBDMWAER-IBGZPJMESA-N 481.596 5.926 5 40 JKBB CCN1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 9190345 HQOGESZKHXGIEI-ACCUITESSA-N 480.952 5.302 5 40 JKBB CC(C)C(=O)Oc1cn(-c2cc(Cl)cc(Cl)c2)c2nc(C(C)C)n3c4ccccc4nc3c12 9242685 FNCODBXHGFGJLK-UHFFFAOYSA-N 481.383 6.818 5 40 JKBB COCCCn1c(SCc2nc3ccccc3c3ccccc23)nc2cc(C(=O)OC)ccc2c1=O 9585854 MLCKEYFAANPUCW-UHFFFAOYSA-N 499.592 5.213 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 10059811 AITJYLDKSMIINP-YADHBBJMSA-N 459.893 5.221 5 40 JKBB CC1CCN(c2ccc(C(=O)O[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)cc2[N+](=O)[O-])CC1 12564740 TWLHSNAIYSFSEB-NDEPHWFRSA-N 497.551 6.093 5 40 JKBB O=C(O/C(=C/c1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)c1ccccc1)c1ccccc1 13109070 MQLWDJOXZZXCTQ-LGUFXXKBSA-N 461.477 6.289 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 20459493 JVBBXIJBGIZZSU-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 20610569 IKOUDYKDVXGXNX-UHFFFAOYSA-N 491.960 6.573 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224348196 SHQOOYOHLJRIJG-LOSJGSFVSA-N 470.554 5.989 5 40 JKBB COc1ccc(N(C)C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408978082 YASKBPMTWBIPGH-UHFFFAOYSA-N 460.497 5.556 5 40 JKBB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-] 409057019 OJYZFYSEJXXZRT-UHFFFAOYSA-N 494.460 5.694 5 40 JKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409180399 WZBONBTUCIXNHM-UHFFFAOYSA-N 452.677 6.704 5 40 JKBB COc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OCc1ccc(Cl)cc1 3293989 OCYRMRJUBPFPJD-UHFFFAOYSA-N 485.876 5.059 5 40 JKBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 21576596 MWMFPJHLJCUMSL-WEVVVXLNSA-N 491.375 5.002 5 40 JKBB O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 35272017 SJGAMNFNGRJZQJ-UHFFFAOYSA-N 489.340 5.281 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1 225061307 MCCZUVRWLPIYTE-CLJLJLNGSA-N 499.596 5.725 5 40 JKBB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225353984 KNTMNHXMWBSXQS-RUZDIDTESA-N 497.661 5.127 5 40 JKBB Cc1ccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409175889 DDMWKQACKBJIRR-NDEPHWFRSA-N 481.504 6.263 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c(C)c1 409177324 DNPDMGJGRKNTMM-MFKUBSTISA-N 466.562 6.285 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cc2cc(Cl)ccc2o1 409362487 VEPZHVCLTKHYOB-UHFFFAOYSA-N 471.926 5.312 5 40 JKBB C[N+]1(C)CCC[C@H](OCCCCCCCCCCCCCCO[C@H]2CCC[N+](C)(C)C2)C1 4404250 CERPRAKKBOGKBI-NSOVKSMOSA-N 454.784 6.178 5 40 JKBB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccc2ccc3cccc4ccc1c2c34 8453508 MGHLOQFXADVOMU-AMWHZVNQSA-N 499.742 9.508 5 40 JKBB O=[N+]([O-])c1ccccc1N[C@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 8932184 WDSSYUJOPPDESE-VWLOTQADSA-N 460.426 7.057 5 40 JKBB O=c1cc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)c2c(ccc3ccccc32)o1 9220559 ARJQLEQXCKVNEW-UHFFFAOYSA-N 468.582 5.415 5 40 JKBB COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\c2cccc(C)c2C)cc1OC 15277368 JHJIAFODLSNUBO-DQSJHHFOSA-N 489.597 6.234 5 40 JKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 16291383 FGKAFHFSOBSQAB-UHFFFAOYSA-N 469.453 6.232 5 40 JKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)cc1)c1ccc([N+](=O)[O-])s1 90470619 AYQFCRWYTXESGB-UHFFFAOYSA-N 494.510 5.798 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224345853 VEWFVZBNHQEIMK-DQEYMECFSA-N 469.570 5.520 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1c[nH]c2ccccc12 408565123 BFYOPKPSTKYWMI-FQEVSTJZSA-N 451.866 5.717 5 40 JKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 409318333 VRTQRGKEGBDPNQ-BENRWUELSA-N 459.458 5.097 5 40 JKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@@H](C(Cl)(Cl)Cl)O[C@@H]2C(Cl)(Cl)Cl 1615449 FHFYDARLLMBMPK-JGVFFNPUSA-N 460.868 5.020 5 40 JKBB CCOC(=O)c1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 2404851 AINYHYXWEODCAT-UHFFFAOYSA-N 484.556 5.688 5 40 JKBB COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 12844483 KJTVRMFIVTURSH-GFCCVEGCSA-N 478.452 5.199 5 40 JKBB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2Cl)cc1 16035522 PQDNRCJKTSPBAQ-UHFFFAOYSA-N 489.937 5.008 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] 22535820 YGCYTXZCFPHGAQ-UHFFFAOYSA-N 453.907 6.176 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22571347 SYHCYPPSEXONBB-UHFFFAOYSA-N 462.893 5.909 5 40 JKBB O=C(Oc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccccc34)CC2)c1)c1ccccc1 26522408 AIBKONTYPMRBGL-UHFFFAOYSA-N 487.559 5.570 5 40 JKBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 35147432 BXCNNDUMKQHOIO-RUZDIDTESA-N 482.496 5.220 5 40 JKBB Oc1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c(O)nn(C4CCCCC4)c3nc12 79502206 WDRFKWVUHGCHST-UHFFFAOYSA-N 450.498 6.462 5 40 JKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 106701845 LXNJGCBLKKAVRG-OYKKKHCWSA-N 490.537 5.727 5 40 JKBB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225229152 XVMQBNSPFKFESW-NDEPHWFRSA-N 499.611 5.226 5 40 JKBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 260759380 GIUAJPMCSYTDJS-GBSMKCJWSA-N 450.520 5.238 5 40 JKBB Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)cc2)cc1 1517409 HGDNKOPFUYBWPM-UHFFFAOYSA-N 466.449 6.288 5 40 JKBB Cc1oc2cc(OCC(=O)c3c(C)n(C)c4ccccc34)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 1897260 GFFREJJCRLATDH-UHFFFAOYSA-N 482.492 5.738 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2251104 PDHQLSCCBXPINM-UHFFFAOYSA-N 495.926 5.022 5 40 JKBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 2685222 XYCFMCVCRZAKGE-UHFFFAOYSA-N 456.389 5.956 5 40 JKBB COc1cc(/C=C/C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1OC(F)F 3297831 VOPNOGVUBCRWFJ-YRNVUSSQSA-N 452.409 5.313 5 40 JKBB CCOc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)c2c1 6631081 AWAZMPROHSQGCP-UHFFFAOYSA-N 485.525 5.946 5 40 JKBB COc1ccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)cc1OC 8854313 FGXKVMFQPOMMHN-UHFFFAOYSA-N 480.305 6.158 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)nc12 10010626 UKUHWTJYASBHOK-SOFGYWHQSA-N 490.324 6.432 5 40 JKBB O=C(c1ccccc1)n1nc(-c2ccc([N+](=O)[O-])cc2)cc1Nc1cccc(NC(=O)C(F)(F)F)c1 13041549 LVXCJGTYCAVEKK-UHFFFAOYSA-N 495.417 5.391 5 40 JKBB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1C 14405335 UYHBRQYKUZOHCR-NTEUORMPSA-N 461.522 5.112 5 40 JKBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 20411822 HEFLJOWFZXMQDG-UHFFFAOYSA-N 451.460 5.282 5 40 JKBB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33697318 FRSFJCAVZAODHI-UHFFFAOYSA-N 484.965 5.625 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1 408567194 GRJTYIMDIPMIHS-HXUWFJFHSA-N 499.336 6.066 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1cccc(F)c1)c1c[nH]c2ccccc12 408569985 KMQZWFWJYXXPRR-OAQYLSRUSA-N 469.310 6.057 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 409178653 NLBNCJWOQXEINR-UHFFFAOYSA-N 480.480 5.537 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409209619 GVRKDCRUUVUUQA-SSDVNMTOSA-N 496.928 6.077 5 40 JKBB CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)C1=O 409351437 SYFSKIGQBMPLNV-YBFXNURJSA-N 473.463 5.140 5 40 JKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F 2075720 TWKXLFQKKMYIMZ-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB O=C(NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 8924259 CUXVOCGMSDJUGD-UHFFFAOYSA-N 496.386 6.028 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N=[P@@](c1c(C)nn(-c2ccccc2)c1C)(N(C)C)C(C)(C)C 12559137 OKMYXYXIODMGFI-YTTGMZPUSA-N 453.527 6.139 5 40 JKBB CCOc1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)c([N+](=O)[O-])c1 12565725 PWMCJNMUXRUTQX-UHFFFAOYSA-N 476.558 5.317 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4c5ccccc5cc5ccccc45)[C@H]3C2=O)cc1 35829933 JPCDTXWJEMQXSW-OCBJUFRSSA-N 484.555 6.353 5 40 JKBB c1ccc2c(c1)nc1cc(NC3CCCCC3)/c(=N\C3CCCCC3)cc-1n2C1CCCCC1 104266591 IZLNCLWMFBBEFY-MXNGAVTRSA-N 456.678 7.624 5 40 JKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(C)cc1 409151498 HJKXNEDCWQVJSX-UHFFFAOYSA-N 480.575 5.036 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cn2nnc3ccccc32)cc1 409182988 QNBRLMCZDADKLL-UHFFFAOYSA-N 480.480 5.537 5 40 JKBB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 868708 BMNSOGHMYKRZQQ-UHFFFAOYSA-N 479.949 5.151 5 40 JKBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 4786632 ZLKNCWSGMDQTRD-JOCHJYFZSA-N 459.893 5.526 5 40 JKBB CCOP(=O)(OCC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1Cl 8868916 VAHFKQPBQMVRLJ-UHFFFAOYSA-N 479.857 5.331 5 40 JKBB O=C1Nc2ccc([N+](=O)[O-])cc2C1=C(c1nc2ccccc2s1)c1nc2ccccc2s1 9090626 SLIANAJYTGZKCB-UHFFFAOYSA-N 456.508 5.725 5 40 JKBB COCCN(C(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9128481 SRCKABYIMSPFJC-UHFFFAOYSA-N 451.426 5.030 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccc(C(F)(F)F)c3)n2-c2ccccc2)cc1 9614264 AEQLYKHQGVWFIO-UHFFFAOYSA-N 470.476 6.077 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 9948526 VSGKHTLBQWZVGI-UHFFFAOYSA-N 498.877 5.031 5 40 JKBB COc1ccc(OC)c([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1 13557572 PTIBIDXVEJODHR-HSZRJFAPSA-N 468.465 5.010 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Br)c1)O2 16739431 ADXKRRPIUFJAJY-UNMCSNQZSA-N 450.292 5.600 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 20609975 BUOZIUDJQRZMMS-UHFFFAOYSA-N 469.457 5.158 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 224278440 COODTFVAJXJTDQ-DQEYMECFSA-N 469.570 5.574 5 40 JKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225161083 VVYIZVGLJZZYTR-JOCHJYFZSA-N 471.985 5.047 5 40 JKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(Cc3ccccc3)CCCC2)c(C(C)(C)C)c1 226070105 XOYNYZGNBLHWSO-AREMUKBSSA-N 468.702 5.849 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1 408567231 QKOYTRACNAYTSK-RTFLAGNKSA-N 498.366 5.141 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(CC)nc32)cc1 2388781 RXYITFFJOGTGBX-UHFFFAOYSA-N 459.553 5.457 5 40 JKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 6150738 KJFXPXDBYWEICO-UHFFFAOYSA-N 465.944 5.548 5 40 JKBB Cc1cc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9292036 LEUAEDFETYNXRR-UHFFFAOYSA-N 467.938 5.306 5 40 JKBB O=[N+]([O-])c1cccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 12193895 NIDDOFJRFLLDEL-IFMALSPDSA-N 474.731 6.797 5 40 JKBB C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C(F)(F)F)cc3c2C1 13163284 SETSMJBACWURFQ-STQMWFEESA-N 489.450 5.404 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 15981822 AHNKZNMOTLBTGU-MHZLTWQESA-N 480.520 5.958 5 40 JKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(-c2ccc(Cl)s2)nc2ccccc12 25389383 GYVKSJMONPLBQF-UHFFFAOYSA-N 497.959 7.233 5 40 JKBB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2c1 215699673 RNIWSMRMGOCKBE-KSEXSDGBSA-N 490.903 5.148 5 40 JKBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 409370591 AVXQTNGBEXMBDT-ISQHLFTMSA-N 498.844 5.144 5 40 JKBB O=c1c2cc3c(nc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1cccc(Cl)c1)CCCC3 1839441 PUZMKBFSCLCRNE-UHFFFAOYSA-N 478.961 5.513 5 40 JKBB O=C(c1ccc(Oc2ccccc2[N+](=O)[O-])cc1)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 2028855 WWESLGXSZNDADU-UHFFFAOYSA-N 456.410 6.319 5 40 JKBB Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 2158419 CYFILRAAOAOJTC-UHFFFAOYSA-N 450.278 6.795 5 40 JKBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2248133 WTFVMWLJNGHUEI-UHFFFAOYSA-N 452.345 5.555 5 40 JKBB O=C(c1ccccc1Cl)c1cc(Br)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 3125037 GIWMLFUQWYTEMQ-UHFFFAOYSA-N 459.683 5.494 5 40 JKBB CC(C)c1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3ccccc3c2=O)cc1 3330587 MBLFMDMIHMAOEP-UHFFFAOYSA-N 489.553 5.576 5 40 JKBB Cc1cc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9292080 KGDTZWPFVVYIGH-UHFFFAOYSA-N 467.938 5.306 5 40 JKBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1 9373662 PBDRGDBIUPGELB-QFIPXVFZSA-N 462.506 5.082 5 40 JKBB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](n1c(S[C@@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)nc3ccc([N+](=O)[O-])cc31)C2=O 100928211 OIQAHDMGJUIHAG-AWHUFHGCSA-N 495.645 5.997 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106688936 SJUBYKOJONQONQ-NDENLUEZSA-N 497.916 5.681 5 40 JKBB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1 106727157 ZNTVYQKKTNDYAJ-JAIQZWGSSA-N 464.455 5.098 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214236612 BTAILCPZRWBNQF-RGVLZGJSSA-N 481.461 5.166 5 40 JKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225352899 KKWJOPIUFCYVDR-FTJBHMTQSA-N 499.596 5.745 5 40 JKBB COCCCN1C(=O)c2cccc3c(-c4ccc(Br)c(C)c4)c([N+](=O)[O-])cc(c23)C1=O 408758136 VTENQUXVAXAPPQ-UHFFFAOYSA-N 483.318 5.118 5 40 JKBB O=C1S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1c1ccccc1 408903228 WAJMFPITVSWBQC-PCLIKHOPSA-N 482.517 6.568 5 40 JKBB CCOC(=O)C1=C(C)N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@@H]1c1cccc(Cl)c1Cl 408990558 ODNNFLBFMVTQDM-LJQANCHMSA-N 480.373 5.672 5 40 JKBB COCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 409107381 PGRNVKIGZUZGFE-UHFFFAOYSA-N 458.849 5.323 5 40 JKBB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 3200397 GLFWKTYMYUTIEE-UHFFFAOYSA-N 450.328 6.492 5 40 JKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 3333031 ZVBLRRYLRFFGBH-CAOOACKPSA-N 488.540 6.270 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 9235114 CNGNLFPRHSXJHS-KEBDBYFISA-N 488.880 5.892 5 40 JKBB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 9404715 YYUNKNUCMFVZJE-UHFFFAOYSA-N 455.491 5.714 5 40 JKBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 12546905 KNWXHOQDXDCSDW-NUJGCVRESA-N 463.534 5.295 5 40 JKBB COc1ccccc1-n1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc2cc([N+](=O)[O-])ccc21 13522799 ACCLIYOFOZWQMZ-UHFFFAOYSA-N 477.586 5.820 5 40 JKBB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20610147 YKAJSJRFMGHCCC-UHFFFAOYSA-N 470.533 5.134 5 40 JKBB O=C(Nc1ccccc1C(=O)OCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl 24733778 MMJHJPUIGYXHEC-UHFFFAOYSA-N 467.890 5.467 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1[N+](=O)[O-] 32925962 YRSSFOYKIRAOQI-UHFFFAOYSA-N 461.371 5.566 5 40 JKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1cccc(Br)c1 33722310 AFFUZVGPXXTNOU-UHFFFAOYSA-N 463.360 5.529 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 59459246 HEOUBEJMEXLVMX-UHFFFAOYSA-N 450.800 6.098 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 72229927 IAQAOZNZGOLMEO-XMMPIXPASA-N 462.889 6.151 5 40 JKBB Cc1nn(-c2ccccc2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccc(Cl)cc2)c1=O 101271573 FEXPACMISWMJMO-UHFFFAOYSA-N 460.877 5.022 5 40 JKBB CC(C)(C)[P@@](=NC(=O)c1ccc([N+](=O)[O-])cc1)(Nc1cccc(C(F)(F)F)c1)c1ccncc1 102940856 XQIZSLHUCHADSG-UUWRZZSWSA-N 490.422 6.501 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408997408 OIPXRPZEFOLNHN-UHFFFAOYSA-N 466.449 5.531 5 40 JKBB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 725267 WNHAILDUNVAQMH-UQBPGWFLSA-N 457.530 5.908 5 40 JKBB O=C(COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])cc1 836557 LJWOWKQMKCWVAP-UHFFFAOYSA-N 473.268 5.194 5 40 JKBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2255273 HMZYZRKKXBQMAI-HNNXBMFYSA-N 480.355 5.078 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 9289044 FZYWEMXLWQDXTE-FGZHOGPDSA-N 459.893 5.221 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 12860492 KVFGDIJNQLHQKX-INIZCTEOSA-N 484.622 5.149 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)c3cccc(Cl)c3)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500043 UCONCYDNCWPJNG-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cc2ccccc2o1 33659063 KUWPUNPRWMLSQG-UHFFFAOYSA-N 497.463 6.114 5 40 JKBB Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 57313774 JKCMPZQJPFAGOE-UHFFFAOYSA-N 462.506 5.237 5 40 JKBB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 138685935 OTHBHHSFHWAOKV-UHFFFAOYSA-N 469.497 5.531 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(Cl)cc1 224679429 IGUVBZALNCZMPQ-UHFFFAOYSA-N 456.951 6.500 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408560152 CFVCHXJYECUUAD-ATJXCDBQSA-N 450.347 5.755 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 408566245 FDQXTAYYOOIYAT-XMMPIXPASA-N 478.549 5.712 5 40 JKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Br)cc3)cc2Cl)cc1 409201804 YHOKEJWAYWXZHV-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc(-c2cccs2)nc2ccccc12 3175479 ROXATTAEGAJVLQ-UHFFFAOYSA-N 458.524 6.247 5 40 JKBB COc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 8385908 ZLUDFXPUDMZZSD-UHFFFAOYSA-N 473.872 5.954 5 40 JKBB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c2)N3)C1 8874893 GIERNEQTXVUWNK-XUSGNXJCSA-N 480.502 5.336 5 40 JKBB Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 9111489 RCDCZYVZYRMGCY-UHFFFAOYSA-N 467.403 5.385 5 40 JKBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 12575720 NJIQMVJIBVSVRB-UHFFFAOYSA-N 493.535 5.635 5 40 JKBB O=C(Nc1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1 18322437 VIEKUDIJUOYQGJ-QURFURGYSA-N 452.554 6.637 5 40 JKBB O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[N+]1(Cc2ccccc2)CCCCC1 27666089 RHQAJJSYCWISQT-MKRRAVBBSA-N 460.682 6.095 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 224452033 DOFCKHUAGXIUCN-GOTSBHOMSA-N 460.490 5.566 5 40 JKBB CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Br)cc1 408560019 BOJPXWQHVMHXSE-XDOYNYLZSA-N 460.353 5.211 5 40 JKBB CCOc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839579 UNICSFSIHWSUFE-HSGJKIJMSA-N 484.464 5.222 5 40 JKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 409327216 RKBIINBDFGCCID-DAXSKMNVSA-N 478.288 5.251 5 40 JKBB CCn1c(CNc2cc(Cl)ccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 976319 USJONGBUDYLFOJ-UHFFFAOYSA-N 495.392 5.164 5 40 JKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 6150822 SQKQTNZGRUBGHV-UHFFFAOYSA-N 490.951 5.454 5 40 JKBB CC[C@@H](C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc([N+](=O)[O-])cc1)c1ccccc1 9391368 FGZCBBLIVQSFTQ-ILBGXUMGSA-N 490.556 5.311 5 40 JKBB CCCC[N+](CCCC)(CCCC)CCOCCOCC[N+](CCCC)(CCCC)CCCC 11917713 DLNPADJPNWNRCV-UHFFFAOYSA-N 486.870 7.454 5 40 JKBB O=C(COC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] 12632009 WKCPCQNEZNVCKK-UHFFFAOYSA-N 496.932 5.212 5 40 JKBB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2Cl)c1 15912285 IHGLEMFYPPEKSF-UHFFFAOYSA-N 493.976 5.844 5 40 JKBB Brc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)c1 100970347 QTFXFQKGKKVABF-SGEDCAFJSA-N 466.338 7.124 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)c1 408570992 MPRMYFOLLMLBPM-DEOSSOPVSA-N 495.004 6.227 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1CC1CCCCC1 409125649 AHSKALDGFWXAHS-UFWORHAWSA-N 481.357 6.778 5 40 JKBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)nc1Sc1nc2ccccc2s1 2171463 IARGWGJNGUBKNY-UHFFFAOYSA-N 454.583 6.512 5 40 JKBB O=[N+]([O-])c1ccccc1/C=C/S(=O)(=O)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12 4257569 BQZRQXSWXUCSMH-SXKZTFQGSA-N 457.511 5.453 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 22512549 LPRXETXZRWEDSI-UHFFFAOYSA-N 452.532 5.233 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 39757298 KMNQYGHIYBVVOC-BUHFOSPRSA-N 471.498 5.018 5 40 JKBB O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 39761023 WOTRUJDPMKKKNI-VAWYXSNFSA-N 477.527 5.079 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102501394 XYAZDZOBEGQKKS-AREMUKBSSA-N 498.608 7.258 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739294 OSMUSTGRSBGGDJ-UUYOSTAYSA-N 498.919 6.203 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224445400 KJSMDVGYDWXHIT-XZOQPEGZSA-N 460.490 5.566 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224620370 JCAIRPQIFBVVFP-RPWUZVMVSA-N 488.525 5.141 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1 408570602 LNDOFXBEJYIHOC-RUZDIDTESA-N 490.585 5.664 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Br)cc1 409197292 ATMZHOKUETXDBK-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409204106 BGJHBDQXDZHTFV-UHFFFAOYSA-N 481.763 7.145 5 40 JKBB CC1(C)CC(OC(=O)Oc2c3ccccc3c3ccc4cccc5ccc2c3c54)CC(C)(C)N1O 5639603 XWBOFHMWRHMYKG-UHFFFAOYSA-N 467.565 7.663 5 40 JKBB O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474813 SODKGCKILQLRRK-UHFFFAOYSA-N 495.948 5.139 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 10119784 YEZIEUCSPSPKMT-IZZDOVSWSA-N 492.329 6.380 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)cc2[N+](=O)[O-])CC1 13150245 NEWJPGBWBZTOOH-UHFFFAOYSA-N 478.530 6.060 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(Br)cc1 24522855 WWPXBTFDZYCOMH-UHFFFAOYSA-N 484.305 7.020 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1[N+](=O)[O-] 25390528 MQQBUFDQFNMZFB-UHFFFAOYSA-N 481.917 5.629 5 40 JKBB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 57315703 DUNMYKARAHXRLH-FMIVXFBMSA-N 480.952 5.302 5 40 JKBB O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214907300 VGMKQWRYAKNHKE-XQNSMLJCSA-N 476.510 5.289 5 40 JKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223543878 MBVTVLOUHXSSEJ-IBGZPJMESA-N 480.392 5.166 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224386737 CPBDHFXDHFVSQH-UIOOFZCWSA-N 484.581 6.550 5 40 JKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1 408694712 LYULMJRTROXXJR-UHFFFAOYSA-N 478.306 5.166 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 408834724 LQKBCTTZKRUHHE-UHFFFAOYSA-N 480.889 6.199 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)c(Br)c1 408994365 YYXBFXUKHGWOAD-UHFFFAOYSA-N 486.347 6.264 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1N1C(=O)c2ccccc2C1=O 409176614 SPAXSYAPGGHUPF-UHFFFAOYSA-N 494.459 5.545 5 40 JKBB O=C(c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1cccc2ccccc12 3848887 AZEIHPIQTTXRQW-UHFFFAOYSA-N 484.489 5.467 5 40 JKBB biogenic O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 8832391 WPMHHGPMGZLJTB-UHFFFAOYSA-N 455.253 5.927 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)c([N+](=O)[O-])c1 14357013 KDAGGSZIYUFPDZ-UHFFFAOYSA-N 453.501 5.037 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 15945198 SCHQUSPABOHNEB-SZNDQCEHSA-N 451.548 5.921 5 40 JKBB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 16575993 DOQQEQNCXQSJJO-UHFFFAOYSA-N 460.515 5.653 5 40 JKBB C[C@@]12Oc3ccc([N+](=O)[O-])cc3[C@@H](NC(=S)N1c1ccccc1)[C@@H]2C(=O)Nc1ccc(Cl)cc1 20641340 CZWNQUZJIGWXNY-LGVFNWMJSA-N 494.960 5.048 5 40 JKBB Cc1ccc2nc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)oc2c1 22751198 JFSXNKPZIGNPPP-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB CNc1ccc(C(=O)c2ccccc2C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] 24828336 ZZMUBDQGDREJJZ-UHFFFAOYSA-N 491.500 5.487 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224409689 NWJABVQZOFLTJB-DHIUTWEWSA-N 459.506 5.097 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 224623742 ZSVZKWBFZZDXDG-XZOQPEGZSA-N 458.499 5.133 5 40 JKBB CCN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 225854630 DLUATRAXFWUPJG-UHFFFAOYSA-N 495.582 5.585 5 40 JKBB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408553566 ATHHNIQSUSCXLF-HSZRJFAPSA-N 470.934 5.614 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 408574008 UJWVNKZOQUCUAE-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 408728606 PQNREIMMAYKYKB-YDNHHRFVSA-N 462.505 5.327 5 40 JKBB CCOc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1 408987671 BNPLQFOEUYCMFH-UHFFFAOYSA-N 487.899 6.344 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1Cl 409244568 FPPJLFZJOKOJSZ-ODLFYWEKSA-N 483.889 5.183 5 40 JKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)N2c4ccccc4C[C@@H]2C)ncnc13 1327845 NVZHWGBIRDLBNI-HNNXBMFYSA-N 456.596 5.771 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 1839226 MYORSIDTRVKEDO-MZTACXPWSA-N 475.932 7.222 5 40 JKBB CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C 2053020 FVNUNIDBZQIAGI-FQRUVTKNSA-N 471.557 6.298 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CCCC1 3260234 DCSGKHKCLCHTQI-AWEZNQCLSA-N 485.541 5.235 5 40 JKBB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2C1 3336868 LXFQGOLXOCQNMC-NRFANRHFSA-N 491.587 7.002 5 40 JKBB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8893482 XXFJIIFOHSDMJO-UHFFFAOYSA-N 498.520 5.468 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 8900120 YOKLYKYKKOUSRS-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cc(Br)ccc1Cl 9404468 SOQPGHDUCXCWEK-UHFFFAOYSA-N 479.743 5.196 5 40 JKBB Cc1cc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])cc1C 12540093 GKEPYYZJGLJNSY-UHFFFAOYSA-N 453.303 5.529 5 40 JKBB Cc1cc(C)c2cc3c(nc2c1)sc1c(SCC(=O)N2c4ccccc4C[C@H]2C)ncnc13 13086131 UQKDWTUFJJQMQP-MRXNPFEDSA-N 470.623 6.079 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Br)c2ccccc2)cc1/C=C\c1ccccc1 13403291 IZUCMCYILUILLB-BUGXHRFLSA-N 451.276 6.566 5 40 JKBB COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1 33794141 VHUNIIHMZMTLAH-UHFFFAOYSA-N 456.332 5.252 5 40 JKBB O=c1nc2n(nc1-c1ccc(F)cc1)[C@H](/C(Cl)=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 104240529 YHHULYYWKAISET-FYVGXUMQSA-N 475.867 5.224 5 40 JKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1 108203073 BTIQICRIGUITTF-UHFFFAOYSA-N 480.527 5.114 5 40 JKBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 224589062 XQYYIDLTBTXCAW-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 408571154 NWVXLNKSOZVDDV-RUZDIDTESA-N 490.585 5.582 5 40 JKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Br)cc2)cc1 408695265 OZLYMHZLKJAZPE-UHFFFAOYSA-N 478.306 5.166 5 40 JKBB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 409335015 JNCYWPUAQONMPT-ZIAGYGMSSA-N 487.990 5.830 5 40 JKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)N2c4ccccc4C[C@H]2C)ncnc13 1327844 NVZHWGBIRDLBNI-OAHLLOKOSA-N 456.596 5.771 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccc(Cl)cc2)cc1 2254967 ZFPNWKLVXJSQHN-UHFFFAOYSA-N 479.971 5.661 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2755307 VRRGUMUHAGHDNK-UHFFFAOYSA-N 493.394 5.699 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3431838 GAOQXZUBPWDBNG-UHFFFAOYSA-N 464.478 5.084 5 40 JKBB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 8926064 UVEFOPZRKZZFEY-FYSMJZIKSA-N 474.473 5.036 5 40 JKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 8991739 MSGFPJCRJCRYCU-UHFFFAOYSA-N 457.486 5.862 5 40 JKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 9193057 LEIZLZIFLQTXJU-LBPRGKRZSA-N 452.345 5.870 5 40 JKBB Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc2ccccc2c1=O 9467213 IRZVJCUZZVURMZ-UHFFFAOYSA-N 498.923 5.126 5 40 JKBB C[C@@]12CCC[C@H]1[C@@H]1C[C@@H]3O[C@@]34C[C@@H](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@]4(C)[C@H]1CC2 123424266 UHBQQROSQQYOOK-WSZXCHJCSA-N 484.549 5.593 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc2ccccc12 209535736 IPCZAAZVXQADKR-YDZHTSKRSA-N 490.924 6.898 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408613635 ZBFZZLOLBSHWOX-UHFFFAOYSA-N 455.898 5.195 5 40 JKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408993560 WFSWKCYNDPFYNG-HNNVXOBOSA-N 470.525 6.169 5 40 JKBB CCC(C)(C)c1ccc(OCCCC(=O)OCc2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1 409181598 DCTNAOCIZWVNTN-UHFFFAOYSA-N 455.595 6.872 5 40 JKBB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 684318 QFOZOBFNFWFFNB-HSZRJFAPSA-N 489.513 5.263 5 40 JKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3ccc(Br)cc3)cc([N+](=O)[O-])c2)cc1 728363 BHDUHWOHHLHVHT-UHFFFAOYSA-N 470.279 5.360 5 40 JKBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 2068052 CMFHCMFFCUVDEM-UHFFFAOYSA-N 480.476 5.554 5 40 JKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1 2256197 JRTNHLZZSJPDRN-UHFFFAOYSA-N 481.943 5.302 5 40 JKBB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1cc([N+](=O)[O-])ccc1Cl 3260360 VJCIZWJNVXIPMB-UHFFFAOYSA-N 485.690 5.229 5 40 JKBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 6245357 FZJLDZSKLZUSOY-UHFFFAOYSA-N 488.573 5.135 5 40 JKBB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4nc5ccc([N+](=O)[O-])cc5s4)cc3)c2O1 9659776 FWWYTKCNOZPMBO-UHFFFAOYSA-N 475.526 5.749 5 40 JKBB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313474 GNQZYUPDDQYQBJ-UHFFFAOYSA-N 484.324 6.103 5 40 JKBB O=C(NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)CC1)OCc1ccccc1 100763584 MFFYGKRAHKYJFV-TYKWCNGQSA-N 485.536 5.584 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 101022562 WYOFTZMRJCIWMX-VTJDKEBTSA-N 482.475 5.033 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)c1 408577781 ZWHUSYKSUHJKQT-XMMPIXPASA-N 478.549 5.712 5 40 JKBB c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1c1[nH]c3ccccc3c1c1ccccc21 2113934031 DHDJGAXUDYQDJQ-UHFFFAOYSA-N 455.560 8.818 5 40 JKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 888273 DGDOORWOPZJDEY-UHFFFAOYSA-N 493.976 5.459 5 40 JKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@@H](c4ccc(F)cc4)N23)c1 1901851 UCJDCPFPARBTIR-RUZDIDTESA-N 455.514 6.550 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 2093027 IHZPZIDVJGXCNF-LBPRGKRZSA-N 464.971 5.890 5 40 JKBB CC1(C)c2ccccc2N(c2ccccc2)[C@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 2271879 IBZJSOJONVOAHW-DEOSSOPVSA-N 463.331 6.589 5 40 JKBB O=C1S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769690 XIBDUSQRGQFEOE-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB CCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 5431324 ZQNXIOFTAVFDAC-UHFFFAOYSA-N 463.486 5.992 5 40 JKBB CCN(CC)c1cccc(O[P@](=Nc2cc([N+](=O)[O-])ccc2C)(c2ccc(C)o2)C(C)(C)C)c1 12575237 CUNBJYXHJCSOQG-UUWRZZSWSA-N 483.549 7.602 5 40 JKBB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3Cl)nc2c1 13946047 GHFJBQKYRFPNLQ-UHFFFAOYSA-N 487.899 7.131 5 40 JKBB O=C(Nc1cc(/C=C\c2ccc(Cl)cc2)ccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1O 25557561 VBIVOJDWMKLXLM-UPHRSURJSA-N 463.704 6.683 5 40 JKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 38261816 NBMXAGJZVUEAEY-UOOOSFKRSA-N 462.418 5.126 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1 223406624 ITUGWKCLKDPDGG-RPWUZVMVSA-N 456.527 5.423 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1 225061394 MCCZUVRWLPIYTE-IZZNHLLZSA-N 499.596 5.725 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1 408559085 XJXSYTBJNPJSLO-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)o1 408632938 HUZZIMJYFQMQEK-ODLFYWEKSA-N 482.905 5.820 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409181643 DMUIDUYAYZQDAV-AREMUKBSSA-N 498.447 6.076 5 40 JKBB Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1Cl 409204594 AUXSDVSNSASNAR-NHDPSOOVSA-N 462.845 5.120 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2ccccc2o1 409349130 VAKNQZMAWJPSIX-UHFFFAOYSA-N 457.899 5.004 5 40 JKBB O=c1c(Oc2ccccc2Br)coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 1962854 LTDVJTCQPAFHEC-UHFFFAOYSA-N 468.259 5.835 5 40 JKBB biogenic CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 6074026 SPVVKABHUIDWRR-MHZLTWQESA-N 454.482 5.122 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCCC4=CCCCC4)nc2c31 8878011 RXOGTKROGXDWCU-UHFFFAOYSA-N 481.552 5.229 5 40 JKBB biogenic COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1 9232832 VPGPEVCTWJOHCA-ZVHZXABRSA-N 490.537 5.727 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1 20151012 ZJTDRVZMAQYMGS-IZZDOVSWSA-N 478.888 6.221 5 40 JKBB CCOc1ccc2nc(Sc3ccc([C@H]4NC(=O)c5ccccc5O4)cc3[N+](=O)[O-])sc2c1 59488124 AMCMVHSJZTUCBD-QFIPXVFZSA-N 479.539 5.575 5 40 JKBB CCOc1cccc2c1N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)c1ssc(=S)c1-2 2068784 BKMDRRRDWOYQRD-UHFFFAOYSA-N 458.586 6.408 5 40 JKBB CCCOC(=O)c1c(-c2ccc([C@H](C)CC)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2089643 XOTHBVKFAXMRSH-MRXNPFEDSA-N 466.559 6.656 5 40 JKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCc3ccccc3)c(CC)nc21 2231300 RYLSVIXIXVHPIH-UHFFFAOYSA-N 453.590 5.680 5 40 JKBB Cc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1Cl 2245281 OIQFOLFHXOGNEB-UHFFFAOYSA-N 460.837 5.414 5 40 JKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 2407365 YOXGEYCNMNYOBD-GFCCVEGCSA-N 462.897 5.125 5 40 JKBB CCCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2761224 BQGUJSQVPWQXKE-UHFFFAOYSA-N 460.511 6.296 5 40 JKBB CCCC(=O)Oc1cn(-c2cccc(C(=O)OCC)c2)c2nc(CCC)n3c4ccccc4nc3c12 9124012 ISZZNQKNDLVVKE-UHFFFAOYSA-N 484.556 5.661 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1nc2ccc(Cl)cc2s1 16384227 PLAHAHFQHWHFQR-QHHAFSJGSA-N 453.332 5.038 5 40 JKBB CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2Cl)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 16605540 SAJSUPBUUWZVLF-MHZLTWQESA-N 489.959 5.464 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106689359 APDALGBHLRTKLX-NDENLUEZSA-N 481.461 5.166 5 40 JKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223316907 KADRWVQONTWITR-OAQYLSRUSA-N 492.041 5.204 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)cc2C)cc1 409267033 ROMIJOOWCPSYMS-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)cc1[N+](=O)[O-] 1069371 OYUWOZFNQLLWDR-AREMUKBSSA-N 497.555 5.888 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)[C@H]1CCC 16956775 NFBWHXRHXJKGAQ-GJZUVCINSA-N 478.549 5.344 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 37345760 RZBHIIWYACRLTI-LZYBPNLTSA-N 469.302 5.242 5 40 JKBB CCc1cccc(N2C(=O)N(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032922 SDYMUSHLYNFQTL-BKMJKUGQSA-N 457.486 5.480 5 40 JKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1cccc([N+](=O)[O-])c1 101019181 SLQVSVBNEVKVLP-OAQYLSRUSA-N 472.892 5.148 5 40 JKBB O=[N+]([O-])c1ccc(N2N[C@@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1 225350995 FAUXLPBYAURBON-MHZLTWQESA-N 466.566 5.557 5 40 JKBB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409104376 YLZKZSVCVJVKTC-CXUHLZMHSA-N 453.303 5.537 5 40 JKBB CC[N+](CC)(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](CC)(CC)CC)ccc1-2 8926010 VNBZXCHHGKZNKG-UHFFFAOYSA-N 468.682 5.409 5 40 JKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9669111 LXNSJVCWAYFULE-UHFFFAOYSA-N 458.543 6.032 5 40 JKBB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 14273959 LVZAVGQVHLLKOD-UHFFFAOYSA-N 479.901 5.148 5 40 JKBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)n1 51286160 DGQZLPHLKJNVDB-UHFFFAOYSA-N 487.276 5.905 5 40 JKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3cccc4ccccc34)sc2c1 59449300 PIGOHRFMQDECPP-UHFFFAOYSA-N 497.557 6.451 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 224482652 NCRIPZPOVUDLAS-XZOQPEGZSA-N 476.945 6.080 5 40 JKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225290973 WAXCCNJWVDDGEC-MHZLTWQESA-N 487.600 5.002 5 40 JKBB Cc1cccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 408750454 NEIQLHFZLXXHKT-UHFFFAOYSA-N 461.524 5.606 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1 408770735 BPNAHRQMUWEWMN-PZDOZLBDSA-N 455.923 5.670 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409122721 BEVUVLHRQZPNJS-BUVRLJJBSA-N 496.585 6.189 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1cccc(Cl)c1 409157319 MEDNLUJSEZJSOK-YBFXNURJSA-N 483.889 5.183 5 40 JKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c(C)c1 409374703 XDKQDVYPBHUCHQ-IDUWFGFVSA-N 494.356 5.502 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1-c1cccc(Cl)c1 659742 BNQJWXMKVQUZPG-UHFFFAOYSA-N 460.895 5.333 5 40 JKBB O=c1c2c(-c3ccc(Cl)cc3)csc2nc2c3ccccc3c(NCc3ccco3)nn12 944642 POLSGZBNCMSKQI-UHFFFAOYSA-N 458.930 5.983 5 40 JKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 2198656 DMXQPWQNCLEBTO-UHFFFAOYSA-N 469.589 5.825 5 40 JKBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(-c2cnc3ccccc3n2)cc1 2333568 UKRMWWXHRORZCY-UHFFFAOYSA-N 471.476 6.608 5 40 JKBB COc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1 6194319 QRGJWCBCWCVQJA-QGZVFWFLSA-N 489.557 5.279 5 40 JKBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 8900221 MZTXOEBQGYSTDE-UHFFFAOYSA-N 476.924 5.143 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccccc1 10059782 ICNKPEAPFTZAJC-LEWJYISDSA-N 459.893 5.221 5 40 JKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59057409 ZRIJRJOMRGBASX-UHFFFAOYSA-N 473.876 5.803 5 40 JKBB COc1ccc2cc(-c3c4cnn(C(C)C)c4nc4c3oc3c(C)c(O)ccc34)c(=O)n(C)c2c1 96116289 OZMUBEBGFUTKPI-UHFFFAOYSA-N 468.513 5.453 5 40 JKBB biogenic O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 113928927 MVLNLIIZKQRFLL-HHHXNRCGSA-N 494.507 5.864 5 40 JKBB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 222716260 GIUAJPMCSYTDJS-JQOQJDEVSA-N 450.520 5.238 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccccc1 408570002 KNXDKMHJYPADPW-HSZRJFAPSA-N 480.977 5.918 5 40 JKBB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1 408840207 YJLUCRYHPQDJNA-NTUHNPAUSA-N 463.696 5.570 5 40 JKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1411739 RHRUAACFZYRTRT-UHFFFAOYSA-N 455.426 5.924 5 40 JKBB CCCCOc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 1862192 ZEHHJLMYBNANTG-UHFFFAOYSA-N 484.472 5.631 5 40 JKBB CC1CCN(c2c(F)c(N3CCC(C)CC3)c3c(=O)n4c(nc5ccccc54)sc3c2F)CC1 12417816 IGLNUWWHXVSTMD-UHFFFAOYSA-N 482.600 5.813 5 40 JKBB CC(C)c1ccc(/C=C/C(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CCCC2)cc1 12790026 KGZOMJSYONNYSI-CXUHLZMHSA-N 460.534 5.753 5 40 JKBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20142812 VCEPQHZFSAWGLE-UHFFFAOYSA-N 455.898 5.243 5 40 JKBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)ccc1[N+](=O)[O-] 22257396 IAYFUEYPMIPOEG-UHFFFAOYSA-N 484.940 5.347 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224354770 ZNRRVLOPLLMZQZ-DQEYMECFSA-N 470.554 5.989 5 40 JKBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 408563204 KDVAGCGQZSHBGM-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 408673557 SYFNMNDUKLDMFR-UHFFFAOYSA-N 453.454 5.892 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 408751276 YTOCCLPBUDYZCA-UHFFFAOYSA-N 483.502 5.586 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Br)cc1 409057600 QDFAALLEJUNCCS-UHFFFAOYSA-N 498.333 6.539 5 40 JKBB O=C(CCCCCNC(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc12 2374678 ZYTSHHVRKMVCST-UHFFFAOYSA-N 459.498 5.338 5 40 JKBB C[C@H]1CC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21 9041941 KJWYJIJFOGDKJN-INIZCTEOSA-N 489.484 5.655 5 40 JKBB COc1cc([C@@H]2c3c(oc4ccc5ccccc5c4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC 9450617 OSXSQLAEJIUFPC-XMMPIXPASA-N 498.491 5.018 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 10059810 OCHHDOHLDBNZDH-FCHUYYIVSA-N 459.893 5.221 5 40 JKBB O=C(CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc12)Nc1ccc(Cl)c(Cl)c1 13511036 VWDJJRZNMJISFF-UHFFFAOYSA-N 492.369 5.699 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 106697961 RPJRMADCWMOUOM-QRVIBDJDSA-N 494.500 5.558 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1 224761800 LHQTXIFVRSNUAU-PKTZIBPZSA-N 473.583 5.646 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(I)c1 409175208 XPUOUZMUBVVJEA-UHFFFAOYSA-N 475.238 5.349 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 409336043 QOEIYVYYOUVDMW-UHFFFAOYSA-N 459.505 6.972 5 40 JKBB CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3c21 2278173 ODEKLVKSYQNNLP-UHFFFAOYSA-N 474.513 6.207 5 40 JKBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 8901636 CETOIWKRHHKUAO-UHFFFAOYSA-N 496.951 5.065 5 40 JKBB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 13609693 LBRBGOPGTFMZBP-UHFFFAOYSA-N 463.877 5.306 5 40 JKBB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 16162218 IVUAOBXGUWPRNU-UHFFFAOYSA-N 467.481 6.786 5 40 JKBB COc1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)ccc1C 22079677 XBALRTRPASFJBG-UHFFFAOYSA-N 476.407 5.984 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 32116658 BKQVTKRZXKYKKF-UHFFFAOYSA-N 488.681 5.777 5 40 JKBB O=[N+]([O-])c1ccc([C@@H]2N=C(c3ccccc3)N=C(N(c3ccccc3)c3ccccc3)S2)cc1 36293462 AZYLXHVICHTYTE-AREMUKBSSA-N 464.550 6.981 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)c([N+](=O)[O-])c1 214350824 ZILRLQSHOOMZTE-RGVLZGJSSA-N 454.435 5.239 5 40 JKBB CC1CCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCCC3)cc2)CC1 225537548 KXDRGLCWNGGUDP-UHFFFAOYSA-N 479.621 5.936 5 40 JKBB CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408634092 OWHDHUWSIPIYSS-UCQKPKSFSA-N 491.525 5.667 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408652916 IOKXMYPOVVZCSB-AGYDLCDTSA-N 479.319 5.001 5 40 JKBB C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408973868 CECJHVYLMHYMMU-MRXNPFEDSA-N 472.577 6.027 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl 409176383 MBCCNBRYYKJKLF-VWLOTQADSA-N 480.904 5.443 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409183933 VKEUPQQGUGIGQV-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB CCOc1ccc(-c2cc(OC(=O)c3cccc([N+](=O)[O-])c3)c3c(C)oc(C)c3c(=O)c2)cc1 1876562 PSFLDIQTQHAZFB-UHFFFAOYSA-N 459.454 5.603 5 40 JKBB CC[C@@H](OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)c1ccccc1 8722143 RFIOAMMMUDLZEF-HXUWFJFHSA-N 450.403 5.114 5 40 JKBB CCC(=O)Oc1cn(-c2ccc(Cl)c(Cl)c2)c2nc(CC)n3c4ccccc4nc3c12 8871228 OTULOZHCWFUABU-UHFFFAOYSA-N 453.329 6.011 5 40 JKBB FC(F)(F)c1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)c1 9369230 PFHUUPHLVRBAON-ZXPTYKNPSA-N 455.439 7.381 5 40 JKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12311627 CVUZWCMSWJGPAZ-UHFFFAOYSA-N 495.413 5.624 5 40 JKBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 13128968 DOEPPFHWZULUIJ-NTCAYCPXSA-N 455.470 5.213 5 40 JKBB Cc1ccc(Sc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2)c(C)c1 13149787 FXAUQXGLPDDXOG-UHFFFAOYSA-N 491.598 5.895 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14278463 MTRGGIHCEZUAPC-UHFFFAOYSA-N 498.587 5.832 5 40 JKBB CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N23)cc1 95101143 KGEYAYVLHDNGOM-KDFQGOFQSA-N 457.530 5.593 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 111453918 JLQQEYBFZWATLP-MOSHPQCFSA-N 492.871 5.211 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(F)cccc1Cl 215138367 JDOPXTNEZBXCEH-VXLYETTFSA-N 458.854 5.884 5 40 JKBB CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl 408565893 DDCOOSUSVAFFGN-LJQANCHMSA-N 481.405 6.008 5 40 JKBB CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 408571403 OQEVHBHUUJTOCK-FQEVSTJZSA-N 491.411 5.464 5 40 JKBB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408624913 VUGMWJAKCOHNRJ-UHFFFAOYSA-N 456.079 6.176 5 40 JKBB O=C(O)/C(=C/c1c2ccccc2cc2ccccc12)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408631684 AJRRWGFWQKYTDM-HMAPJEAMSA-N 457.942 6.649 5 40 JKBB CCc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1 409105367 NBASTJDGFAMMCS-UHFFFAOYSA-N 450.951 6.351 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 409191810 NVADCRFZTJJLFL-VCHYOVAHSA-N 461.282 6.403 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)o2)cc1[N+](=O)[O-] 409235312 ORRQCCGNDFXGIN-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)cc(C)c4)cnc32)cc1 2378145 OVEBCNPZUOEYJO-UHFFFAOYSA-N 461.525 5.288 5 40 JKBB CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1OCc1ccc([N+](=O)[O-])cc1 9410234 QVUSLMBDNQBMHB-UHFFFAOYSA-N 487.512 5.579 5 40 JKBB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 10060356 AYVHQCQJMSUCMJ-DHIUTWEWSA-N 489.919 5.230 5 40 JKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnc(Cl)c(Cl)c1 12623258 HOCWRXVPTPHRLC-KRWDZBQOSA-N 480.691 5.487 5 40 JKBB CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 13129542 XPLKRAJDAFYKJP-FQEVSTJZSA-N 462.937 5.357 5 40 JKBB Cc1c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cccc1[N+](=O)[O-] 14273629 JLMWNKFDCOJFMS-UHFFFAOYSA-N 464.953 5.131 5 40 JKBB CCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 14277569 LGAXKIQUDVSGKY-UHFFFAOYSA-N 488.352 6.829 5 40 JKBB Cc1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OCc1ccc([N+](=O)[O-])cc1 16347544 BQCLATSJMDLFCN-UHFFFAOYSA-N 480.433 5.309 5 40 JKBB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 30883358 FPSYWESTPCXAEH-FIXSFTCYSA-N 461.566 5.227 5 40 JKBB biogenic,in-vitro O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 32124578 QPYBAMLPSVAVRQ-DEDYPNTBSA-N 468.943 6.640 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 34931645 BJAIXZCDTFJRKK-NDENLUEZSA-N 496.932 5.022 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 37073941 CRYDTGWOULSLPD-WAGMSWJSSA-N 460.961 7.124 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 106712197 VGUQREIUSQFROZ-ODLFYWEKSA-N 474.325 5.929 5 40 JKBB O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 408558529 UUIYFAQQOUAKBB-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 409153125 HCGVZWDAEUYLHO-UDWIEESQSA-N 495.538 5.252 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409173932 PRLLSBFLZLLCSO-UHFFFAOYSA-N 473.781 5.214 5 40 JKBB COc1cc(NC(=O)CSc2ncnc3c2sc2nc4cc(C)cc(C)c4cc23)cc(OC)c1 1327856 NNBXBOORGPXNNV-UHFFFAOYSA-N 490.610 5.758 5 40 JKBB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1=O 1864488 SPBBLTXHIYHQOA-UHFFFAOYSA-N 485.370 5.615 5 40 JKBB biogenic Cc1cccc(Oc2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc([N+](=O)[O-])c2)c1 12849477 PSEWGDZVCOCBTL-UHFFFAOYSA-N 475.504 7.163 5 40 JKBB O=C(COC(=O)c1oc2ccccc2c1CSC1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 14358154 JNFXMAOPTSZPEM-UHFFFAOYSA-N 496.541 5.020 5 40 JKBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 14900846 AIPPUBIFLRDBBU-UHFFFAOYSA-N 450.442 5.102 5 40 JKBB C[C@H]1CCCN(c2c(F)c(N3CCCC[C@@H]3C)c(F)c3sc4nc5ccccc5n4c(=O)c23)C1 15320509 FCYJNTRCGZYKFT-HOTGVXAUSA-N 482.600 5.956 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 36316831 DCAZCKMMEAPQGQ-HLPJKERBSA-N 499.592 5.030 5 40 JKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc(C)c1OCc1ccccc1 225565395 GRXZVEVGPHUXRL-UHFFFAOYSA-N 460.530 5.478 5 40 JKBB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409070444 XPXSCPMETSWBSU-CXUHLZMHSA-N 453.303 5.537 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Oc4ccccc4)cc3)c2ncn1Cc1ccccc1 2304191 NJUBYFPJIPTFNV-UHFFFAOYSA-N 495.542 6.124 5 40 JKBB Cc1ccc(Sc2ccc([C@H]3Nc4ccccc4C(=O)N3c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 3327694 ISPQKCBCMXWZLH-SANMLTNESA-N 485.540 6.965 5 40 JKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 4112105 ZGLFUWPLEIZFGZ-UHFFFAOYSA-N 492.509 5.196 5 40 JKBB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8687941 HQPQJXCJJPBFFY-UHFFFAOYSA-N 476.514 5.086 5 40 JKBB COc1ccc(-c2nc3c(c(=O)c(C)nn3-c3ccc(Cl)cc3)c3nc4ccccc4n23)cc1 9449727 ZWGXVZSHKQXJAC-UHFFFAOYSA-N 467.916 5.219 5 40 JKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)CC1 20142818 FTLCNIQJDSQVJR-UHFFFAOYSA-N 452.294 5.088 5 40 JKBB CCc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 22708191 CEQYNQOHMNILFF-UHFFFAOYSA-N 472.501 5.054 5 40 JKBB O=C(Nc1nnc(SCc2ccccc2)s1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224861066 CLVVSSUEJSLVDC-RCCKNPSSSA-N 474.567 5.918 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccccc1 408571124 NRXBKDAWJZTFLN-HSZRJFAPSA-N 464.522 5.404 5 40 JKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 408618694 DZRMQWQFRUECQD-JZKJUIAGSA-N 482.923 5.672 5 40 JKBB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2c3ccccc3cc3ccccc23)C1=O 408803619 RHTZJKPEAINNJI-BETROHKMSA-N 477.653 8.047 5 40 JKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2334959 BNRMTXIDGMRFPP-UHFFFAOYSA-N 453.590 5.989 5 40 JKBB Cc1c(NC(=O)CCCCCCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] 4195946 HSAJNUKPSAIDHQ-UHFFFAOYSA-N 456.499 5.428 5 40 JKBB COc1ccc(-c2nc(-c3ccc(F)cc3)c[n+]3ccc4cc(OC)c(OC)cc4c23)cc1OC 12371359 ZNFOSZURHQAPSV-UHFFFAOYSA-N 471.508 5.481 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 32125193 AIIBNFSUIPMUPA-CYBMUJFWSA-N 484.339 7.476 5 40 JKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 38261817 NBMXAGJZVUEAEY-HCEDEFRUSA-N 462.418 5.126 5 40 JKBB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br 106728068 BPZMAJVOOHNWSC-WQRHYEAKSA-N 477.336 5.383 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921154 TUUIRHYSTXZFCL-LGUFXXKBSA-N 499.548 5.575 5 40 JKBB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1cccc(Cl)c1Cl 408985230 AJAFZSBRUYCZQS-FQEVSTJZSA-N 490.368 6.197 5 40 JKBB O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409179202 KUHLUPDSDRRMNA-UHFFFAOYSA-N 459.479 5.314 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 409351669 VKEYLGMNSQFOAD-UHFFFAOYSA-N 492.344 5.657 5 40 JKBB CC(C)n1cc(OC(=O)c2ccccc2)c2c1nc(-c1ccccc1)n1c(=O)c3ccccc3nc21 3220774 FGKGFRKBQOQHQI-UHFFFAOYSA-N 474.520 5.665 5 40 JKBB Cc1ccc(-c2cc(-c3nnc(SCc4cccc([N+](=O)[O-])c4)n3N)c3ccccc3n2)cc1 3424113 BIPGALYNXXWRAW-UHFFFAOYSA-N 468.542 5.383 5 40 JKBB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)c1 6442734 MQPXTODGZQFEPW-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 8831771 XCSWZVWFQWRTAU-MRXNPFEDSA-N 464.547 5.360 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 10060334 VWNVFFXNPYVZBU-YADHBBJMSA-N 459.893 5.221 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1Cl 16214739 TWXJLSDWVABDHD-UHFFFAOYSA-N 459.905 5.177 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 21595982 OZQTYXCEVBFWAK-UHFFFAOYSA-N 484.556 6.508 5 40 JKBB C[C@@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1 51330365 GGPSCMHZXCLZBZ-AJHMPPJVSA-N 468.513 6.550 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc([N+](=O)[O-])c1C 215028834 CGFGOAKIICCTQP-SRZZPIQSSA-N 479.470 5.616 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 408781847 FHRLMGWRUVULCU-FUFNRSNVSA-N 498.608 6.068 5 40 JKBB COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409112003 BGHUVLBZNMKQFT-UHFFFAOYSA-N 457.324 5.865 5 40 JKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 2244420 GIKFQRGMQVOSLS-YVLHZVERSA-N 462.767 5.872 5 40 JKBB CCCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2761935 SFPPIDMOBXUNMO-UHFFFAOYSA-N 482.558 6.274 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)c1cccc2ccccc12 9062407 GAYOFSSAOQQNRE-UHFFFAOYSA-N 479.452 5.303 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 9592128 YGXOLCNNJAUVLF-AWEZNQCLSA-N 478.505 5.472 5 40 JKBB CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 11852419 SMUWSXZQOSXNOM-CQSZACIVSA-N 457.562 5.232 5 40 JKBB O=C1N[C@H](c2c3ccccc3cc3ccccc23)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 13306919 CYSSUWZIINLFDK-VIZSFHNOSA-N 470.472 5.158 5 40 JKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)F)cc5C5CC5)nc34)c12 22715908 OELCSAPQFIJXQB-UHFFFAOYSA-N 479.438 5.274 5 40 JKBB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cc(Cl)ccc1[N+](=O)[O-] 25423114 CREYUTCVDDPSSE-IBGZPJMESA-N 488.283 5.029 5 40 JKBB Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCCC5)c4)CC3)o2)cc1C 35343418 HBBCHBKWAOTKBY-UHFFFAOYSA-N 488.588 5.424 5 40 JKBB O=C(CCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 59475104 BXUYTYGFYPMUFN-UHFFFAOYSA-N 470.526 5.981 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408694648 LHQMMBPMCBJOCK-UHFFFAOYSA-N 454.273 5.402 5 40 JKBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 409069054 VSFCFRPGIQSJOX-FRKPEAEDSA-N 478.675 5.912 5 40 JKBB O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1CCCc1ccccc1 409142105 LFPXGCRWYSZMCZ-YZSQISJMSA-N 497.576 6.267 5 40 JKBB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409239029 YUGGHSPZKVLXTK-WOJGMQOQSA-N 462.911 5.282 5 40 JKBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 409367724 FBOXZGJBEDTNLQ-QUESLEJDSA-N 472.500 5.139 5 40 JKBB COc1ccc(C2=NN(C(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)[C@@H](c3ccco3)C2)cc1 9127636 VZAAOVVZAXKYOB-LJQANCHMSA-N 494.554 5.276 5 40 JKBB CCCC(=O)Oc1cn([C@H](C)CCc2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 9243669 KALVWYLXAMXSTG-HXUWFJFHSA-N 468.601 6.689 5 40 JKBB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 14277835 CYQMYWPKJLPFBD-UHFFFAOYSA-N 490.947 6.526 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205698171 OHDIMUDNTNPKBV-YBFXNURJSA-N 485.315 5.854 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224345642 KTHDXBZXYUHAHS-DQEYMECFSA-N 469.570 5.520 5 40 JKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225100474 WKMLSPFDRWQCIS-RUZDIDTESA-N 497.661 5.393 5 40 JKBB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)o2)c1 408988063 GSULAPFNMNJYHO-UHFFFAOYSA-N 455.923 6.545 5 40 JKBB Cc1cc(C)cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 2720968 UQQBHGWHOWMFHS-UHFFFAOYSA-N 499.552 5.123 5 40 JKBB COc1ccc2c(c1)CCc1cc(C(=O)Nc3c4ccccc4n4c(C)nc5ccccc5c34)sc1-2 3324254 NBOVSDDPILJCNK-UHFFFAOYSA-N 489.600 7.037 5 40 JKBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1OC 8767708 KOFZBBMMJRCZTQ-WNCULLNHSA-N 473.529 5.978 5 40 JKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 8902983 QUZPSTZUIGWJTE-UHFFFAOYSA-N 484.556 6.769 5 40 JKBB COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCc5ccc([N+](=O)[O-])cc5)ccc34)c(=O)oc12 9319444 TUBQNNSGLJJEQA-UHFFFAOYSA-N 485.448 5.371 5 40 JKBB biogenic COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)/C=C\c3ccccc3)cc2s1 12371106 SAJAXUXFGTVNAE-GHXNOFRVSA-N 477.567 6.157 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463600 AQGBKZFFSVUARM-UHFFFAOYSA-N 471.582 7.244 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1O 79190558 HOODCMQMHZDKMF-UHFFFAOYSA-N 459.502 5.606 5 40 JKBB biogenic Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccccc2O)c(C)c1 408544278 UYCWCXQDUMXDPB-UHFFFAOYSA-N 489.557 5.204 5 40 JKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Sc1nc2ccccc2o1 408632004 CLKNLNMUVFVNBC-UDWIEESQSA-N 484.942 6.758 5 40 JKBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc4ccccc4c2)C3=O)cc1 408997567 HGHLODBFJUYIFL-UHFFFAOYSA-N 488.455 6.067 5 40 JKBB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 8992633 XLUOVFMTGTUWCU-UHFFFAOYSA-N 458.474 5.257 5 40 JKBB CCc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 12530673 POTJAYXBZXAQFS-UHFFFAOYSA-N 457.574 6.177 5 40 JKBB C[N+]1(C)CCC[C@H](OCCCCCCCCCCCCCCO[C@@H]2CCC[N+](C)(C)C2)C1 16892142 CERPRAKKBOGKBI-HNRBIFIRSA-N 454.784 6.178 5 40 JKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154389 RKGLZBLVAWHWSN-RMKNXTFCSA-N 487.343 5.223 5 40 JKBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 138673751 HNYADDICHTXWIO-NNLUDWOUSA-N 480.611 5.884 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 223406838 CFUVXHXCTQPFDQ-RPWUZVMVSA-N 456.527 5.423 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 408558149 RWUKNYFYZHCKNY-UHFFFAOYSA-N 490.297 5.399 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408571321 OHWKMVAITBQCJC-XUCOSSOOSA-N 498.366 5.141 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408998851 OTBMKKGBGHFBJT-QFIPXVFZSA-N 467.909 5.033 5 40 JKBB CCCCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)OCCC)cc1 2110710 JMUGIQOOHSYUGX-UHFFFAOYSA-N 466.559 6.485 5 40 JKBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2211631 HKURHACAIVYLKH-UHFFFAOYSA-N 483.572 5.205 5 40 JKBB Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 9195715 UICCVRJDQQGJSW-UHFFFAOYSA-N 450.545 5.646 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)NCc3ccccc3)cnc2n1Cc1ccc([N+](=O)[O-])cc1 13500038 NLIZRPGWFLPYFW-UHFFFAOYSA-N 472.549 5.361 5 40 JKBB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 13946246 KNFAQZLDRFMBLH-UHFFFAOYSA-N 484.560 5.380 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)c(C)c1 14272786 UNHFGXXPFRCLJZ-UHFFFAOYSA-N 458.522 5.044 5 40 JKBB O=C(CSc1nc2ccccc2nc1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 16492072 UUZXPHNKHOSLSR-UHFFFAOYSA-N 450.907 5.589 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 20611232 HXSZGTQBSPTTRP-UHFFFAOYSA-N 481.512 6.020 5 40 JKBB CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 33747488 PUNZJXHBOPCVSE-IBGZPJMESA-N 473.986 5.186 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Cl 106683828 OMVLQBJTFJKQHS-XKZIYDEJSA-N 480.929 6.064 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215270528 BHKNXIGCSBAQBE-DNTJNYDQSA-N 484.873 5.473 5 40 JKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(-c2ccccc2)cc1 224223492 ABWDJDBZAWNNMJ-UHFFFAOYSA-N 468.509 6.410 5 40 JKBB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408555733 IDVTVGWBRLAAHK-XMMPIXPASA-N 484.961 6.005 5 40 JKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)nc1 408580180 BAAWMZWOFRLYAG-UHFFFAOYSA-N 457.231 5.379 5 40 JKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 408749188 FHYIIXGJEXKEFK-UHFFFAOYSA-N 465.487 5.437 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 409177611 COIORBURDRMQNA-DQEYMECFSA-N 498.491 5.200 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 409179803 TXCSAQDQAAGVON-DQEYMECFSA-N 498.491 5.200 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 409335577 KIOPJEAFCNTYIZ-ZYAQVELZSA-N 460.961 7.124 5 40 JKBB CCCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2089672 JWOGYITUGWJPEI-UHFFFAOYSA-N 458.923 6.104 5 40 JKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2284652 MACXMSHWSSFMFN-UHFFFAOYSA-N 476.378 5.409 5 40 JKBB O=C(O)c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4C3=O)cc2)cc1 3142801 WLBSXKCWXDWRIT-UHFFFAOYSA-N 496.431 5.678 5 40 JKBB CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccc(C(C)(C)C)cc1 3294805 RXXDUDJDVJZEEY-UHFFFAOYSA-N 454.552 5.330 5 40 JKBB O=c1cc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c2c(ccc3ccccc32)o1 3435207 NNUATFFVPBMINT-UHFFFAOYSA-N 489.984 6.397 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 3666930 YPXUPIBHKRXBLM-UHFFFAOYSA-N 484.936 5.526 5 40 JKBB O=[N+]([O-])c1cc(COc2cccc(C(F)(F)F)c2)ccc1Sc1nc2ccccc2s1 8781541 VDNYBPMKYGLRCT-UHFFFAOYSA-N 462.474 6.954 5 40 JKBB COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 9272148 VNLGKTVCIIXHRS-ZKGSSEMHSA-N 460.917 5.245 5 40 JKBB O=C(CSc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1 9716969 KNESIOBDFLAYHO-UHFFFAOYSA-N 454.508 5.064 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 14359081 BEIBRJFWFSHLLP-UHFFFAOYSA-N 463.291 5.462 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 16195813 UPBUOVSJZIBLRT-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 20610636 IDYHXWBCPNZHBS-UHFFFAOYSA-N 497.511 5.973 5 40 JKBB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 27528342 NZXWLTZXCJFQPH-UHFFFAOYSA-N 453.458 5.458 5 40 JKBB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 9288963 QHTACXMXULEXMG-XZOQPEGZSA-N 489.919 5.230 5 40 JKBB CCCCN(C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1)c1ccccc1 13098159 FESACUGOKAIAGD-UHFFFAOYSA-N 468.531 5.118 5 40 JKBB CCc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1 15134689 IRRPFXKRBHSXMR-QFIPXVFZSA-N 453.336 6.346 5 40 JKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 20610622 ONFTYXKJWOGPHU-UHFFFAOYSA-N 467.485 5.964 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c(C)c1 22708182 RGWILGODWAXJHP-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 22716610 CKQLXWKLQJBCMP-UHFFFAOYSA-N 479.924 5.586 5 40 JKBB CC1=C(C(=O)Nc2ccccc2C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccccc2C)=C(C)N1 31829876 JGCYPORZVOCZAD-UHFFFAOYSA-N 496.567 5.724 5 40 JKBB CC1(C)[C@@]2(c3ccccc3)[C@H]3[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)C[C@@H]3[C@@]12c1ccccc1 45070253 TTYZBJSFCZZGFK-JOQJHHFZSA-N 484.508 5.594 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1c(Cl)cccc1Cl 214787616 ZOBYGHNYRGZYTA-VXLYETTFSA-N 475.309 6.398 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224185215 PENFXJBLQVLKAB-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB CC(C)n1c(=O)sc2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21 225132488 YDWVTWSWIUNHTC-KGENOOAVSA-N 459.527 5.731 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)c(Cl)c1 408560104 BYPRLPMLHBJITD-FLFQWRMESA-N 464.374 6.145 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1cccc2ccccc12 408566347 FKJWUTPLPADNRQ-VWLOTQADSA-N 452.510 6.317 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409157633 VMHLMMVZZFTBPW-NHDPSOOVSA-N 468.918 6.362 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 6906617 PGTAIEXNBGNTAN-UHFFFAOYSA-N 480.933 5.598 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc(Cl)cc1Cl 9414229 UDGWHHRDAWDAQO-UHFFFAOYSA-N 470.268 6.152 5 40 JKBB C[C@@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 9544338 PXYIISCYIPDNRK-MRXNPFEDSA-N 493.520 5.013 5 40 JKBB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 13073449 LFUJMIWXJGGFMI-UHFFFAOYSA-N 456.955 6.004 5 40 JKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 13527474 WYHXDVJEDHAGDN-QFIPXVFZSA-N 478.892 5.307 5 40 JKBB COc1ccccc1-n1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nc2cc([N+](=O)[O-])ccc21 14357455 ZJKHNNDOUSOWMM-UHFFFAOYSA-N 487.537 5.958 5 40 JKBB CCO[P@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 16688043 SIAZUKNREOTDBD-RIPCNWKXSA-N 480.417 5.741 5 40 JKBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 101083969 DQEODRQBYMLODR-UHFFFAOYSA-N 465.259 5.383 5 40 JKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(F)cc3)cc2)cc1 408573035 SFUOQLMLOHJCKA-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccccc1 408811325 KXBWZWZLITUEGZ-UCQKPKSFSA-N 455.495 5.839 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409009249 CKNBSBKABKIFMW-PVGUKEHMSA-N 490.965 6.061 5 40 JKBB COc1c2c(cc3c1[C@@H](CC(=O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N+](C)(C)CC3)OCO2 1836881 VHUSTIPJMIYNLH-HSZRJFAPSA-N 478.653 5.892 5 40 JKBB biogenic CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2211142 XROYINWVWUIYRC-UHFFFAOYSA-N 451.574 5.968 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(=O)OCC)c1 2401758 CPFDGIJXDKLYEX-UHFFFAOYSA-N 469.545 5.041 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 6297002 MHOBVTIGUWYQDY-UHFFFAOYSA-N 458.474 5.264 5 40 JKBB CCc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 8832078 CUVDCULCWCRMHZ-UHFFFAOYSA-N 456.502 5.818 5 40 JKBB Cc1ccc(N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)c2ccccc2Br)cc1 8860938 OIPSKQBHJFEFMH-UHFFFAOYSA-N 491.341 6.773 5 40 JKBB COc1ccc(-n2cc(OC(=O)CC(C)C)c3c2nc(CC(C)C)n2c4ccccc4nc32)cc1 9123786 ZSNYZGWUXLSWLT-UHFFFAOYSA-N 470.573 5.985 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc3ccccc3c2)nc2cc([N+](=O)[O-])ccc21 12602205 YVSDFNZNNNLMHN-UHFFFAOYSA-N 484.537 5.826 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nnc(SC2CCCC2)s1 12955909 GNJGBYUZGLJZPL-UHFFFAOYSA-N 452.461 5.559 5 40 JKBB O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 13128945 FIHLZNUGVCTKLD-UHFFFAOYSA-N 460.437 5.315 5 40 JKBB COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1cccc([N+](=O)[O-])c1 16228427 IWZPYVWXMYTTMZ-NRFANRHFSA-N 480.318 5.357 5 40 JKBB Cn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 16323287 GMMZGACWCQQHQF-UHFFFAOYSA-N 472.570 6.070 5 40 JKBB Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCc3cccc([N+](=O)[O-])c3)n2n1 20643428 JHMDOTPFNCPTSN-UHFFFAOYSA-N 495.568 5.379 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 106718608 ZLGOVBZRLWXAPJ-HAHDFKILSA-N 455.495 5.775 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc2ccccc12 409053093 KKLLPLIOUIWCKD-UHFFFAOYSA-N 469.497 6.930 5 40 JKBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1 409113295 HNBYJYNFGDZAKI-UHFFFAOYSA-N 487.537 5.096 5 40 JKBB O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 1839827 QPQWVXVDJCWIKA-UHFFFAOYSA-N 494.547 6.897 5 40 JKBB O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2062614 LXZQXSGXNSGDLQ-UHFFFAOYSA-N 475.244 5.314 5 40 JKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2410161 AUEXAPRPESCJJD-UHFFFAOYSA-N 476.378 5.401 5 40 JKBB Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccnc1 2622429 WDZLTNSNPBVRII-HNNXBMFYSA-N 494.964 5.319 5 40 JKBB Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 2662237 CMLPZIBFOVRCHC-OAHLLOKOSA-N 494.964 5.319 5 40 JKBB O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 3666171 XIDONVXJYLITNF-UHFFFAOYSA-N 481.420 5.763 5 40 JKBB O=C(NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9391899 DWYGEUUANVYTKC-UHFFFAOYSA-N 476.514 5.180 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)Nc3ccc(Cc4ccncc4)cc3)cc12 12374478 PNCGEVXCAZZIJL-UHFFFAOYSA-N 459.483 5.281 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(Cl)cc4Cl)o3)nc12 13643634 PEHQXPHGIWBNML-UHFFFAOYSA-N 496.379 6.650 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)cc1 16323158 FALGSWBYWCQHBU-UHFFFAOYSA-N 483.524 6.657 5 40 JKBB O=c1c2c3c(sc2nc(Sc2nc4ccc([N+](=O)[O-])cc4s2)n1-c1ccccc1)CCCC3 59432017 QLLMMNXBWGRTDM-UHFFFAOYSA-N 492.607 5.995 5 40 JKBB O=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 106687343 DNORSFLBZWMIMF-GRSHGNNSSA-N 475.309 6.398 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 214473896 SLMRYYBPARXJTJ-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1[N+](=O)[O-] 817417 QFQWWAAZYIAEMN-UHFFFAOYSA-N 454.280 5.170 5 40 JKBB CC[C@@H]1CCc2c(sc3nc(Sc4ccc([N+](=O)[O-])cn4)n(-c4ccccc4)c(=O)c23)C1 8427596 YGQSBKVPAXEVKK-CQSZACIVSA-N 464.572 5.417 5 40 JKBB CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3c2C1 8765731 KYPDREOGWANLED-ZDUSSCGKSA-N 462.955 5.946 5 40 JKBB O=C(CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 13371950 YQYGJLOYCQXVNJ-UHFFFAOYSA-N 471.966 5.877 5 40 JKBB COc1cc(COC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c([N+](=O)[O-])cc1OC(F)F 32869276 XGNACDFSMVJUCL-UHFFFAOYSA-N 491.428 5.135 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1[N+](=O)[O-] 226630186 OPUIDKILAPUACF-STPMEKMUSA-N 462.505 5.327 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1 408569070 IPHNILGDYLZWBV-OAQYLSRUSA-N 495.373 6.317 5 40 JKBB Cc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408635189 XVQHLSHGXIYCOE-OYKKKHCWSA-N 485.521 6.265 5 40 JKBB Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 408673896 VZVUPNMPJPBIHQ-UHFFFAOYSA-N 467.481 6.200 5 40 JKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 409340357 VTMHWXYLUYUFSQ-WGOQTCKBSA-N 480.589 6.791 5 40 JKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)ccc1[N+](=O)[O-] 809160 BQGFVGSRIYIRQD-UHFFFAOYSA-N 452.264 5.726 5 40 JKBB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1852313 UGRWNZNKUGWFEG-UHFFFAOYSA-N 481.460 5.658 5 40 JKBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 4786628 ZLKNCWSGMDQTRD-QFIPXVFZSA-N 459.893 5.526 5 40 JKBB CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 6878334 VBZZTZPBIDTBMS-UHFFFAOYSA-N 485.875 5.276 5 40 JKBB Cc1cc(C)cc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)c1 9128892 XNNCRIQYHVVOFE-UHFFFAOYSA-N 463.581 5.819 5 40 JKBB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3cc(Br)cc(C)c3n2)cc1 9371782 PCCLDNABYWXSTR-UHFFFAOYSA-N 490.357 6.750 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2oc3c(ccc4ccccc43)c2C)c2ccccc2)c([N+](=O)[O-])c1 12542154 ABTVJSOHYNHRDA-AREMUKBSSA-N 494.503 6.648 5 40 JKBB Cc1cccc(C)c1NC(=O)CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc12 13511013 ZHUVNLZQZQRZPJ-UHFFFAOYSA-N 451.533 5.009 5 40 JKBB Cc1ccc(-n2nc3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 13946205 CSOKHYAIPOFQED-UHFFFAOYSA-N 463.906 5.758 5 40 JKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1Cl 22568496 ACVDQBSVDJMVGW-UHFFFAOYSA-N 460.726 5.799 5 40 JKBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294262 UZUCWZSCHGXERT-UHFFFAOYSA-N 483.336 6.912 5 40 JKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)cc2[N+](=O)[O-])n1 103057631 BWSQTQSDIWBBJL-QMHKHESXSA-N 489.619 5.095 5 40 JKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409013459 NJWHNSGPDUSKPN-OTGIAGGSSA-N 491.363 5.771 5 40 JKBB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 8691496 ARJBZCFGAHBHDX-OAQYLSRUSA-N 496.516 5.213 5 40 JKBB CCOCCCn1cc(OC(=O)c2ccccc2)c2c1nc(-c1ccccc1)n1c3ccccc3nc21 9111213 QHJNJKAMKDIREN-UHFFFAOYSA-N 490.563 6.150 5 40 JKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 22532665 KWFJGTYBPULFOD-UHFFFAOYSA-N 451.866 5.934 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1 22753021 RDOIQRXHALWSJS-AWEZNQCLSA-N 494.345 6.931 5 40 JKBB CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CC)c(CC)c4C)c(C)c3CC 100121567 GCAZIUOVYQWRGC-UHFFFAOYSA-N 478.684 8.738 5 40 JKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223452220 XSJTZNKLQFTOTC-LJQANCHMSA-N 480.392 5.166 5 40 JKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224706612 NQYKXDNBBUMEGU-HXUWFJFHSA-N 483.634 5.003 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(CNc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 812997 FLIBELFBIQFCHD-UHFFFAOYSA-N 488.573 5.135 5 40 JKBB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 1764214 RFULOEMKJGHASG-AREMUKBSSA-N 459.571 5.604 5 40 JKBB CCc1ccccc1NC(=O)c1ccc(Oc2cc(Sc3ccc(C)cc3)cc([N+](=O)[O-])c2)cc1 2766212 WBPXLONYGXRFLW-UHFFFAOYSA-N 484.577 7.661 5 40 JKBB O=[N+]([O-])c1cccc(S(=O)(=O)[C@@H](Cc2ccccc2)Sc2ccc(Br)cc2)c1 3022541 KXKPVMRKBWNLDK-FQEVSTJZSA-N 478.389 5.492 5 40 JKBB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c([N+](=O)[O-])c1 6924667 KBHHZRYLTCNDTO-UHFFFAOYSA-N 468.296 6.378 5 40 JKBB COc1ccccc1N1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O 8385910 RVFMGGCBNLDDJM-UHFFFAOYSA-N 473.872 5.954 5 40 JKBB Cc1c(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)cccc1[N+](=O)[O-] 13141091 DMNAKVNPRNDDKG-UHFFFAOYSA-N 469.542 5.537 5 40 JKBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)N1CCc2sccc2C1 26405110 LJCYGUWJYBPGLJ-UHFFFAOYSA-N 455.923 5.069 5 40 JKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)N1CCc2ccccc21 44086858 OGPAVAJRGWANHT-UHFFFAOYSA-N 470.554 5.437 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224386983 AECILSYTIXBVES-FTJBHMTQSA-N 484.581 6.550 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 408569102 IVEJBENPJSIYRR-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 408673861 VVQIDCCNHQKNSV-UHFFFAOYSA-N 467.481 6.200 5 40 JKBB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 408700891 NSOHKDFMTRHTGO-UHFFFAOYSA-N 491.978 5.048 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 408931996 AOPQWTFVKVVPMZ-JAIQZWGSSA-N 497.916 5.492 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 409109352 CBCLOQLESDIMTH-UHFFFAOYSA-N 460.917 7.232 5 40 JKBB O=C(Nc1ccc(Br)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409268534 VFONENNVQXSTFJ-LDADJPATSA-N 457.711 6.190 5 40 JKBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccc3c(c2)OCO3)c1Sc1ccccc1[N+](=O)[O-] 2718498 SVNQGIKBTYNJHS-UHFFFAOYSA-N 475.482 5.188 5 40 JKBB O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1Cl 8424319 HTABDCGJNWYFSI-UHFFFAOYSA-N 498.018 5.821 5 40 JKBB CCCc1oc2c(cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1C(=O)OCC 8974100 DEJIPRPWPQLLGT-UHFFFAOYSA-N 482.514 5.424 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)nc12 10010627 BRBOHYVLUAJJCU-HWKANZROSA-N 490.324 6.432 5 40 JKBB O=C(c1oc2ccccc2c1CSC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12546693 DKXUXDKXHKCFHX-UHFFFAOYSA-N 479.602 5.869 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 16611099 FEXYFBCBNRJKCB-HNNXBMFYSA-N 488.569 6.352 5 40 JKBB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 22537783 MHTIYINWBDIBQV-JXMROGBWSA-N 455.923 5.651 5 40 JKBB N=C1S/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)C(=O)N1c1nccs1 33570094 ZDWDQLSNCDQUGM-YNQUSLBMSA-N 472.935 5.339 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 59474825 CUIUYHZVGWUFDW-UHFFFAOYSA-N 498.973 5.841 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224445452 KJSMDVGYDWXHIT-GOTSBHOMSA-N 460.490 5.566 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408558336 RDPCQGOQDZBOFM-UHFFFAOYSA-N 467.736 6.755 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408558981 TXZORFGRKYPGEL-UHFFFAOYSA-N 463.368 5.935 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(Cl)cc(Cl)c2)cc1 409025968 CDCLIXJKXSXFAH-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Cl)cc1 409159408 ZXVPOUGYZSTLGR-YBFXNURJSA-N 483.889 5.183 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1c2c(nc3ccccc13)CCCC2 409174280 QQCAAGKTCAGFLQ-UHFFFAOYSA-N 454.482 6.171 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409208766 DEUXGPJSDMMVAR-KGENOOAVSA-N 477.498 5.070 5 40 JKBB CCOc1ccc(-c2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)c3c(C)oc(C)c3c(=O)c2)cc1 1881434 SEOWUFNKLWVBRV-UHFFFAOYSA-N 459.454 5.603 5 40 JKBB biogenic COc1ccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1OC 8739024 QICAGNBWMHRRCN-GBXCKJPGSA-N 465.893 5.508 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)sc2c1 8899042 KPJKJCYJQCQYGQ-UHFFFAOYSA-N 474.542 5.269 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8919637 MXNCFJFGMMLGBA-JLCFBVMHSA-N 465.575 6.886 5 40 JKBB O=C(Oc1c(Br)cc(Br)c2cccnc12)c1ccc(Cl)cc1[N+](=O)[O-] 11613926 QYNMFJIVOGUKOD-UHFFFAOYSA-N 486.503 5.541 5 40 JKBB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 14277908 FUMXNJAHDQJFQR-UHFFFAOYSA-N 490.947 6.471 5 40 JKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 16692001 YOKYRLKXMVJKBZ-UHFFFAOYSA-N 496.932 5.582 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 39860675 DGKPFCDGAUHZDY-VCHYOVAHSA-N 461.282 6.403 5 40 JKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-] 72229349 AIZNDLVENKOJSA-LBPRGKRZSA-N 452.736 5.642 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccc(C)cc4)CCC[C@H]3[C@@H]2c2ccc(C)cc2)n1 97437077 JUQKZCJFATZVTA-YWQAOIHBSA-N 483.572 5.865 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 106733977 WQPFPINRLKEPGT-UUASQNMZSA-N 471.691 5.386 5 40 JKBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223437351 DXFCVCLAKMRJCX-RPBOFIJWSA-N 486.553 5.431 5 40 JKBB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N12 261829852 UZEAWJJXHFUBFP-AHSYCRJWSA-N 469.932 5.669 5 40 JKBB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)c1 409406275 BFVMZXJJOFKEJT-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@@H]([C@@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1)N1CCCCC1 1745103 VFBMXCBUXZNAED-DNQXCXABSA-N 455.986 5.513 5 40 JKBB CCOc1ccc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1OC 3772265 QMDCXFCWCAZYQP-UHFFFAOYSA-N 462.347 5.956 5 40 JKBB Cc1nc2sccn2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)c2cc(F)ccc2F)s1 12531017 DQPAWZXBUKKZGR-UHFFFAOYSA-N 482.493 5.912 5 40 JKBB CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)[C@H]1c1ccccc1 16974665 PNYRIVWWRCNSJU-YWEHKCAJSA-N 498.539 5.445 5 40 JKBB Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)n1 44087360 HTYLPGYMOVRNNG-UHFFFAOYSA-N 485.978 5.597 5 40 JKBB Cc1nc2c3c4c(sc3n3c(SCc5ccc(Cl)cc5)nnc3n2n1)COC(C)(C)C4 2437762 PQNBXKCKHAWCFX-UHFFFAOYSA-N 471.011 5.092 5 40 JKBB Cc1ccc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c([N+](=O)[O-])c1 9463546 KRZNILOQRINRFZ-GOSISDBHSA-N 451.533 5.222 5 40 JKBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C 10120393 SFJPSLIOWGDRNF-UHFFFAOYSA-N 484.556 5.940 5 40 JKBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 13946339 VBQONJWSVJWXFS-UHFFFAOYSA-N 495.278 6.617 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14272247 VRXCEWPXYHSQQY-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)c(Cl)c2)cc1 19856656 BMJGXZSOKRDYGT-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1)N1CCCC1 44087817 NHIALAKBPWESIX-UHFFFAOYSA-N 476.480 5.181 5 40 JKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc2ccccc2c1 224646277 IBWKOSHGDSDQOO-UHFFFAOYSA-N 456.498 6.286 5 40 JKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225068760 DRJBRIUMWLZUIA-RUZDIDTESA-N 497.661 5.393 5 40 JKBB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 408562120 MUYVAZLQGYYOFT-QOCHGBHMSA-N 480.771 5.610 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 408564860 APCWFLLEEYIMDQ-DEOSSOPVSA-N 476.558 5.273 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)c1ccc(Cl)cc1 409340606 ABJLDBDDAUSODJ-RGVLZGJSSA-N 468.874 5.427 5 40 JKBB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 868990 PLYSXWBRSSIAJU-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB Cc1c(Cl)c(-c2c(Cl)c(C)c(Cl)c([N+](=O)[O-])c2Cl)c(Cl)c([N+](=O)[O-])c1Cl 1692555 RKMYVKBGFHNXFA-UHFFFAOYSA-N 478.930 7.707 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3n2)cc1C 1852454 ITIPYEADAAANQR-UHFFFAOYSA-N 474.900 6.120 5 40 JKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F 3235672 YKGWPXQGGWFIEB-UHFFFAOYSA-N 457.835 6.461 5 40 JKBB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 8827160 OROOKHIFKZKGLO-UHFFFAOYSA-N 450.834 5.486 5 40 JKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 8903216 AZFOXGGHAUDEJT-UHFFFAOYSA-N 482.562 5.404 5 40 JKBB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13135291 VYQDFQLTPDVZBN-UHFFFAOYSA-N 462.405 5.746 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 13632794 PYYDZLKCMBRJSL-UHFFFAOYSA-N 476.558 5.271 5 40 JKBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c(C)n1C[C@H]1CCCO1 14359355 MDXGSLXTVZZZBX-HXUWFJFHSA-N 494.569 5.383 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1 16712752 ZTTXKQGQVMITLV-UHFFFAOYSA-N 494.530 5.461 5 40 JKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1[N+](=O)[O-] 32116644 AOLIWZMUAYIEAE-UHFFFAOYSA-N 468.263 5.432 5 40 JKBB O=C(O)c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408962591 ZNYOWOGMBMCEMP-XKZIYDEJSA-N 490.493 5.109 5 40 JKBB COc1cc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)cc([N+](=O)[O-])c1OC 408987026 USKPURWVNWBGPC-UHFFFAOYSA-N 467.503 5.518 5 40 JKBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(-c2ncc(-c3ccccc3)o2)cc1 821792 RROIJFQBYTWPAL-UHFFFAOYSA-N 461.433 5.871 5 40 JKBB CCOc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3Cl)s2)cc1 2680240 BQMXDYIMJYIKKV-UHFFFAOYSA-N 494.960 6.766 5 40 JKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)cc1Cl 8836762 QEJMYHKBJAQCBW-UHFFFAOYSA-N 495.970 5.611 5 40 JKBB O=C(Nc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1Cl 9634558 LHGUIKOKEMPYDG-UHFFFAOYSA-N 496.947 5.443 5 40 JKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccccc1[N+](=O)[O-] 9846213 YXEOVFWSSULLMN-UHFFFAOYSA-N 452.879 5.183 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)n1nc(NCc2cccc(Cl)c2)nc1NCc1cccc(Cl)c1 9847094 QBDWYDMABWJIJD-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 14274980 HLVXNFJTHNABOC-FNORWQNLSA-N 476.341 5.996 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1c[nH]c2ccccc12 408568150 HTQCAHVICFERFW-LJQANCHMSA-N 459.304 6.601 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 408613603 YRWBVLGULASFMX-UHFFFAOYSA-N 475.314 6.086 5 40 JKBB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 408695609 RPODHJGAJQNQGM-UHFFFAOYSA-N 468.300 5.710 5 40 JKBB Cc1ccc(N(C)C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C 408975087 JXZYMFZFBXCJGA-UHFFFAOYSA-N 458.525 6.165 5 40 JKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 2333708 TYLDDPSCBKVOHI-UHFFFAOYSA-N 499.924 6.310 5 40 JKBB Cc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)c(Cl)c2)c1 2407077 YDSGLNBRMWCKQF-UHFFFAOYSA-N 472.335 5.888 5 40 JKBB CC(C)(C)c1ccc(Oc2ccc(/C=C3/N=C(c4cccc([N+](=O)[O-])c4)OC3=O)cc2[N+](=O)[O-])cc1 3322393 ZKHXQQTYSHXEOZ-FYJGNVAPSA-N 487.468 5.937 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)ccc3o2)cc1OC 8903925 CQWKEZFPCWRZGQ-UHFFFAOYSA-N 499.479 6.241 5 40 JKBB CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(C)c2c(c1)oc(=O)c1ccccc12 11667140 AOXKFTPJFDNTGD-QFIPXVFZSA-N 491.565 5.208 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Oc1ccc(NC(=O)c2cccs2)cc1 22004237 PCNQLXPECUZTIR-UHFFFAOYSA-N 454.507 5.074 5 40 JKBB CCCCc1ccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(CCCC)cc3)C2=O)cc1 100144168 NELLOWWVGCNFIB-GDLZYMKVSA-N 483.612 7.364 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(F)cc1 102741969 KHIKRHXUAYKXPT-SDHSZQHLSA-N 499.454 5.045 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214524867 DCTDGLHJIOWOAQ-CIAFOILYSA-N 477.498 5.336 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224254691 XHDPJYUSXLJISX-DNQXCXABSA-N 456.527 5.735 5 40 JKBB Cc1cccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409104551 JSEPSRLSHCHLEP-UHFFFAOYSA-N 470.476 6.245 5 40 JKBB O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccc(Cl)cc1 409172511 JPXQSFLWEUQFIX-YVLHZVERSA-N 488.681 5.368 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 869873 BGTVWQSJQPUEBK-UHFFFAOYSA-N 451.552 5.262 5 40 JKBB O=C(Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1)c1ccccc1 1867063 PSZCFCGLXORKBI-UHFFFAOYSA-N 468.465 5.996 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nnc(Nc2ccccc2)s1)c1ccccc1 2663057 WCRZZSYFHPGVDV-LJQANCHMSA-N 497.989 6.315 5 40 JKBB O=C(CCC(=O)c1cccs1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 12602361 WJDGIOHTGRSKMM-OAQYLSRUSA-N 472.906 5.196 5 40 JKBB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 16311730 GPTDRQLUWHTGAN-UHFFFAOYSA-N 484.560 5.434 5 40 JKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cccc2c1Cl 57313148 CZXHVBQXPBYMCE-ZHACJKMWSA-N 457.939 5.643 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)Nc1ccccc1[N+](=O)[O-] 59474801 OLGWTQHHZUZLQE-UHFFFAOYSA-N 482.518 5.327 5 40 JKBB CC1CC[N+](Cc2ccc([N+](=O)[O-])cc2)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 226072316 HVUAMWJYFYBZIY-OSNKGAMLSA-N 461.582 5.448 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)c([N+](=O)[O-])c1 226363853 QPMOLPZWDCUGLN-UKTHLTGXSA-N 488.952 7.659 5 40 JKBB O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O 408757872 RBJWSTWIQYCNFC-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB O=C1S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916492 DLMQTZLJBQHFNB-WOJGMQOQSA-N 478.511 5.452 5 40 JKBB CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 409117502 ODDKQVFIRFWYBM-UHFFFAOYSA-N 486.018 6.562 5 40 JKBB COc1ccccc1OCc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409179145 PZZWQYNQYPHEBV-NDEPHWFRSA-N 497.503 5.963 5 40 JKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 409179438 NMMZHPWYZALIOQ-FYJGNVAPSA-N 477.498 5.092 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)cc2)cc1 409336296 NFVZXUXTZIWJSO-ZYAQVELZSA-N 471.513 6.379 5 40 JKBB Cc1noc(NS(=O)(=O)c2ccc(NCc3c4ccccc4nc4cc(Cl)ccc34)cc2)c1C 5614311 CFEOHMPNPADFAA-UHFFFAOYSA-N 492.988 6.059 5 40 JKBB CC(C)COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 6134891 FTCBFFKAQCEDLN-LFVJCYFKSA-N 459.502 5.039 5 40 JKBB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)CCCn1nc([N+](=O)[O-])c(Cl)c1C 8682550 PPMSHMLIYGEHNW-UHFFFAOYSA-N 499.786 5.340 5 40 JKBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1cc(Cl)ccc1Cl 8935177 LKEBHHAHYRJCAT-UHFFFAOYSA-N 476.272 6.173 5 40 JKBB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 9044283 VXLOLVJWRWBFPR-MDWZMJQESA-N 490.991 5.265 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl 9232643 KLQHYTWFFKCCSE-WSDLNYQXSA-N 498.919 6.203 5 40 JKBB CCCOc1cccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1 9510727 FYVZQIXGAWQCGR-XMMPIXPASA-N 466.493 5.781 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)nc12 10010598 KINLMAMEDQZPMN-UHFFFAOYSA-N 454.316 5.987 5 40 JKBB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 12645327 NEUMETKCWWRIMC-UHFFFAOYSA-N 461.499 5.656 5 40 JKBB Cc1cccn2c(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c(-c3ccccc3)nc12 14729740 WMQCVNJNVFXVAG-UHFFFAOYSA-N 458.521 5.417 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20145352 QOIFSKSMQHEYCI-XYOKQWHBSA-N 464.861 5.912 5 40 JKBB COc1cc(-c2noc(-c3ccc(NCc4ccc(C)cc4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 20897832 UOUJSNJJYHELIP-UHFFFAOYSA-N 476.489 5.258 5 40 JKBB CC1=C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 21985086 LTAFGCWFKPSPGC-XLVNMLQSSA-N 486.740 8.431 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 22567820 SLIICLJLMYQHIG-AWEZNQCLSA-N 460.446 6.077 5 40 JKBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1Br 95470783 FXMDJPNPFWBISQ-UHFFFAOYSA-N 476.080 5.074 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 106741208 ALFBQCIFBOXCQO-ODLFYWEKSA-N 457.870 5.415 5 40 JKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC 225757009 OXUDMHLNIVBUPI-UHFFFAOYSA-N 454.523 5.401 5 40 JKBB Cc1cccc(NC(=O)COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)c1 408556489 IZCZCXLDAFOQJA-UHFFFAOYSA-N 470.323 5.295 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccccc1 408572424 RDMDIHSCLALDSU-HSZRJFAPSA-N 464.522 5.404 5 40 JKBB Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 409093572 AKMMVMBBBCANRW-UHFFFAOYSA-N 490.894 6.974 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1cccc(Br)c1 409203581 YSQQPGWEVOIXPU-UUASQNMZSA-N 488.146 5.901 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Br)cc2)cc1 409205305 HACVSLXKBWPUCM-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccccc1Cl 2061357 GRLJKNKNWYGNNO-MTJSOVHGSA-N 492.915 5.879 5 40 JKBB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])c(C)c2)c1 2110482 VDINKGAMNBIDDV-SANMLTNESA-N 473.529 5.216 5 40 JKBB biogenic,in-vitro Cc1ccc(-c2csc(NC(=O)c3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)n2)cc1 3352208 FCWPUNNCQKACEN-UHFFFAOYSA-N 495.538 5.047 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 9518519 XSQWWTAKIIBEKJ-UHFFFAOYSA-N 493.859 5.270 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl 22819749 YURDETHLQCFXCS-RMKNXTFCSA-N 498.973 5.953 5 40 JKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 32121148 LSVANRFLUNGHLV-BKUYFWCQSA-N 482.970 6.636 5 40 JKBB O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 408676555 DJISDTTZIXSDTE-VGNMNXCYSA-N 491.503 5.296 5 40 JKBB CCCOc1cc2nc3c4cc(Br)ccc4n(CCC)c3nc2cc1OCCC 2286486 YMGMWXDJROTUIJ-UHFFFAOYSA-N 456.384 6.488 5 40 JKBB O=C(Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1cccc(Cl)c1 9056521 PXPLDNAWWSKPDV-UHFFFAOYSA-N 461.861 6.013 5 40 JKBB COc1ccc([N+](=O)[O-])cc1N=[P@@](Nc1cccc(C(F)(F)F)c1)(c1ccncc1)C(C)(C)C 12559517 KPAZCRXNJQDACZ-UMSFTDKQSA-N 492.438 7.001 5 40 JKBB Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc(-c2nc3cc(Cl)ccc3o2)c1O 13655897 JSYKWYYTQKMUMK-UHFFFAOYSA-N 453.838 5.088 5 40 JKBB Cc1c(C(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)c(-c2ccccc2)nn1-c1ccccc1 16249541 XSPXMGWKLPUWLH-UHFFFAOYSA-N 491.507 6.196 5 40 JKBB CSc1ccc(CN(Cc2ccc(SC)cc2)[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 32925378 VPUICQZXBVWLTH-LOSJGSFVSA-N 484.643 5.135 5 40 JKBB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)n(C)n3)n2)cc1 35683061 NAJJQSACOXFHEZ-UHFFFAOYSA-N 463.519 5.078 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3ccc([N+](=O)[O-])s3)C2=C(O)C1 103997929 QGHAWIVQEPTQIX-XMMPIXPASA-N 473.554 6.763 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 224037211 QTALHFGZEVBEKP-BJKOFHAPSA-N 486.509 5.156 5 40 JKBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 224588868 IRWYYUFEHGJYJV-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1 409227893 SOUDQZWSNHQFKN-CAOOACKPSA-N 458.257 5.255 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1Cc1ccc(Cl)cc1 2240677 CPMSVCSLJKRFTO-UHFFFAOYSA-N 451.917 5.044 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4)n3-c3ccc(F)cc3F)c1)OCOC2 3303493 INBWPDYDEFQKMT-UHFFFAOYSA-N 482.468 5.280 5 40 JKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1-c1ccc(C(F)(F)F)cc1 3336863 NWZIYSKCZZWURH-UHFFFAOYSA-N 474.434 6.989 5 40 JKBB Brc1ccccc1-c1nc2c3ccccc3c3ccccc3c2n1Cc1ccccc1 8442335 QZPXPXPAUHCLJV-UHFFFAOYSA-N 463.378 7.821 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1[N+](=O)[O-] 10120188 RRLUOLWRAUMIDE-UHFFFAOYSA-N 493.472 5.080 5 40 JKBB O=C(c1ccc(Br)cc1)[C@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 12062440 NVSRYIFVBUTHEE-UARRHKHWSA-N 475.342 5.345 5 40 JKBB COc1ccccc1-n1c(SCC(=O)NCc2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 13096892 JDTUHRVBHFKYCO-UHFFFAOYSA-N 482.949 5.004 5 40 JKBB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 15304549 RLLGLTGNNICWKH-FYJGNVAPSA-N 478.888 5.570 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917340 RJZVVEMYIQTWEM-LPYMAVHISA-N 480.929 6.064 5 40 JKBB CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409119724 UBFXEGJSAOHGSU-UHFFFAOYSA-N 479.627 6.525 5 40 JKBB CCCCCCc1cc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(=O)oc2cc1OC(C)=O 1810690 ZAZDDNIBQHOTNQ-UHFFFAOYSA-N 492.553 6.540 5 40 JKBB O=c1nc2n(c3scc(-c4ccccc4)c13)Cc1ccccc1[C@@H]2Sc1ccccc1[N+](=O)[O-] 3227536 FCFRWJMAGXAMCQ-QHCPKHFHSA-N 483.574 6.277 5 40 JKBB COc1c2c(cc3c1[C@@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 9043459 DOTASAVNOLKOGW-OWAUWMPXSA-N 494.696 6.125 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2c1 10035085 NNLXUUGQQPSGFD-NTCAYCPXSA-N 465.465 6.623 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C(C)(C)C)C3 12469608 UHIPUGGRHKHVCI-AWEZNQCLSA-N 470.620 5.790 5 40 JKBB O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12571278 JTOWPAODLQGDRT-UHFFFAOYSA-N 498.627 5.523 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(F)cc6)o5)nc34)c12 13643710 XJSWLZSAKQCVMG-UHFFFAOYSA-N 481.459 6.111 5 40 JKBB O=[N+]([O-])c1ccc2nc(/C=C/c3sc(N4CCOCC4)nc3-c3ccccc3)sc2c1 14360524 HENSHXMGLAZTPB-CMDGGOBGSA-N 450.545 5.335 5 40 JKBB COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 16037622 VNLGKTVCIIXHRS-OJJQZRKESA-N 460.917 5.245 5 40 JKBB O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16399061 JMPSOVYTWZAPQI-UHFFFAOYSA-N 479.842 5.489 5 40 JKBB c1cc2ccc3c4ccc5ccc6ccc7ccc8c9ccc%10ccc1c1c2c3c(c9c%101)c1c4c5c6c7c81 64624956 BEWSIRCXMVBNRU-UHFFFAOYSA-N 472.546 10.999 5 40 JKBB in-vitro c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5ccccc45)c4ccccc34)ccc2c1 222961219 FZVZZGGJKOFZSQ-UHFFFAOYSA-N 480.610 10.787 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1 224451796 RACSCUPHXNYNFJ-XZOQPEGZSA-N 460.490 5.566 5 40 JKBB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225507065 XZWPYXGXBCVUAF-UHFFFAOYSA-N 451.567 5.300 5 40 JKBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(S[C@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)nc3ccc([N+](=O)[O-])cc31)C2=O 253591134 OIQAHDMGJUIHAG-XJTMLBNNSA-N 495.645 5.997 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408826556 JUARKQQFEWZKEE-UHFFFAOYSA-N 494.370 6.709 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 409171076 XYFOUYISTMHSBC-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409199490 DSCMVFKWQSZZFZ-WSDLNYQXSA-N 496.928 6.077 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 8833306 RQMPCMOCEVJOGT-ZZXKWVIFSA-N 496.759 6.341 5 40 JKBB CCc1cc2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)ncnc2s1 9284606 YUOJFJHTJGKRNL-SECBINFHSA-N 456.471 5.300 5 40 JKBB C[C@H](Nc1cc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 9720469 BUWNINVOIAVDKJ-PCLFDXGNSA-N 490.991 5.783 5 40 JKBB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060375 SIRVFMMLQMZYMZ-XZOQPEGZSA-N 489.919 5.230 5 40 JKBB CCOc1cc(/C=C2/N=C(c3ccccc3)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 15305868 VSTSDHZODUNYBK-FYJGNVAPSA-N 477.904 5.143 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 16115982 PXKSZLNWUBATKZ-ZKBLBJRCSA-N 462.505 5.327 5 40 JKBB CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3cc4ccccc4cc23)cc1 90765480 ZVYVRXAIGFRABK-UHFFFAOYSA-N 492.706 11.075 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 101022563 WYOFTZMRJCIWMX-PZVJUEDKSA-N 482.475 5.033 5 40 JKBB COc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccc(Cl)cc3c2=O)c1 101365141 GDNKVNKBFNJVSJ-UHFFFAOYSA-N 450.834 5.283 5 40 JKBB O=C(NCc1ccccc1CN1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224807291 HCAIYDPBCIJKSY-ZXVVBBHZSA-N 455.558 5.438 5 40 JKBB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409246502 CBBVQCHYYPTXHJ-WOJGMQOQSA-N 497.356 5.553 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Br)cc2)cc1 2255430 BCJBRIJDRVIIQN-UHFFFAOYSA-N 496.368 5.403 5 40 JKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2414529 IYDAEBCASWOHIX-CYBMUJFWSA-N 462.351 5.326 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 8885835 USXQLNOIQKVAAQ-QRWLVFNGSA-N 466.567 5.039 5 40 JKBB CC1CCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 9461833 NQRRXYJSOMYOLD-UHFFFAOYSA-N 467.569 5.475 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1Cl 22567492 GUBUKUXIBAWFAP-RMKNXTFCSA-N 459.886 5.482 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224448670 PWZJZUQEHYEZHG-RPWUZVMVSA-N 490.516 5.575 5 40 JKBB O=C(NCCSCc1cccc(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408906821 IOTBXDLHQQUVJH-XQNSMLJCSA-N 452.963 5.838 5 40 JKBB O=C(O)c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 408999110 WJMIRUYJPKXUEC-FGHDPXIGSA-N 470.525 6.169 5 40 JKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Br)cc2)nc2ccccc12 409176914 ATOAKRHSXDWLAN-UHFFFAOYSA-N 463.287 5.930 5 40 JKBB Cc1c(Cl)cccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409177761 CTCGUHITUJEJOD-RUZDIDTESA-N 480.904 5.443 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1C 409355743 KSBSXIMJTCBMDJ-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=C(Oc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 4258682 KGINBHROJYSFGL-UHFFFAOYSA-N 490.468 5.989 5 40 JKBB O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8831793 SKCRWAZPHPSDGX-UHFFFAOYSA-N 457.958 5.024 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1[N+](=O)[O-] 8916211 PFCZXPOWZBLOPV-UHFFFAOYSA-N 476.514 5.155 5 40 JKBB COc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1OC 9242669 UUSTWQLKWWLDBZ-UHFFFAOYSA-N 472.545 5.528 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 9829790 QYNGPHBFFVEKBS-HWKANZROSA-N 458.471 5.186 5 40 JKBB C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 11276495 TXKGFBRPBLWDOO-AWEZNQCLSA-N 469.324 5.032 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 13302037 OICFMWBDNMEDPC-HRBYOKDJSA-N 471.944 6.685 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2cc(C)ccc2C)c1C 13388531 QWMUXHQSQMVWOF-UHFFFAOYSA-N 481.530 5.181 5 40 JKBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 13527471 WYHXDVJEDHAGDN-JOCHJYFZSA-N 478.892 5.307 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 32125451 XLWQWTPLIRNOBJ-ZDUSSCGKSA-N 484.339 7.476 5 40 JKBB CC(=O)c1s/c(=N\c2ccccc2)n(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C 101375731 VVLNSKLYHZKENL-QOMWVZHYSA-N 464.469 5.332 5 40 JKBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224261030 OOFSWQCQPOVUFN-AREMUKBSSA-N 487.600 5.001 5 40 JKBB CC1CC[N+](Cc2ccccc2)(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 226070119 UDENERIYCZQOBQ-SDBCIHFPSA-N 496.756 6.485 5 40 JKBB CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 409112462 GJOHGOPBOBLDRR-UHFFFAOYSA-N 486.018 6.562 5 40 JKBB COc1ccc2cc(-c3nc4c([nH]3)c3c(C)coc3c3ccc5c(C)cccc5c34)c(O)nc2c1 1547211738 ZNTCYHJFGGRTHL-UHFFFAOYSA-N 459.505 7.162 5 40 JKBB biogenic CC[C@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2428942 HSGGXMMUCFOOLN-SFHVURJKSA-N 453.590 6.152 5 40 JKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765786 SIUOTZZJCUWVNF-UHFFFAOYSA-N 492.509 5.196 5 40 JKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 8974196 AKTRGFBJGVUCFZ-UHFFFAOYSA-N 480.498 5.294 5 40 JKBB CCCCCC(=O)Oc1cn(CCC(C)C)c2nc(CCCCC)n3c4ccccc4nc3c12 9243350 FLISXUIZXJRRFY-UHFFFAOYSA-N 462.638 7.102 5 40 JKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccco3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 9374537 FFFLOVVIXQLYBY-DEOSSOPVSA-N 495.926 6.807 5 40 JKBB C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9596459 YSBJJXTYKMELLG-MRVPVSSYSA-N 472.794 6.405 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ccccc5s4)ccc3C)o2)c([N+](=O)[O-])c1 10059510 FTJLFGJFFXFPLU-UHFFFAOYSA-N 469.522 7.001 5 40 JKBB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 10060358 AYVHQCQJMSUCMJ-XZOQPEGZSA-N 489.919 5.230 5 40 JKBB O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12)Nc1cccc([N+](=O)[O-])c1 13510980 UGRHGHXSIJQJHN-UHFFFAOYSA-N 457.924 5.046 5 40 JKBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 13786644 NEQWCIJYNLWUAJ-XXBNENTESA-N 494.301 5.328 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 20610634 ASZVCOIQAGSOST-UHFFFAOYSA-N 481.512 6.273 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 103126918 CHUXSZHUUIMECI-WOJBJXKFSA-N 484.295 5.198 5 40 JKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223796786 JLXWCHFIZUCKIU-QFIPXVFZSA-N 492.041 5.205 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 225053239 DXPUGKIXGVHQNC-CLJLJLNGSA-N 498.612 5.255 5 40 JKBB Cc1c(Cl)cccc1-n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccncc1 3477071 KFJNXWVRTFHWGQ-UHFFFAOYSA-N 495.948 5.358 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 8855415 ZQFFFICQSHPZDZ-UHFFFAOYSA-N 495.845 5.949 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc(CC)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 8871248 QTBZCLGTMOHOSI-UHFFFAOYSA-N 468.601 6.827 5 40 JKBB Cc1ccc(-c2nn3c4ccc(NC(=O)c5ccccc5Cl)cc4nc3c3ccccc23)cc1 9057676 IDKGIAIYHKBZBA-UHFFFAOYSA-N 462.940 6.917 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 9367120 OZEHMDZMGSVRKS-UHFFFAOYSA-N 474.586 5.761 5 40 JKBB C[C@@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 13131066 FJSSRNQXJVQSDB-MRXNPFEDSA-N 463.515 5.158 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13541246 AEMQDLSNILVURF-NLJXWPIHSA-N 499.592 5.030 5 40 JKBB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=C(O)C1 102453489 RBVRSMMSNLMQSZ-XMMPIXPASA-N 463.921 7.380 5 40 JKBB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]3(C)[C@H]1CC2 118925230 GILPMOAHSFSFMF-QNLPAZNUSA-N 468.550 6.381 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224474493 CBHWADYYDBILOF-PKTZIBPZSA-N 475.961 5.611 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1 225061427 MCCZUVRWLPIYTE-UIOOFZCWSA-N 499.596 5.725 5 40 JKBB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1 408634071 OOLHMXMITGZXRY-UUYOSTAYSA-N 478.482 5.541 5 40 JKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 409109671 JCLUURICPDXZIP-UHFFFAOYSA-N 495.362 7.885 5 40 JKBB O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 882916 QVBDZNHCYNSFMA-UHFFFAOYSA-N 494.964 5.172 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cc(C)ccc2C)cc1 1078728 FBVARRFIBFKCMK-UHFFFAOYSA-N 463.519 5.008 5 40 JKBB COP(=O)(OC)Oc1c(O)c2cccc3c(O)c(OP(=O)(OC)OC)c4cccc1c4c23 1637908 OGQUWVNVUCTYSF-UHFFFAOYSA-N 482.318 5.555 5 40 JKBB Cc1cc(NS(=O)(=O)c2ccc(NCc3c4ccccc4nc4cc(Cl)ccc34)cc2)no1 5614313 XEIOFZQOYFCZBS-UHFFFAOYSA-N 478.961 5.751 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NCc1nnc(SCc2ccccc2Cl)n1-c1ccccc1 6280834 NIJCSXHQJQHDEE-UHFFFAOYSA-N 465.966 6.042 5 40 JKBB CCc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nc(-c3ccc(F)cc3)nc12 6860528 CNZQOQBTMGHIPI-UHFFFAOYSA-N 492.532 5.646 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC[C@@H](C)C3 8974207 JXEQEMMVMRJPBK-CQSZACIVSA-N 450.516 5.728 5 40 JKBB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 10060353 MTWYGKOOGMYVIO-GOTSBHOMSA-N 489.919 5.230 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(F)cc1 16214657 CKYBCDKHZZISIF-UHFFFAOYSA-N 459.905 5.177 5 40 JKBB COc1ccc(/C=C\c2cc(/C=C/c3ccc(OC)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 16926299 LXHQHTVWJSTJGP-VTBWALSUSA-N 492.484 5.878 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 223880925 VQCYRGUTTFWNHL-XZOQPEGZSA-N 458.499 5.133 5 40 JKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408544946 WGNKHWNQAOMRCS-YVMONPNESA-N 479.714 6.065 5 40 JKBB Cc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409177658 HLPINTIBVSKMQP-UHFFFAOYSA-N 485.279 5.368 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Br)cc1 409193886 GYJMBEPFUJRTGY-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409353561 NJCJCABQZPQGOC-BUVRLJJBSA-N 468.534 5.677 5 40 JKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(O)=Nc2ccccc21 2362999 UNPMOTMVOIBGCM-JOCHJYFZSA-N 450.458 5.330 5 40 JKBB CCOc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3C)s2)cc1 3069799 UQIJSNFCIGCPTG-UHFFFAOYSA-N 474.542 6.421 5 40 JKBB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 11617160 OIVVHFGLWDNVNW-UHFFFAOYSA-N 462.443 5.671 5 40 JKBB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@@H](Sc2ccc([N+](=O)[O-])cc2)CS1 16779174 UOQVQXFGBAILGX-ICSRJNTNSA-N 481.624 5.839 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Br 19894543 DPEWOIXBUXBDTK-UHFFFAOYSA-N 480.343 6.400 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 106733645 RJXDKSHECAOIOR-CHHVJCJISA-N 471.691 5.386 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C 214449323 DXAMWVJREUOPBT-CIAFOILYSA-N 477.498 5.147 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1 408549104 XAOOYHUWNJTLRI-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F 408571378 ONYLQQZHDSOLQA-LJQANCHMSA-N 454.885 5.957 5 40 JKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409097243 NGPVYHDJJINGFS-BKUYFWCQSA-N 482.970 6.636 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 409181064 VJCURPPFULZHOV-UHFFFAOYSA-N 476.488 6.959 5 40 JKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2420859 KZADZUCZMADFGA-GOSISDBHSA-N 486.579 6.382 5 40 JKBB Cc1cccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3ccccc3c2=O)c1C 3446630 BLSQJYHXYXWZTR-UHFFFAOYSA-N 475.526 5.070 5 40 JKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 8832084 WDPBYALMHUMOCJ-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB COc1cccc([C@@H]2c3c(oc4ccc5ccccc5c4c3=O)C(=O)N2c2cc(C)on2)c1OC 9487123 CLDDLZOSJRQMGV-HSZRJFAPSA-N 468.465 5.010 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1C 9645261 CSWVCFMGWXSMFM-UHFFFAOYSA-N 494.964 5.239 5 40 JKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 27521721 DGZAMTJWFLRIBW-UHFFFAOYSA-N 460.229 5.293 5 40 JKBB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409116559 JKTKOGVWHASTQZ-UHFFFAOYSA-N 461.345 6.800 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 409184665 YYSBFDCMYIPXOS-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)ccc1[N+](=O)[O-] 826457 LIPDJZALGMYMGL-UHFFFAOYSA-N 452.264 5.726 5 40 JKBB Cc1sc2nc(C3CCCCC3)nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c2c1C 1357325 UMHCSAIMZZQMEJ-UHFFFAOYSA-N 479.606 5.226 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2304153 FTLOGRJIEURNGC-UHFFFAOYSA-N 453.546 5.360 5 40 JKBB O=[N+]([O-])C1=Cc2cc(Br)cc(Br)c2O[C@H]1c1c(Cl)cccc1Cl 2892999 AXDNXPQTJHAYKD-OAHLLOKOSA-N 479.939 6.270 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 8885833 USXQLNOIQKVAAQ-FOIQADDNSA-N 466.567 5.039 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(C)cc4[N+](=O)[O-])o2)N3)C1 8920408 OCDFSYPDVNOFSP-WNSKOXEYSA-N 479.602 7.195 5 40 JKBB COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 9059267 CTLGHTIJBVJNGH-UHFFFAOYSA-N 497.573 5.159 5 40 JKBB COc1cc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C)cc1[N+](=O)[O-] 12542232 OVPQQMHPYMEZHA-UHFFFAOYSA-N 488.418 5.393 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nc2ccccc2s1)c1ccccc1 13063020 RVEQHRFPNQRHKG-LJQANCHMSA-N 455.948 6.330 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Br)=C/c2ccccc2)cc1/C=C\c1ccccc1 13406699 LYIOJFAVXFWPTG-WKLWQRMESA-N 451.276 6.566 5 40 JKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2cccc(Cl)c2)o1 14275242 CRDVFLZGXULOIK-UHFFFAOYSA-N 480.727 5.398 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 18208056 SRLUQNQQGCXAOS-DSNGMDLFSA-N 499.910 5.453 5 40 JKBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 100187201 WJBNWJGIKUVPFI-VCKVZLKQSA-N 478.504 5.027 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3c2)c([N+](=O)[O-])c1 102106938 ZLIHGNWBFSBEKJ-UHFFFAOYSA-N 492.356 6.057 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123228998 JQQAXXNZGKFEGG-FDXOKOSPSA-N 468.122 7.085 5 40 JKBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 224581107 ARGKCSMDZUYZMR-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029759 HRQBTARWVOJQOQ-GOTSBHOMSA-N 464.547 5.174 5 40 JKBB O=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2sc3nc4ccccc4nc3c2c1 409333973 GKISRFKPIAHHMS-UHFFFAOYSA-N 455.543 5.478 5 40 JKBB Cc1cccc2c1ccc1c3occ(C)c3c3nc(-c4cc5ccccc5nc4N(C)C)[nH]c3c21 1547205997 WFYINKIFSOXNLW-UHFFFAOYSA-N 456.549 7.514 5 40 JKBB biogenic Cc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1 2241313 PEGKYYIHELDFLA-UHFFFAOYSA-N 466.950 6.009 5 40 JKBB COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)c(C)nc32)c1 2315585 CVZWKRVXINVOOH-KRWDZBQOSA-N 461.525 5.210 5 40 JKBB COc1ccc(Cn2c(-c3cccs3)nc3oc4ccc(Br)cc4c(=O)c3c2=O)cc1 2339499 SHXPORYWOXQFNJ-UHFFFAOYSA-N 495.354 5.051 5 40 JKBB O=C(Nc1ccc2ccccc2c1)c1ccc(Oc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 3349401 TVQVACDWDFICSH-UHFFFAOYSA-N 460.489 7.460 5 40 JKBB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 8414143 MSSNTQSYUNPUPX-UQQQWYQISA-N 499.548 6.057 5 40 JKBB CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 8824380 URLVEXMPVRFJFE-UHFFFAOYSA-N 486.377 5.107 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c3cccc(C)c3n2)cc1 9583538 QIVJJGFOHVTUEO-UHFFFAOYSA-N 454.482 5.775 5 40 JKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1oc2ccccc2c1C 12602592 YXGLEINXTLYBTD-UHFFFAOYSA-N 450.472 5.807 5 40 JKBB CC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12CCCCC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12C 68568390 NHBVYEHJQNLUQX-UHFFFAOYSA-N 490.690 9.389 5 40 JKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223782489 KYLAKQQKRBOBST-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1c[nH]c2ccccc12 408568090 HPSSHQMNVZGLAT-FQEVSTJZSA-N 496.317 5.826 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408569359 VVVAEURPYQOLKK-MQVPCNEGSA-N 498.366 5.094 5 40 JKBB COc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408755874 GEIRFBCMXGDDCF-UHFFFAOYSA-N 473.872 5.954 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 409200186 GXLDUNABAABONS-YBFXNURJSA-N 456.863 5.758 5 40 JKBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 409370596 AVXQTNGBEXMBDT-ZRDDSIGQSA-N 498.844 5.144 5 40 JKBB Cc1oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccc(Br)cc1 2403147 ALMDLVMQLKXYMK-UHFFFAOYSA-N 480.270 5.658 5 40 JKBB biogenic Clc1cccc(-n2c(-c3ccc(Br)cc3)cn3c4ccc5ccccc5c4nc23)c1 2605549 CKLYRODQNZJEOH-UHFFFAOYSA-N 472.773 7.514 5 40 JKBB COc1ccc(NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)NC(=O)c2ccc(C)cc2)cc1 8400337 DNEBLIKNAFTEHM-COEJQBHMSA-N 486.571 6.720 5 40 JKBB COc1ccc(Cl)cc1C(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9414242 DZVILDJDELFMAK-UHFFFAOYSA-N 465.849 5.508 5 40 JKBB O=c1c2c3c(sc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccco1)CCCC3 9459191 CISXZASOVNXAJR-UHFFFAOYSA-N 453.545 5.179 5 40 JKBB CC1(C)C[C@@](C)(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Br)cc1 13512785 IRGYHNOZDUERRG-VWLOTQADSA-N 479.374 6.492 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)[C@H]1CCC 16976778 KWNCGDRNOUNLFZ-KCWPFWIISA-N 492.576 5.653 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 36316833 DCAZCKMMEAPQGQ-HQQJGFCBSA-N 499.592 5.030 5 40 JKBB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cccs1 59294265 ZVCLYEUXYMVKKK-JLHYYAGUSA-N 489.509 5.829 5 40 JKBB CC1(C)[C@]2(c3ccccc3)[C@H]3C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)[C@@H]3[C@@]12c1ccccc1 104280628 TTYZBJSFCZZGFK-FWSZKYTGSA-N 484.508 5.594 5 40 JKBB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225507347 ONIHOLOVMMJRCJ-NRFANRHFSA-N 465.594 5.689 5 40 JKBB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 226781889 PHOUZSILEKFOBF-HSZRJFAPSA-N 486.915 5.454 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 408561960 MAXVUIGZPNLPKO-IZHYLOQSSA-N 453.564 5.464 5 40 JKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408993561 WFSWKCYNDPFYNG-WPFQWDPVSA-N 470.525 6.169 5 40 JKBB O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409081597 QIMZWATYRMOKFX-UHFFFAOYSA-N 479.923 7.383 5 40 JKBB COc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409098637 IXXOCIDSPWGXSS-UHFFFAOYSA-N 486.475 5.945 5 40 JKBB Cc1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1Oc1ccccc1Br 2417163 TZGUQKINWAUHAR-UHFFFAOYSA-N 482.286 6.143 5 40 JKBB biogenic CCc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 8832079 RNEBAINHFPATEW-UHFFFAOYSA-N 472.501 5.054 5 40 JKBB COc1ccc([C@H]2CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1OC 9414539 HSBFANWECRKQDF-HSZRJFAPSA-N 450.516 5.382 5 40 JKBB Cc1c(OC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)ccc2c1oc(=O)c1ccccc12 11865707 RBUGMJHRBVVZPN-QFIPXVFZSA-N 473.525 5.296 5 40 JKBB CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509734 WITVOWWVEIIZIC-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(C(=S)N3CCOCC3)c2-c2ccccc2)cc1 59427700 DERZDAGGDSXNLH-UHFFFAOYSA-N 469.566 5.727 5 40 JKBB O=[N+]([O-])c1ccc2c(CSc3nnc(Cc4cccc5ccccc45)n3-c3ccccc3)c[nH]c2c1 59474754 UXHMDQWTQCAOMR-UHFFFAOYSA-N 491.576 6.693 5 40 JKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102788367 ZNDHOGAOENUSEB-MHZLTWQESA-N 485.540 7.057 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223918240 IBDVVYJPLGBIKJ-RPBOFIJWSA-N 485.569 5.493 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408603015 AGGNWYXVMLVQRC-UHFFFAOYSA-N 463.368 5.935 5 40 JKBB COc1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408974977 HBQQFIKTXXWPOJ-UHFFFAOYSA-N 462.538 5.697 5 40 JKBB Cc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1 409015509 BJONEXAEDLHEBO-UHFFFAOYSA-N 459.505 7.038 5 40 JKBB CCC(=O)Nc1cc(OC)c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl 409181956 HCHBFFYVBKBOIT-XMMPIXPASA-N 496.903 5.386 5 40 JKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 409358935 LQVITSYNGOXNRU-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=C(NCc1cccc(C(F)(F)F)c1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 3015970 JQDMXPIOBZTGFR-UHFFFAOYSA-N 466.337 5.309 5 40 JKBB O=c1n(Cc2ccccc2)c2cc(Nc3ccccc3)c([N+](=O)[O-])cc2n1Cc1ccccc1 6446412 XJIDLBUACWZSRA-UHFFFAOYSA-N 450.498 5.551 5 40 JKBB O=C(OCc1cccc(Cl)c1)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 13016418 ZWWGCPKKYCYJCH-UHFFFAOYSA-N 486.867 5.559 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccccc3)ccc3ccccc23)c(Cl)c1 16480630 SRUFOPRDIXRUGH-UHFFFAOYSA-N 461.949 6.182 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 16610661 SKUKAWHPQUKDFE-RCLKMUNOSA-N 475.932 7.222 5 40 JKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl 19894514 YCYIVEXFGPWQCA-UHFFFAOYSA-N 470.337 6.944 5 40 JKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 21580574 UOZXSAUGLTVCBW-UHFFFAOYSA-N 471.517 5.389 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1C 408571029 MWUUHIQZJPPCFN-RUZDIDTESA-N 474.586 5.882 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703111 DRCJEMOOQSUFLV-XMMPIXPASA-N 481.961 5.583 5 40 JKBB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-] 408721948 BPUDUILBFNVWAH-UHFFFAOYSA-N 476.470 5.554 5 40 JKBB O=C(O)c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1Cc3ccccc3[C@H]21 409001655 PZUPIPOIQYRUCH-UPRLRBBYSA-N 492.531 6.343 5 40 JKBB O=C(O)c1ccccc1[C@@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 409116812 LUNDISUHPYFCNW-MHZLTWQESA-N 493.519 5.654 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 409212792 QZJPVDQSTYYKPQ-NVNXTCNLSA-N 498.152 5.356 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(F)c1 2301607 KFRZZNNVJKSGKS-UHFFFAOYSA-N 463.516 5.228 5 40 JKBB Cc1ccccc1-n1c(SCc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 3320667 LJVCQJOLVWAGQE-UHFFFAOYSA-N 463.584 5.835 5 40 JKBB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1-c1ccccc1 3452406 KCNWREOMAVSYBH-OAHLLOKOSA-N 493.520 5.110 5 40 JKBB CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 9380240 CKCYBZKZFCMJHZ-AUSOSSAASA-N 486.333 6.041 5 40 JKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cnc(Cl)c(Cl)c1 12623255 HOCWRXVPTPHRLC-QGZVFWFLSA-N 480.691 5.487 5 40 JKBB COc1ccccc1NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@@H](C)C2 13382082 RNKPBNHYRZASQB-CYBMUJFWSA-N 499.976 5.948 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 14277948 NMVVYBXGGKOHIE-QGZVFWFLSA-N 481.508 7.429 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccccc3F)ccc3ccccc23)c(Cl)c1 16525922 PJTJQJNGZRRQDX-UHFFFAOYSA-N 479.939 6.321 5 40 JKBB CC1CCN(c2ccc(C(=O)NCc3ccc(-c4nc5ccccc5s4)cc3)cc2[N+](=O)[O-])CC1 57313596 OTEDSDDXWPWWQY-UHFFFAOYSA-N 486.597 6.038 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc12 102761720 DBBQJJJRVZFRHU-GVAUOCQISA-N 499.910 5.453 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 214626546 UVBLZFXIVXZGIY-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(-c2ccccc2)cc1 224557251 FBPDNELLTCVMQM-UHFFFAOYSA-N 468.509 6.492 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408554456 CVJHFGUZEVFGGW-UHFFFAOYSA-N 481.763 7.145 5 40 JKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1 408557463 NRQOQXVNPJHASE-UHFFFAOYSA-N 453.325 7.246 5 40 JKBB O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1CC1CCCCC1 409146793 KSUSSQYVSKSPSU-ZVHZXABRSA-N 475.570 6.214 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409178779 NHPODKSONSJPJJ-UHFFFAOYSA-N 482.492 6.305 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc2ccccc12 409274562 PPICEQNSBDVMGJ-OEAKJJBVSA-N 499.504 5.683 5 40 JKBB CCCc1nc2sc3c(ncn4c(SCc5ccc6c(c5)OCO6)nnc34)c2c2c1CCCC2 1254208 GGQMDMGKCGKIIN-UHFFFAOYSA-N 489.626 5.740 5 40 JKBB O=[N+]([O-])c1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3C(F)(F)F)n2)cc1 3766619 WQPBVWFDFULELM-UHFFFAOYSA-N 495.280 6.352 5 40 JKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 8899858 SBKQRFXKWGHICU-CSKARUKUSA-N 486.336 6.937 5 40 JKBB CCCCC(=O)Oc1cn(CCc2ccc(OC)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9124086 CBCAUCVJLPLGRO-UHFFFAOYSA-N 498.627 6.527 5 40 JKBB Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)c2c(-c3cccs3)csc2n1 9391105 BKLDLTFPWBFQSF-UHFFFAOYSA-N 457.558 5.795 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])nnc2-c2cccnc2)c(C)c1 9713701 NYDMMUUVDSPTAL-UHFFFAOYSA-N 494.964 5.239 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 72230004 WZGSSNHIBAHZRR-HSZRJFAPSA-N 451.910 5.182 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 96298272 JRARFLXUKCVKRZ-VJGNERBWSA-N 491.503 5.313 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 224287216 QGKVLXLVJCSINW-LOSJGSFVSA-N 470.554 6.044 5 40 JKBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 224588961 IRWYYUFEHGJYJV-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-] 408721982 BXIACYGKLJUCIU-UHFFFAOYSA-N 490.497 5.863 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408836378 QRYSQHYTHYNBTC-UHFFFAOYSA-N 474.498 6.163 5 40 JKBB O=C(Nc1ccc(I)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408925905 RTWLXCPQNOADOQ-XSFVSMFZSA-N 470.266 5.379 5 40 JKBB O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 409336812 WHSHVFCNHLKXET-UHFFFAOYSA-N 484.471 5.284 5 40 JKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(O)c([N+](=O)[O-])c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369042 YTUBUYGCRDUUBK-UHFFFAOYSA-N 497.511 5.289 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC(F)(F)F)cc1 2421606 ACEKFZFNWZNCEL-UHFFFAOYSA-N 495.505 6.071 5 40 JKBB CCC(=O)Oc1cn(-c2ccc(Br)cc2)c2nc(CC)n3c4ccccc4nc3c12 8871229 YZEACIRVHBTOMF-UHFFFAOYSA-N 463.335 5.467 5 40 JKBB O=C(CSc1nc2ccccc2nc1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 12138984 ZBFYINBYOUURQC-UHFFFAOYSA-N 450.907 5.589 5 40 JKBB CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])CC1 12311754 ZBTOXHYMMPVMSD-CQSZACIVSA-N 480.348 5.322 5 40 JKBB CCN(CC)c1cccc(O[P@@](=Nc2ccccc2[N+](=O)[O-])(c2ccc(C)o2)C(C)(C)C)c1 12491899 BBAQMEQDCBNJBZ-XIFFEERXSA-N 469.522 7.293 5 40 JKBB COc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)cc1 13644022 YWAAJFCOPFOORL-UHFFFAOYSA-N 493.495 5.981 5 40 JKBB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)n(C)n3)n2)cc1 35683165 ZBVVCZDDEUZRLW-UHFFFAOYSA-N 463.519 5.078 5 40 JKBB CCc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)o1 36636098 BXTAQYXRAXXOCR-SIKLNZKXSA-N 468.307 5.755 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96332240 JQQAXXNZGKFEGG-RUXQDQFYSA-N 468.122 7.085 5 40 JKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OCc1ccccc1[N+](=O)[O-] 106698413 MQDRWSNCOIZKSU-QRVIBDJDSA-N 494.500 5.558 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1 205658216 ROOBULUJKACOBR-RGVLZGJSSA-N 481.442 5.008 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214369497 PYWAWQYIWWAADG-YDZHTSKRSA-N 494.500 5.558 5 40 JKBB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c(OC)c1 224937792 GWOHSBQRIAXUCZ-UHFFFAOYSA-N 459.458 5.495 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1 225061345 MCCZUVRWLPIYTE-FTJBHMTQSA-N 499.596 5.725 5 40 JKBB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408749136 DRZUJCGENJFHHZ-SJORKVTESA-N 471.560 5.326 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2=O 409179786 SKDKVGYJTZRDIA-HHHXNRCGSA-N 463.445 5.587 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C 409227456 YVDDQJUYPWDOIS-WSDLNYQXSA-N 462.483 5.391 5 40 JKBB Cc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2-c2ccccc2)c1 409356836 HQUFIJXNTWWAMR-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc4cc(C)cc(C)c4cc23)cc1 1327818 PRVVXQCHRNYMEJ-UHFFFAOYSA-N 472.595 5.943 5 40 JKBB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2267521 CQEJMRYDVFDMDG-KPKJPENVSA-N 484.624 6.808 5 40 JKBB CCOC(=O)c1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1 2751352 DGGJHRRQIDNHAS-UHFFFAOYSA-N 477.472 6.434 5 40 JKBB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 3073603 OHHKUTLFPOPKDO-UHFFFAOYSA-N 460.273 5.415 5 40 JKBB CN(CCCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12)Cc1ccccc1 9009914 OHUFTQZUEASCDC-UHFFFAOYSA-N 489.575 5.875 5 40 JKBB Cc1cccc2oc3cc(NCCN4CCC(C)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9010112 VMCOOQSXSFOZNB-UHFFFAOYSA-N 467.569 5.393 5 40 JKBB COc1ccc([C@@H]2Oc3ccc([N+](=O)[O-])cc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1OC 13552308 QICAGNBWMHRRCN-YKSBVNFPSA-N 465.893 5.508 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 16195552 LZKKETMGHYRLPI-UHFFFAOYSA-N 459.905 5.177 5 40 JKBB Cc1ccsc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn21 102674892 BFQAIKYJKKHEJU-SFHVURJKSA-N 453.549 5.520 5 40 JKBB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 106739398 GUBOIMZGBHOMHW-STZFKDTASA-N 456.520 5.409 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](Cl)([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C 118933450 VPFGMEFQGQTRJH-RJVRFGKZSA-N 452.123 8.320 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 224623694 ZSVZKWBFZZDXDG-PKTZIBPZSA-N 458.499 5.133 5 40 JKBB Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 2284882 SVCQTFLSESESAC-UHFFFAOYSA-N 454.482 5.775 5 40 JKBB COc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3333190 VZIDGPFQLMLXFS-IBGZPJMESA-N 452.894 5.857 5 40 JKBB COc1ccc([C@H]2Oc3ccc(Cl)cc3N2S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4277561 LSKXQBUBBHDQRZ-HXUWFJFHSA-N 481.313 5.197 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)cc2[N+](=O)[O-])CC1 12583940 SOFBCLBDYOSKEJ-UHFFFAOYSA-N 477.175 6.697 5 40 JKBB COc1ccccc1-n1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 13063150 GJCMWGZOQLHHBR-OAHLLOKOSA-N 496.976 5.565 5 40 JKBB O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33737391 DJCJFPWVELNGEU-UHFFFAOYSA-N 493.928 6.427 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cc(OC)c1O 79194018 DDKMOQFTYOPWCH-UHFFFAOYSA-N 475.501 5.225 5 40 JKBB biogenic CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)cc1 226069301 KANDBEBFPLQTOH-LJAQVGFWSA-N 496.756 6.748 5 40 JKBB COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 408573690 UDDATKIBTZPWNG-IBGZPJMESA-N 477.384 5.074 5 40 JKBB CCCN1C(=O)c2cccc3c(-c4ccc(Br)c(C)c4)c([N+](=O)[O-])cc(c23)C1=O 408757316 LZBOVJZSAGSCCN-UHFFFAOYSA-N 453.292 5.492 5 40 JKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Cl)c1OCc1ccc(Cl)cc1 409328833 BIPIXDWYAXQFMI-YVMONPNESA-N 478.288 5.251 5 40 JKBB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409350902 UXUQQHWTAHJLNE-YDZHTSKRSA-N 476.510 5.454 5 40 JKBB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[N@@]12 2049251946 UZEAWJJXHFUBFP-VOCILKEUSA-N 469.932 5.669 5 40 JKBB Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 2662236 CMLPZIBFOVRCHC-HNNXBMFYSA-N 494.964 5.319 5 40 JKBB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 3170579 KPCVRYXPCAIGRR-WAIKUNEKSA-N 463.921 5.781 5 40 JKBB Cc1cccc2oc3cc(NCCCN4CCCC[C@H]4C)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9087993 WRELKXXBDMWAER-LJQANCHMSA-N 481.596 5.926 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232810 NRHBPJBZYFRPCH-LPYMAVHISA-N 480.929 6.064 5 40 JKBB CCCC(=O)Oc1cn(-c2cc(Cl)cc(Cl)c2)c2nc(CCC)n3c4ccccc4nc3c12 9243287 HNZUUYXPADCPJD-UHFFFAOYSA-N 481.383 6.791 5 40 JKBB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060374 OOEIMQMERFZRNK-PKTZIBPZSA-N 489.919 5.230 5 40 JKBB COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 14278998 FJLUDYPHGHNBKJ-YRNVUSSQSA-N 476.872 5.682 5 40 JKBB Cc1cc(=O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(O)o1 137760868 UYBWKWDHNCKTGM-LJQANCHMSA-N 476.432 5.939 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214362121 KIHUPSXPYOAMBP-RGVLZGJSSA-N 481.461 5.166 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F 224916844 IUJUNNAEZSIYKP-DNQXCXABSA-N 474.517 5.874 5 40 JKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2Cl)cc1 408677878 CDQDGJWBEUJSEP-QFIPXVFZSA-N 478.353 5.998 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1 409213152 OUAUFABEBFWAEK-CIAFOILYSA-N 477.498 5.147 5 40 JKBB C[C@H]1CCCC[C@H]1n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1cccnc1 2618153 OFJUSEIUPROROF-MGPUTAFESA-N 467.551 5.158 5 40 JKBB O=c1[nH]c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c46)c(=O)n1c2ccccc2nc51 4016076 INSSLQUYDBBRFG-UHFFFAOYSA-N 463.452 5.129 5 40 JKBB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1-c1nc2ccccc2s1 9972124 SVNUWCJJFBMXFE-JQIJEIRASA-N 481.533 7.092 5 40 JKBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14273180 UHNHCTDDCMIFTL-UHFFFAOYSA-N 455.470 5.221 5 40 JKBB Cc1ccc(C)c(-c2nnc(O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc23)c1 14357179 NRUHJLKMCJVCHT-INIZCTEOSA-N 476.920 5.881 5 40 JKBB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 20847228 GLQGNSNFGHOTIN-UHFFFAOYSA-N 454.291 5.147 5 40 JKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)oc2cc1C 21578671 KSODZNRDDHLRSG-UHFFFAOYSA-N 491.956 7.449 5 40 JKBB CC1=C(C(=O)OC(C)(C)C)C(c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C(=O)OC(C)(C)C)=C(C)N1 26964853 DKOZWAPWDSYKJI-UHFFFAOYSA-N 496.560 5.773 5 40 JKBB O=C1N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 39556238 WSDCHXNEHGXAKC-WSDLNYQXSA-N 472.888 5.349 5 40 JKBB O=[N+]([O-])c1ccc(N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 51330313 VDZWVYFOJVXKQV-MXVWBRBISA-N 478.379 7.703 5 40 JKBB COc1ccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)c(OC)c1OC 79485808 BVWZXWIUGJVLQA-UHFFFAOYSA-N 489.528 5.858 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223918545 JKNXNTMNWYRXGA-JWQCQUIFSA-N 485.569 5.493 5 40 JKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225131444 CIUWKJJCXIWBKX-JOCHJYFZSA-N 471.985 5.047 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl 408573341 BRKRQNJHEDNATJ-UHFFFAOYSA-N 499.854 5.320 5 40 JKBB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408604117 DLAGUBYFWFUSFI-UHFFFAOYSA-N 487.261 7.333 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 409113352 AKGTVDNXEGJVTL-HHHXNRCGSA-N 494.507 5.864 5 40 JKBB Cc1ccc(OCc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409173039 KVTLMLGKXZRZNX-UHFFFAOYSA-N 469.493 6.632 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409356703 HDKOKZHTSALUHH-YDZHTSKRSA-N 492.484 5.232 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 409358856 LROFDTHNKIEAKF-OEAKJJBVSA-N 474.494 5.093 5 40 JKBB COc1c2c(cc3c1[C@@H](CC(=O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 1815971 LGRJPKHZNMLPAF-NTKDMRAZSA-N 492.680 6.274 5 40 JKBB biogenic C[C@H](Sc1nnc(C2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177162 XRZAOABUIRWUJX-INIZCTEOSA-N 451.552 5.343 5 40 JKBB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8831360 YIUAOACYWBYAER-UHFFFAOYSA-N 469.828 5.654 5 40 JKBB O=[N+]([O-])c1cccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 8836997 NIDDOFJRFLLDEL-UNMCSNQZSA-N 474.731 6.797 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCC 16688368 IKUKJGHVBIURQE-UHFFFAOYSA-N 472.767 5.010 5 40 JKBB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32115123 RXNMSBYPPCPAQI-UHFFFAOYSA-N 495.825 6.847 5 40 JKBB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc([N+](=O)[O-])c4)C3=C(O)C2)cc1OC 101124408 GAQHEKKVQACGCE-CLYVBNDRSA-N 471.513 6.241 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224315673 RIZJRJGEFBRCBE-RPBOFIJWSA-N 470.554 6.044 5 40 JKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225616217 LNTHZLGCWRNOAK-VGSWGCGISA-N 492.041 5.204 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408564126 YAQYTAKCNRFGOW-FLFQWRMESA-N 480.373 5.764 5 40 JKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 408570917 MHTOKVVCFAWQMR-VWLOTQADSA-N 490.585 5.664 5 40 JKBB CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408622424 QAROFHNLTFWJAA-UHFFFAOYSA-N 485.334 5.896 5 40 JKBB O=C(O)/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634831 VGQJUDQAXGCWFJ-PDGQHHTCSA-N 468.878 5.307 5 40 JKBB Cc1cc(C)c(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c(C)c1 408750774 RNBMKFXUTIXNPT-UHFFFAOYSA-N 489.578 6.223 5 40 JKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O 409015654 SVLICWPPKVAXKS-AINDZBIGSA-N 473.463 5.139 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1 2256329 NRHOZDQOEZXCPB-UHFFFAOYSA-N 493.998 6.328 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 6297404 QXFFGSPVMGFQTG-UHFFFAOYSA-N 464.528 5.007 5 40 JKBB CC(=O)c1ccc(NC(=O)c2ccc(Oc3cc(Sc4ccc(C)cc4)cc([N+](=O)[O-])c3)cc2)cc1 8384697 WRSXXOJZIULILT-UHFFFAOYSA-N 498.560 7.302 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3cccc(Cl)c3n2)cc1 8722018 NXOUKLMCBGVEAE-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 8900363 SITHURRFMJFKJC-VZUCSPMQSA-N 475.936 6.066 5 40 JKBB COc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 9317694 ACOZHNDUSIUGKE-VQHVLOKHSA-N 460.515 5.163 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)nc12 10010623 LUKAOGOJWVEWMO-QPJJXVBHSA-N 490.324 6.432 5 40 JKBB CC(=O)N(c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1)c1cccc(C)c1C 13001862 JMTCCSAYYJNMDP-JXMROGBWSA-N 450.545 6.133 5 40 JKBB O=[N+]([O-])c1cccc(-c2nnc(CSc3nnc(COc4ccccc4Cl)n3C3CC3)o2)c1 13130488 IBFOPUPITYVYAA-UHFFFAOYSA-N 484.925 5.096 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 14152900 RBCVFIHOWGVXOR-UHFFFAOYSA-N 478.452 5.118 5 40 JKBB O=C1NC(=S)N/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 100477707 VCPSRTCCPWFBLI-JCMHNJIXSA-N 466.522 5.065 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc(F)cc1 210810375 COGCBMSHXMKFRA-OEAKJJBVSA-N 456.498 5.807 5 40 JKBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224552605 KDOHOVVJRCRNMM-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408564099 XROPYCOGMJITLJ-LVWGJNHUSA-N 494.400 6.154 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1ccccc1F)c1c[nH]c2ccccc12 408571336 OJYJYJWQMRKAAF-HXUWFJFHSA-N 469.310 6.057 5 40 JKBB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 408640302 IRLNBGBCSHWKGM-FQEVSTJZSA-N 487.556 6.119 5 40 JKBB Cc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409116245 JTSYMAYUQKGTST-NDEPHWFRSA-N 463.537 6.265 5 40 JKBB Cc1c(Br)cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 409176764 XAZFDSGJKJLNFD-NRFANRHFSA-N 499.273 5.355 5 40 JKBB CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C(C)(C)C)C2 2081937 LNQPKZNTJDGZCR-OIQJVACTSA-N 456.564 5.636 5 40 JKBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccc(Cl)cc3Cl)nc21 2328485 KEJMGGVPSPMGDT-UHFFFAOYSA-N 462.336 5.271 5 40 JKBB COc1ccc(CN2C(=O)/C(=C\c3ccc(C(C)C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 3503825 PLFWOUKYDYSBTO-OYKKKHCWSA-N 456.498 5.450 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 8832457 CGHUDNUOGKCDQB-CQSZACIVSA-N 467.547 5.419 5 40 JKBB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 12442167 LCKYWYUHGODEQA-UHFFFAOYSA-N 463.519 5.172 5 40 JKBB O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 12566646 LNHZIEBGCIYNSR-IBGZPJMESA-N 479.703 6.092 5 40 JKBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1c(Cl)cccc1Cl 13062401 XYTUECNKCKTYQN-QGZVFWFLSA-N 459.713 5.053 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 16611228 IUQQIRYGQCWLMY-OAHLLOKOSA-N 488.569 6.352 5 40 JKBB CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 408571405 OQEVHBHUUJTOCK-HXUWFJFHSA-N 491.411 5.464 5 40 JKBB CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21 408574701 CAKPNWUCULTUQS-XIEYBQDHSA-N 461.521 6.902 5 40 JKBB CC(C)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408618898 HYGXMLICIWJHKQ-UHFFFAOYSA-N 463.715 6.646 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2c1 408729191 AIJZRGFOUCLSCK-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c1 408997130 RLLIJBRTAVLTFI-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409335223 KIZGSROLRCTXHO-UHFFFAOYSA-N 490.548 5.095 5 40 JKBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1Br 907411 AYPRTSQEWAAAGI-UHFFFAOYSA-N 496.774 5.020 5 40 JKBB Cc1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)c(C)c1 2720967 NDGPPACQSXPOOE-UHFFFAOYSA-N 499.552 5.123 5 40 JKBB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9413821 KOPYNQDDMLOZRP-UHFFFAOYSA-N 465.849 5.508 5 40 JKBB CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 11865705 XGODXISHDOOVEW-QFIPXVFZSA-N 491.565 5.208 5 40 JKBB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 14271346 VHTLXTDZECPURI-UHFFFAOYSA-N 464.547 5.218 5 40 JKBB CCOc1ccc(-n2nc3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 57313190 NNACKEVLNAQFBJ-UHFFFAOYSA-N 493.932 5.848 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2ccc(Cl)cc2)cs1 57315818 BNRNHIASVGEMPD-ZRDIBKRKSA-N 451.891 6.284 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 225053314 DXPUGKIXGVHQNC-IZZNHLLZSA-N 498.612 5.255 5 40 JKBB CN(C)c1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 229817199 WGCKGYUFBBLHEK-KEVKATSASA-N 473.960 5.302 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408566558 FPNAKMFMOBKKLA-RHLLLVCUSA-N 498.366 5.141 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(Cl)cc1 408572656 RQRTYOFEKJHSSC-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@H]12 408994304 ZEJZXIFCVYCIFO-PMOQBDJRSA-N 451.320 5.837 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409133860 UPMYRQJPYCKWEK-PXLXIMEGSA-N 464.499 5.533 5 40 JKBB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409174291 RAEZQJCTHXTNQO-UHFFFAOYSA-N 470.865 5.365 5 40 JKBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1 781467 GAQCHZXCADZWPL-UHFFFAOYSA-N 489.557 5.102 5 40 JKBB Cc1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1-c1nc2cc(Cl)ccc2o1 2319873 NZCMSQUXAUDGDE-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(Oc3ccccc3[N+](=O)[O-])c2c1C 2726491 XVILKJZXQJYPPX-UHFFFAOYSA-N 481.555 6.169 5 40 JKBB COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 9289057 RSPBVFAWBFJCEW-FCHUYYIVSA-N 489.919 5.230 5 40 JKBB CCCCC(=O)Oc1cn(C[C@H](CC)CCCC)c2nc(CCCC)n3c4ccccc4nc3c12 9293135 BJCOUHWAKRIOAA-OAQYLSRUSA-N 476.665 7.492 5 40 JKBB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9579857 WTKGBIXVNPZYSS-UHFFFAOYSA-N 458.801 5.277 5 40 JKBB CCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1Cl 12651639 PFSHQNLPAUTVRQ-UHFFFAOYSA-N 458.946 5.475 5 40 JKBB COc1cc(/C=C2\N[C@@H](c3ccccc3)N(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2=O)ccc1O 100297909 UJEPZFMTORBPDR-JVGWPHRLSA-N 486.311 5.292 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 408557544 OMVODXRKPAPZLE-UHFFFAOYSA-N 457.324 5.947 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)cc1 408572008 QJHHGPAXBCFIKI-XMMPIXPASA-N 495.004 6.227 5 40 JKBB CCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCC)c3cc12 408720295 KXQYANOFQMZKLU-UHFFFAOYSA-N 476.532 6.470 5 40 JKBB Cc1ccccc1NCc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409184879 YPLSMRGUIWRBQZ-MUUNZHRXSA-N 480.520 6.296 5 40 JKBB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 868986 GFXYHLJFVUDHLF-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)C(O)=Nc2ccccc21 8687424 SZWAKOQULGKTKX-JOCHJYFZSA-N 450.458 5.330 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4ccc(F)cc4F)cc3c3ccnc2c31 8792303 MEFYVJCZADGZPK-UHFFFAOYSA-N 472.447 5.466 5 40 JKBB biogenic CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(=O)n(Cc5ccc([N+](=O)[O-])cc5)cnc4c23)CO1 9423097 OPKWHTDDNOKSQV-UHFFFAOYSA-N 488.525 5.074 5 40 JKBB O=C(O)c1c(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] 12560331 SLQDOJHPBKTUGO-QIMZYXORSA-N 481.508 5.730 5 40 JKBB CC(C)Cn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1F 13128118 RTDASVMPJYMRLZ-CQSZACIVSA-N 468.514 5.552 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15303436 LHRNPVNUYVSXMF-UHFFFAOYSA-N 489.425 6.398 5 40 JKBB CCOc1ccc(N=P(Cc2ccccc2)(Cc2ccccc2)Nc2nccs2)c([N+](=O)[O-])c1 15906249 JESAYWITGXBFHL-UHFFFAOYSA-N 492.541 7.710 5 40 JKBB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N=C2O)cc1[N+](=O)[O-] 16729665 CBHSFIXMRYROLJ-WQRHYEAKSA-N 452.517 5.175 5 40 JKBB Cc1c(-c2ccc(Cl)c(Cl)c2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1ccc(Cl)c(Cl)c1 22757544 JSSBKRHGVAHBCR-UHFFFAOYSA-N 497.169 6.750 5 40 JKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccccc1Br 34719961 PCAILOYGEPQUFW-UHFFFAOYSA-N 463.360 5.529 5 40 JKBB O=C(O)c1c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] 39404518 SLQDOJHPBKTUGO-UESRSHRWSA-N 481.508 5.730 5 40 JKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)c1 408555539 GITXOLNUPJHAMZ-UHFFFAOYSA-N 463.331 6.702 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(F)cc1 408564983 AWJVEMSRKYAYPM-HSZRJFAPSA-N 464.522 5.404 5 40 JKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408750344 LQXJJBRSDFPBTN-UHFFFAOYSA-N 492.494 5.206 5 40 JKBB CN(C)c1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408975024 IQGFJVZQGHDFGV-UHFFFAOYSA-N 475.581 5.754 5 40 JKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 409176665 UOSJTKQEMDKCTN-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3c2=O)c1 1774662 GFRYWZWHERCAEQ-UHFFFAOYSA-N 465.845 5.983 5 40 JKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 2415583 JZAYZLPMAQKKLE-AWEZNQCLSA-N 476.378 5.634 5 40 JKBB COc1ccc(-c2csc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)n2)cc1 3339598 PGLHKNBFLLYXTL-UHFFFAOYSA-N 458.546 5.067 5 40 JKBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9209923 NEQWCIJYNLWUAJ-CVDCTZTESA-N 494.301 5.328 5 40 JKBB COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1 9491427 NBDYUPXATMQJAU-UHFFFAOYSA-N 452.536 5.342 5 40 JKBB COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 11026239 GZIMRVWKNIRHFQ-XMMPIXPASA-N 476.529 5.047 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 33662203 RZBHIIWYACRLTI-PXNMLYILSA-N 469.302 5.242 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 51330323 OWUKMJKXBCOKNP-PDJLYPKISA-N 454.486 6.304 5 40 JKBB Cc1ccccc1Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 102129698 WZIREDAQGHBEPC-UHFFFAOYSA-N 471.813 5.369 5 40 JKBB Cc1cccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)c1 409103627 ARIAZANJVWGDDC-UHFFFAOYSA-N 456.449 6.321 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 409200774 JICVGZMUTCVABQ-KEBDBYFISA-N 497.872 6.190 5 40 JKBB Cc1ccc(-c2nccc(-c3ccc([N+](=O)[O-])c(CS(=O)(=O)c4ccc(Cl)cc4)c3)n2)cc1 3105509 CDVMNENTMXSFQQ-UHFFFAOYSA-N 479.945 5.655 5 40 JKBB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 3769572 ADODFAMUBUQOGX-WOJGMQOQSA-N 477.336 5.383 5 40 JKBB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 9367607 CYWDHVHIARPYLM-UHFFFAOYSA-N 481.327 6.055 5 40 JKBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 12546908 KNWXHOQDXDCSDW-BQFCYCMXSA-N 463.534 5.295 5 40 JKBB Cc1ccc(P(=NC(=O)c2ccc([N+](=O)[O-])cc2)(N2CCCCCC2)N2CCCCCC2)o1 12559334 NYTGLDYXLVPWIC-UHFFFAOYSA-N 472.526 5.745 5 40 JKBB COc1ccc2nc3sc4c(SCC(=O)Nc5nc6c(s5)CCCC6)ncnc4c3cc2c1 13086150 QHDMJXXZRGTPLM-UHFFFAOYSA-N 493.639 5.467 5 40 JKBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(Cc2ccc(F)cc2Cl)c2ccc(Cl)cc2)c1 15978321 NGDXUZYZNGLHHU-UHFFFAOYSA-N 489.739 6.090 5 40 JKBB COc1cc(Br)cc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@@H]21 36352211 GHEDQIIDYIJEBV-REWPJTCUSA-N 480.318 5.608 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106726814 RYFDPBSUCQGRDM-XKZIYDEJSA-N 491.481 5.319 5 40 JKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224812480 UHKUZMOXVPOYLS-HXUWFJFHSA-N 480.392 5.024 5 40 JKBB O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 409114304 GPFYJOQMEVSLNT-UNOMPAQXSA-N 451.276 5.429 5 40 JKBB O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 711393 PNCLWJIKSZBKQQ-UHFFFAOYSA-N 477.480 5.887 5 40 JKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(I)cc1 1768293 QUWLCYZFCMWQEU-UHFFFAOYSA-N 468.294 5.913 5 40 JKBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(CC(C)C)s1)C3=O 1876599 WWYVWJQSSJBKNE-NRFANRHFSA-N 490.541 5.118 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 12531380 KEWLAWWOPXUJRE-UHFFFAOYSA-N 494.960 5.673 5 40 JKBB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)s2)cc1 13525497 ZPOOMAZSCSSUCR-CYBMUJFWSA-N 498.615 5.741 5 40 JKBB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35074842 RPVRSYYTRQJMJX-UHFFFAOYSA-N 475.464 5.994 5 40 JKBB COc1ccc(Nc2cc3c(Cl)cc(=O)c4c(Cl)cc5c(Cl)cc(=O)c2c5c34)cc1 100406426 NYMSLXSAFURSFC-UHFFFAOYSA-N 456.712 6.455 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] 214920223 JIRZOMVPNLPCQF-RGVLZGJSSA-N 499.342 6.162 5 40 JKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223829931 IFMRVRLSAFBHGG-LOSJGSFVSA-N 485.569 5.356 5 40 JKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 408976154 PSEWBMWIYRBDMA-RBSBEOHCSA-N 461.569 5.920 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409182847 OPEODPKYMNTUDW-RUZDIDTESA-N 480.904 5.443 5 40 JKBB O=C(CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 853522 XRBXAMRZIUEYNE-UHFFFAOYSA-N 450.322 5.315 5 40 JKBB aggregator CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 3433210 UOAGCKSHYBIKCS-HRNYAPDYSA-N 454.530 5.104 5 40 JKBB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)s2)cc1 13525500 ZPOOMAZSCSSUCR-ZDUSSCGKSA-N 498.615 5.741 5 40 JKBB CCc1ccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)cc1 13643637 FJCRTZBXIVYEAX-UHFFFAOYSA-N 455.543 5.905 5 40 JKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 14275823 XNLBWVSMCOQGGO-UHFFFAOYSA-N 488.573 5.196 5 40 JKBB O=C(Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1cccc(Cl)c1 22574642 IRGRNMOZECTYEK-UHFFFAOYSA-N 464.909 5.353 5 40 JKBB CC(C)(C)c1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(C(C)(C)C)c1O 106728112 DFUVIUGFACAOIW-MOSHPQCFSA-N 468.575 6.132 5 40 JKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223377050 UYWISHQMMANCGH-AJTFRIOCSA-N 487.600 5.001 5 40 JKBB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225537460 TWCBMPQQLJPSBP-UHFFFAOYSA-N 465.594 5.690 5 40 JKBB Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])c3c[nH]c4ccccc34)cc2Cl)cc1 408572427 RDSZWQBJPRPOBF-FQEVSTJZSA-N 455.341 6.771 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634983 WBXHFMWHSHHAQI-ZDLGFXPLSA-N 487.852 5.915 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409356896 HXGHKLSEEOBULN-HAHDFKILSA-N 476.510 5.813 5 40 JKBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 3247778 KMHZRDPFJLIXDX-UHFFFAOYSA-N 483.912 5.366 5 40 JKBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 8836553 VNLGKTVCIIXHRS-ROHNOIKCSA-N 460.917 5.245 5 40 JKBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)c1 9461519 BMWWTBFBINZIKS-UHFFFAOYSA-N 497.942 5.003 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(F)c(Cl)c2)cc1 9462052 OLWFKPZNQYZUJV-UHFFFAOYSA-N 483.934 5.741 5 40 JKBB Cc1ccc(Nc2nc(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cs2)cc1 11276897 CKGFZCSHDYPURB-UHFFFAOYSA-N 455.539 5.407 5 40 JKBB COC(=O)c1cc(CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)oc1C 12542488 NZXDKNQZZBBQNR-UHFFFAOYSA-N 491.447 5.933 5 40 JKBB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13095836 BTVRYRAFEHTSAF-HNNXBMFYSA-N 490.459 5.335 5 40 JKBB COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2[C@H]2CCCC[C@H]2C)cc1 16044625 KCWISLVOINIEGB-IERDGZPVSA-N 466.563 5.588 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1F 214356731 IKUPCGXLHLOZPS-VXLYETTFSA-N 458.854 5.884 5 40 JKBB Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409180161 PUOIHZXMXKGFSI-UHFFFAOYSA-N 473.506 5.622 5 40 JKBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 409372920 SISSFQLOJMWXMP-OVSCLSOGSA-N 472.500 5.139 5 40 JKBB Cc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(-n2nc3ccccc3n2)c1 827856 CGSSLSPGMUWUNP-UHFFFAOYSA-N 466.453 5.649 5 40 JKBB Cc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 868879 RRNXUXXAHBWUDN-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB Cc1cccc(N2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 2746761 COESUJHIERENIJ-FQEVSTJZSA-N 472.726 6.090 5 40 JKBB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc2S3)cc1 22564161 LHVSXOGRYHWSOR-QFIPXVFZSA-N 457.511 5.244 5 40 JKBB O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 39579374 YGRADYFXXMCYCL-UNMCSNQZSA-N 484.737 6.253 5 40 JKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101017090 FTVIVDWHGAIVHY-FQEVSTJZSA-N 490.882 5.287 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 214814983 RLFJYPLLBHKPPA-KEBDBYFISA-N 489.336 6.707 5 40 JKBB COCCCN1C(=O)c2cccc3c(-c4ccc(Br)cc4C)c([N+](=O)[O-])cc(c23)C1=O 408755298 DDUWAHMKYVJKIX-UHFFFAOYSA-N 483.318 5.118 5 40 JKBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](C)Oc1ccccc1Cl 409172013 AUYNSZMYVJZKKV-AWEZNQCLSA-N 475.958 5.039 5 40 JKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 409354874 BRRMIOOZGIRNKC-CIAFOILYSA-N 477.498 5.147 5 40 JKBB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3n2)cc1 6601793 UVMVAGYQGAIVFI-UHFFFAOYSA-N 469.457 5.240 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1F)c1ccc(Cl)cc1Cl 8810571 UYHFAMRWTUZWNF-UHFFFAOYSA-N 484.292 5.094 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 10060342 VNGVGCJTQRKDPA-YADHBBJMSA-N 459.893 5.221 5 40 JKBB Cc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nnc2-c2cccc(C)c2)cc1 89643097 BFDZWYANRPBQTO-UHFFFAOYSA-N 474.542 5.618 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(C)cc1 214904660 RLZOXYJYIUZZCE-ZVHZXABRSA-N 490.537 5.727 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CCCc1ccccc1 409138634 FSXXHLQKYKWYMI-STZFKDTASA-N 468.918 6.177 5 40 JKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 409206423 ODBCHHDWLJWTDW-LCUIJRPUSA-N 463.946 6.032 5 40 JKBB COc1cc(Br)cc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccco3)C[C@H]21 934708 GQXFCZYDPCPUCS-UTKZUKDTSA-N 470.279 5.201 5 40 JKBB O=[N+]([O-])c1ccccc1Sc1sc2ncnc(N3CCCCCC3)c2c1-c1ccccc1 3218807 HIWKVKZYRLINGI-UHFFFAOYSA-N 462.600 6.798 5 40 JKBB COc1ccc(-c2nc(-c3c4ccccc4c(Cl)c4ccccc34)[nH]c2-c2ccccc2)cc1 8408047 BMOSLAYZUXMXOA-UHFFFAOYSA-N 460.964 8.379 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 8449352 WKFVJEUYHNQGMM-VWQFJMCTSA-N 467.518 5.252 5 40 JKBB biogenic Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nc2c1 8590684 WBFSXIYJQFXHOE-UHFFFAOYSA-N 470.529 6.200 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 9948612 CZUFJFFWYMKKMV-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1OC 408547497 YHJMEKGTCHIWET-UHFFFAOYSA-N 465.409 5.052 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564673 DNSIGFNSTHVEOC-VPHKFGTKSA-N 498.366 5.094 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1 408571643 PJLXLFGXLSOACQ-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408607340 LDEGOEDNTXIWBO-UHFFFAOYSA-N 464.261 6.223 5 40 JKBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408752780 GTSFDIVUDZWNDA-MWKZZOCJSA-N 486.527 5.833 5 40 JKBB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409113275 AETKSVPBDDVLSY-UHFFFAOYSA-N 471.351 6.256 5 40 JKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21 2255010 DPPSECIJHFOMKH-UHFFFAOYSA-N 459.981 5.885 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2662223 PRCVBERYWRPZOG-HNNXBMFYSA-N 494.960 5.126 5 40 JKBB Cc1ccc(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c([N+](=O)[O-])c1 9463547 KRZNILOQRINRFZ-SFHVURJKSA-N 451.533 5.222 5 40 JKBB Cc1cc(C)c2cc3c(nc2c1)sc1c(SCC(=O)N2c4ccccc4C[C@@H]2C)ncnc13 13086133 UQKDWTUFJJQMQP-INIZCTEOSA-N 470.623 6.079 5 40 JKBB COc1ccc(NC(=O)CSc2nccc(-c3cc(Cl)cc(Cl)c3)n2)c([N+](=O)[O-])c1 13643409 REHXRPVMOXLGHS-UHFFFAOYSA-N 465.318 5.098 5 40 JKBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142604 ZZUXMLIHDOOKCF-UHFFFAOYSA-N 455.898 5.243 5 40 JKBB COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12 226767644 ZLPSEZUDGKGXGZ-UHFFFAOYSA-N 483.274 5.356 5 40 JKBB Cc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C 408978128 YFQYEMSDABHZRV-UHFFFAOYSA-N 460.566 6.305 5 40 JKBB CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(F)cc3)c(=O)c2c1C 409115882 IBOBZQNJNSKUSA-UHFFFAOYSA-N 469.563 6.048 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 3083880 FWSHXRLWWXJJAT-UHFFFAOYSA-N 498.451 5.800 5 40 JKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3cccc(Cl)c3n2)cc1 8722089 AZFRWUYFCNBBOP-UHFFFAOYSA-N 476.872 5.512 5 40 JKBB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 8831114 RRZUBPYSZPZTTL-UHFFFAOYSA-N 452.517 5.208 5 40 JKBB CCCCC(=O)Oc1cn(CCc2ccccc2)c2nc(CCCC)n3c4ccccc4nc3c12 9124066 LKJDEWAWORWURJ-UHFFFAOYSA-N 468.601 6.518 5 40 JKBB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13146179 HYNPNCLKZGATOG-UHFFFAOYSA-N 495.237 5.261 5 40 JKBB CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 13632952 NFLVUFXKQRQKLZ-UHFFFAOYSA-N 465.381 5.322 5 40 JKBB COc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 21579261 WBYYNPKXMSZENN-UHFFFAOYSA-N 458.474 5.264 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)c([N+](=O)[O-])cc3C)o2)cc1Cl 22748375 OFLIVKRNXWLIBZ-SOFGYWHQSA-N 490.368 6.305 5 40 JKBB Cc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc(C)c1I 57316126 AHZGRBABHDORSV-UHFFFAOYSA-N 486.718 5.937 5 40 JKBB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc([N+](=O)[O-])c4)C3=C(O)C2)cc1OC 101124413 GAQHEKKVQACGCE-DNOBIOAJSA-N 471.513 6.241 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 102773760 DCAZCKMMEAPQGQ-MEWSVHOLSA-N 499.592 5.030 5 40 JKBB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408555731 IDVTVGWBRLAAHK-DEOSSOPVSA-N 484.961 6.005 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 408565882 DBWOJNJSNAXGMI-XMMPIXPASA-N 494.548 5.413 5 40 JKBB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 408801656 WRFQPQSYHMTHNS-JGHMOANSSA-N 488.589 6.909 5 40 JKBB COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 1809243 MFRYUNPSRFIOBC-UHFFFAOYSA-N 452.923 5.797 5 40 JKBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 2251737 WIXVKILYHIAOEY-UHFFFAOYSA-N 495.970 5.247 5 40 JKBB O=c1nc2n(c3scc(-c4ccccc4)c13)Cc1ccccc1[C@H]2Sc1ccccc1[N+](=O)[O-] 3227535 FCFRWJMAGXAMCQ-HSZRJFAPSA-N 483.574 6.277 5 40 JKBB Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6442623 BRXHFTRQFVGZKU-SFHVURJKSA-N 488.573 5.215 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 9056495 OGDILMNNZADNOC-UHFFFAOYSA-N 456.252 5.113 5 40 JKBB COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 9289051 RSPBVFAWBFJCEW-YADHBBJMSA-N 489.919 5.230 5 40 JKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 13776199 CFHCJBNUSCKKNS-XXBNENTESA-N 484.295 5.873 5 40 JKBB CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 20671787 ZZFMMAODYBQIDL-IBGZPJMESA-N 473.558 5.361 5 40 JKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2cc1C 21578702 YAJGUDGRWIERMM-UHFFFAOYSA-N 486.528 5.417 5 40 JKBB CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 22079691 AEAUOARCCCGOMG-UHFFFAOYSA-N 492.881 7.609 5 40 JKBB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 34913739 XCZPUXGJQQEGRC-UHFFFAOYSA-N 490.899 5.995 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1 59489714 NOTGIEUPWQCZHQ-UHFFFAOYSA-N 487.584 5.306 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 100893545 FVSLAVOEKJYXJB-VTJDKEBTSA-N 498.930 5.548 5 40 JKBB Cc1c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1 106745434 COMSMUMJGQYPTD-MYYYXRDXSA-N 483.549 6.143 5 40 JKBB O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 138524622 HRRDTPYGCKINRA-WKEDTZOBSA-N 491.503 5.296 5 40 JKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223499224 OBVJXRAMKRIPEK-IBGZPJMESA-N 480.392 5.166 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564477 DDMNBCGEEMQPKF-MQVPCNEGSA-N 498.366 5.094 5 40 JKBB CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(OCC)cc3)c(=O)c2c1C 409111229 AZSCGVJYBXPHCH-UHFFFAOYSA-N 495.626 6.307 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Cl 409229431 OYOMZQCBGXCOSN-ODLFYWEKSA-N 483.889 5.183 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Oc4ccccc4)cc3)c2ncn1C1CCCCC1 2420055 QAOBAAAKICNHPG-UHFFFAOYSA-N 487.563 6.581 5 40 JKBB Cc1cccc(-n2c(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc3ccccc3c2=O)c1 2624356 RYDAOCVXSDYCOW-HNNXBMFYSA-N 494.960 5.375 5 40 JKBB CCCCCSc1nnc2c(n1)O[C@H](c1c3ccccc3cc3ccccc13)Nc1ccccc1-2 2742089 FCDBCWYVZHRJFP-HHHXNRCGSA-N 478.621 7.630 5 40 JKBB O=C(Nc1cc(Cl)ccc1Oc1ccccc1F)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 15303890 LCAUOVOIKGCRCP-UHFFFAOYSA-N 494.931 7.583 5 40 JKBB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 19929127 YUJUZMUASKBDFY-UHFFFAOYSA-N 489.724 5.344 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1sc2cc(Cl)ccc2c1Cl 20611782 MIYNCSQXPAWZIO-UHFFFAOYSA-N 452.319 5.205 5 40 JKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223782901 OPUCXQPATCPDGN-DNQXCXABSA-N 472.526 5.436 5 40 JKBB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408569273 MQQOYBMZBHRKNE-UHFFFAOYSA-N 484.624 6.242 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408979696 RSCQBDIGAFCQOU-UHFFFAOYSA-N 458.524 6.247 5 40 JKBB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2265784 ZRNIKNIJSNLHNY-HSZRJFAPSA-N 459.498 5.337 5 40 JKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc(Cl)c1 6474757 AGZIUBCTYDSOIV-UHFFFAOYSA-N 465.922 5.227 5 40 JKBB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 8831767 PULAYKORQWSPOY-MRXNPFEDSA-N 464.547 5.360 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8900537 PBQICROJXVAAMV-UHFFFAOYSA-N 489.491 6.303 5 40 JKBB COc1ccccc1-n1c(SCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc2cc([N+](=O)[O-])ccc21 12560925 LWUUQMYOPGRCAR-UHFFFAOYSA-N 498.904 5.479 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 12651598 YSMTXGNNDQUGQN-UHFFFAOYSA-N 497.916 5.329 5 40 JKBB CCOc1ccc([N+](=O)[O-])cc1C1N(Cc2ccccc2OC)CCCN1Cc1ccccc1OC 19326407 VPCALYCYDKKSIM-UHFFFAOYSA-N 491.588 5.417 5 40 JKBB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc([N+](=O)[O-])c2)c2ccccc2)c1C 26770799 FNPMKAZZCWIIST-XMMPIXPASA-N 457.555 6.727 5 40 JKBB CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 33747490 PUNZJXHBOPCVSE-LJQANCHMSA-N 473.986 5.186 5 40 JKBB O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cc1Cl 95470978 KPBZVHGRIYYVQB-UHFFFAOYSA-N 479.275 6.648 5 40 JKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Cl)cc1 106686378 SMILLMQURQUUDF-ODLFYWEKSA-N 467.890 5.672 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408569218 JCYKQPZQQLYZPQ-HXUWFJFHSA-N 481.892 5.726 5 40 JKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3cccc(Br)c3)nc21 2211940 XIDOFULICBSZGY-UHFFFAOYSA-N 478.390 5.573 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2422703 YOWJWTRZHKQAFQ-UHFFFAOYSA-N 459.981 6.134 5 40 JKBB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccccc2)cc1[N+](=O)[O-] 3272936 NJYCARXDYYBRGG-AREMUKBSSA-N 486.553 5.230 5 40 JKBB CC(C)(C)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)cc1 3364107 TVUZKKDNAFRBCG-UHFFFAOYSA-N 479.005 7.086 5 40 JKBB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C 8827413 QRIVLAPSVABSSS-SFHVURJKSA-N 467.890 5.178 5 40 JKBB CCC(=O)Oc1cn(-c2cccc(Br)c2)c2nc(CC)n3c4ccccc4nc3c12 9243082 DZFYRMHBNGRKQB-UHFFFAOYSA-N 463.335 5.467 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc(C(F)(F)F)cc1 9414259 YRYYHZSJKSPSNE-UHFFFAOYSA-N 469.375 5.864 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2cccc(OC(C)C)c2)no1 9487801 LNYGSDMXTJULRN-XMMPIXPASA-N 466.493 5.780 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 16610659 SKUKAWHPQUKDFE-OQRGYWNNSA-N 475.932 7.222 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611826 GPAMTRLKYMXIGX-JXMROGBWSA-N 498.333 5.106 5 40 JKBB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2C1 25391356 NMSHDUUBVDNNSV-HNNXBMFYSA-N 495.963 5.743 5 40 JKBB CC1=NN(c2ccccc2)[C@@]2(SC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 59482988 MZINCGZQTYLKQV-NDEPHWFRSA-N 491.576 6.565 5 40 JKBB CC(C)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 79189020 ZAKGOBIMFWSUPI-UHFFFAOYSA-N 455.558 7.015 5 40 JKBB biogenic O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 101083971 ZRETYNPCWLIMFP-UHFFFAOYSA-N 481.327 5.852 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 108036763 AWVSOWDAJVWQMG-UHFFFAOYSA-N 460.751 5.897 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1 408777523 BHALWPZLYVJYDN-ZRELAVNMSA-N 455.923 5.670 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 2341516 MRWBGLHXFRVITH-UHFFFAOYSA-N 457.342 6.442 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 9309037 YAYVMQCXIONAER-UHFFFAOYSA-N 457.342 6.442 5 40 JKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 22820060 LGDYFWMSIAGVGZ-NTEUORMPSA-N 499.350 6.325 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])c1 215056767 JSVIQWAHRHNFFF-RGVLZGJSSA-N 499.342 6.162 5 40 JKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408542384 IUPPUNFMBJBKFH-YVMONPNESA-N 490.266 5.320 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C 409181019 YIHHWWHPLAFDEO-MTJSOVHGSA-N 477.498 5.147 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409192595 YYZJUIKDQMFZKI-CKWWZSKKSA-N 498.491 5.265 5 40 JKBB CCOc1ccc(Oc2cc(Oc3ccc(NC(=O)C(F)(F)F)cc3)cc([N+](=O)[O-])c2)cc1 1001057 LQWVXMNBHXDYHE-UHFFFAOYSA-N 462.380 6.079 5 40 JKBB CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 1149431 CYQCQMIQQDCGAD-NVMNQCDNSA-N 493.335 5.001 5 40 JKBB O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 1850065 LAVHUNZUCONKQF-UHFFFAOYSA-N 494.547 6.897 5 40 JKBB COc1cc(/C=C/C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccccc1 1904370 NQNUSPYRYQZVEK-ACCUITESSA-N 487.537 5.958 5 40 JKBB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc32)cc1 12311700 MFTWELVAPHPHBD-HNNXBMFYSA-N 466.950 6.015 5 40 JKBB Cc1ccc(/N=c2\sc(Oc3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)n2-c2ccc(C)cc2)cc1 12447525 CETCOLBISJZLPZ-FLWNBWAVSA-N 493.588 7.756 5 40 JKBB CCn1ncc(Cl)c1-c1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13643823 YZGBMODQLDNPRD-UHFFFAOYSA-N 481.919 6.029 5 40 JKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223775512 CEXZLTMSIDJENG-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F 224910518 TWNGNTRSHVDMRX-ZEQRLZLVSA-N 474.517 5.874 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 409245447 SZHOUVUPQCSZSW-LPYMAVHISA-N 480.929 6.064 5 40 JKBB O=[N+]([O-])c1ccc(Cn2cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c3ccccc32)cc1 409259856 GRMVBXVEIXTQCJ-UHFFFAOYSA-N 456.527 5.854 5 40 JKBB CCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O 409360524 PZHKIAFURGLAGM-RQZCQDPDSA-N 468.409 5.471 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2301358 MTBFGCFACNCTJO-UHFFFAOYSA-N 455.562 5.240 5 40 JKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1c(Cl)cc(Cl)cc1Cl 3235601 HTCUGQKPCZMBSM-UHFFFAOYSA-N 458.728 6.749 5 40 JKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 6280106 NXFQLORWMWSOPS-UHFFFAOYSA-N 473.558 5.114 5 40 JKBB COc1cccc([C@@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)c1 13138506 VHHIKDBIOJWYMH-HSZRJFAPSA-N 480.484 5.339 5 40 JKBB COc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 14406248 JZHYXPVWNPYASX-UHFFFAOYSA-N 491.525 5.663 5 40 JKBB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 20151031 RPWSKJKKVSROCW-VMPITWQZSA-N 456.838 5.175 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 32116802 OPOTYIWVMBGCSI-UHFFFAOYSA-N 454.236 5.123 5 40 JKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1cccc(Cl)c1 44086865 UNYYZUAYMNYCTK-UHFFFAOYSA-N 478.961 6.140 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 68708253 QFGHZTCIOGKBER-UHFFFAOYSA-N 476.511 5.400 5 40 JKBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)ccc1[N+](=O)[O-] 408564657 ZVQYWUDVZUJKGF-UHFFFAOYSA-N 461.499 5.110 5 40 JKBB Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 408736956 KDVXMAOULGQLEU-MHZLTWQESA-N 493.563 5.401 5 40 JKBB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409121574 YNSRPSHCFHERRC-UHFFFAOYSA-N 491.769 6.519 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@@H]([C@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1)N1CCCCC1 1745100 VFBMXCBUXZNAED-BJKOFHAPSA-N 455.986 5.513 5 40 JKBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2255272 HMZYZRKKXBQMAI-OAHLLOKOSA-N 480.355 5.078 5 40 JKBB CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)c(-c2ccc(OC)cc2)cc1-c1ccc(OC)cc1 2276976 CYVCSDDISWSTIO-UHFFFAOYSA-N 483.520 6.790 5 40 JKBB C[C@@H](Sc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177392 LCMQKVDAAHSPKE-CQSZACIVSA-N 480.937 5.010 5 40 JKBB O=[N+]([O-])/C=C\c1cn(CCCCCCCCn2cc(/C=C/[N+](=O)[O-])c3ccccc32)c2ccccc12 8651985 AOHDCEYPGMZIKQ-VBGLAJCLSA-N 486.572 7.132 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8899124 RBICCTVBYDYQHO-UHFFFAOYSA-N 497.338 6.562 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@H]3C2=O)c(C)c1 9344767 XRNUNXKWWYCCAH-ZLNRFVROSA-N 495.894 5.055 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4cccc5ccccc45)cs3)CC2)cc1NC1CC1 9720983 TWNKOLPZRZJTJK-UHFFFAOYSA-N 471.586 5.772 5 40 JKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C(=O)/C=C/c1ccccc1 13301210 IDFHROSELBGYDS-WUKNDPDISA-N 457.511 5.360 5 40 JKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2cc1C 21578693 WWNSFVQHHITKFD-UHFFFAOYSA-N 486.528 5.417 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1Br 32115632 PCSMSNOAAHOQPB-UHFFFAOYSA-N 468.263 5.426 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F 408556177 IDADRIRMWHCOKY-UHFFFAOYSA-N 475.314 6.086 5 40 JKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 409181916 GRAKWHFATOWTJB-DEOSSOPVSA-N 466.877 5.134 5 40 JKBB C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2c(Cl)cccc2Cl)n31 2445743 TZBXGIGGIHUHDY-SNVBAGLBSA-N 475.430 5.711 5 40 JKBB O=C(C1CCCCC1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 15905907 QMJKVBHARGQLNF-FFETZYIDSA-N 488.544 6.206 5 40 JKBB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl 19927321 WUSJYBHOFONUOQ-UHFFFAOYSA-N 454.689 5.036 5 40 JKBB CCOc1cc(C=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 35657389 QRGXAMWTKJGJTQ-UHFFFAOYSA-N 481.164 5.222 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cn1)c1sc2c(Br)ccc(OC(F)F)c2c1Cl 36611087 SZOWIBUJBWSUPZ-UHFFFAOYSA-N 478.658 5.474 5 40 JKBB C[C@@H](Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 40119623 CTKVIBWVCSADTB-OAHLLOKOSA-N 467.485 5.343 5 40 JKBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 408583204 SIZHHGKSAQGNPU-UHFFFAOYSA-N 453.829 6.078 5 40 JKBB COc1cc(NC(=O)CSc2ncnc3c2sc2nc4cc(C)ccc4cc23)cc(OC)c1 1327853 BEPQENLTCQAIQM-UHFFFAOYSA-N 476.583 5.449 5 40 JKBB Cc1cc([C@@H](O)CN(CCCC(C)C)CCCC(C)C)cc2c1ccc1cc(C(C)C)ccc12 1700116 SIBCIFVTCGDLLF-YTTGMZPUSA-N 461.734 8.633 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2Cc1ccccc1 2255232 FZSPURMZAPXIJP-UHFFFAOYSA-N 465.944 5.353 5 40 JKBB COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924937 XGRSCRROXLPISY-ZZQKJMNASA-N 459.546 5.498 5 40 JKBB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c2)N3)C1 8874891 GIERNEQTXVUWNK-QKVFXAPYSA-N 480.502 5.336 5 40 JKBB Cc1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 14412222 KANVCNVKURLJSD-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)c1 59294543 UBAABNKJFBMHEH-UHFFFAOYSA-N 472.545 5.644 5 40 JKBB Cc1c(O)ccc2c1oc1c(-c3ccc4ncccc4c3)c3c(O)nn(C4CCCCC4)c3nc12 79486107 JFJYGQYGOIHRAN-UHFFFAOYSA-N 464.525 6.771 5 40 JKBB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 215256923 AOJKCWNMRCUUGY-FYJGNVAPSA-N 478.482 5.268 5 40 JKBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223446080 GMZYFTCXYNFXGF-JWQCQUIFSA-N 486.553 5.431 5 40 JKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224453777 MYGNEJMCBVJSLM-NRFANRHFSA-N 492.403 5.310 5 40 JKBB CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 408574521 VCGMNKCCNDWXSI-IBGZPJMESA-N 477.384 5.155 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1c[nH]c2ccccc12 408576693 YBMQSSQDAPGEOE-HXUWFJFHSA-N 451.866 5.717 5 40 JKBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)c1 409241610 KIWILRQDFASRLK-UDWIEESQSA-N 497.429 5.807 5 40 JKBB O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(Oc2cccnc2)cc(Sc2ccc(Cl)cc2)c1 676901 LVBALDIJEMVDTD-UHFFFAOYSA-N 481.921 5.422 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nc2c1 8590694 VXCDTCFDGZMHTA-UHFFFAOYSA-N 484.556 6.508 5 40 JKBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCc1ccc(Cl)cc1 8792138 NOHZPKTWMABJBM-KRWDZBQOSA-N 495.966 5.372 5 40 JKBB biogenic CC(=O)c1ccc(Sc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)c([N+](=O)[O-])c1 9379235 BTZDHKAEEWDVKF-OAQYLSRUSA-N 474.498 5.042 5 40 JKBB CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C(=O)OCC(C)C)=C(C)N1 26964962 GLZDXTUIKDOFNJ-UHFFFAOYSA-N 496.560 5.488 5 40 JKBB N=C(NC(=N)Nc1cc2ccccc2c2ccccc12)Nc1cc2ccccc2c2ccccc12 31614446 UQAUGASXZKLKHW-UHFFFAOYSA-N 453.549 7.283 5 40 JKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 106680574 WMXDTYFSGXBMPH-UCQKPKSFSA-N 476.510 5.419 5 40 JKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408609155 OJMMINODRGVGKR-UHFFFAOYSA-N 463.331 6.702 5 40 JKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 408666163 GHHPLAOQXUTIHY-UHFFFAOYSA-N 491.887 5.268 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409182659 MUFVMFUBDDTCQA-UHFFFAOYSA-N 486.436 6.445 5 40 JKBB Cc1ccc2oc3cc(NCCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9424624 FGIOGFFEWQHKLV-LJQANCHMSA-N 481.596 5.783 5 40 JKBB Cc1cc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] 12602285 ZDILPCADKVGTEN-HHHXNRCGSA-N 493.519 5.591 5 40 JKBB O=C(Nc1cc(Cl)ccc1Sc1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13147757 SMVSMIJHZVMGIW-UHFFFAOYSA-N 468.893 7.051 5 40 JKBB O=C(Nc1ccc(I)cc1F)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294438 UXQWRQICVDHYKU-UHFFFAOYSA-N 476.654 5.459 5 40 JKBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100864381 HNYADDICHTXWIO-ZMWUJFKZSA-N 480.611 5.884 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 106687716 LVLKKSLTXKSGEC-XKZIYDEJSA-N 480.929 6.064 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224476593 ILHNYAWJOONRCL-DHIUTWEWSA-N 476.945 6.080 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(Cl)cc1 408569134 IYKCPTVFSISKBH-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)c1 408576030 XETIBPGPJAOIQS-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1c[nH]c2ccccc12 408576688 YBMQSSQDAPGEOE-FQEVSTJZSA-N 451.866 5.717 5 40 JKBB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 408801654 WRFQPQSYHMTHNS-IVTWHQKDSA-N 488.589 6.909 5 40 JKBB O=C(CSc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-])Nc1ccccc1 408991278 NGLNZJWKNYPACZ-UHFFFAOYSA-N 492.582 5.582 5 40 JKBB CCOc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408992808 CDRFHNVSFABIAQ-UHFFFAOYSA-N 482.448 5.313 5 40 JKBB COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 2211298 XLTXMHLHMVSVQS-UHFFFAOYSA-N 461.426 5.168 5 40 JKBB biogenic CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 3433216 UOAGCKSHYBIKCS-IGVGMEOHSA-N 454.530 5.104 5 40 JKBB O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474692 YOHJQCNNZZUTBW-UHFFFAOYSA-N 494.964 5.172 5 40 JKBB COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 9034183 VSBLGSOQGRXXQX-SANMLTNESA-N 490.452 7.065 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(F)cc1 9360072 KHIKRHXUAYKXPT-UBFVSLLYSA-N 499.454 5.045 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12590181 CQHQWJZGTASBAU-GOSISDBHSA-N 460.273 5.251 5 40 JKBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 32119214 XNAJTSXIRFOMAN-UHFFFAOYSA-N 480.571 5.934 5 40 JKBB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 224937634 QSOVNVSGOUWBJT-KRWDZBQOSA-N 496.029 5.161 5 40 JKBB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225537729 QUGOSXLWSHSQBY-UHFFFAOYSA-N 479.621 6.080 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 408572734 RXMOLDOFYJFLNK-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB COc1cc(OC)cc(-c2nc(S/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O)n[nH]2)c1 408634685 WLRFEXNKQIZFKO-IWIPYMOSSA-N 483.549 6.013 5 40 JKBB O=C1N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1Cc1ccccc1F 409094570 DUAVQEXECVPMFZ-MFKUBSTISA-N 497.482 5.559 5 40 JKBB O=C(Nc1cccc(Br)c1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409336651 OUBLEMZXZAYHPL-UHFFFAOYSA-N 480.325 5.894 5 40 JKBB COc1ccc2c(=O)c3c(=O)n(CCc4ccccc4)c(-c4ccc(Cl)cc4)nc3oc2c1 2202107 IJQITXFAKVFXCG-UHFFFAOYSA-N 458.901 5.075 5 40 JKBB CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2202346 GFGBGRBYGPTNGI-JOCHJYFZSA-N 483.505 5.623 5 40 JKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3cccc(Br)c3)nc21 2218665 CEIHPBYUGZGUPR-UHFFFAOYSA-N 464.363 5.183 5 40 JKBB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2267529 HPSZDJFYTVXRQH-HHHXNRCGSA-N 491.012 7.598 5 40 JKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1 2448297 YJYQXUMNVNNIFO-UHFFFAOYSA-N 452.923 5.797 5 40 JKBB Cc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3ccccc3c2=O)c(C)c1 3440793 QDICYEFQISGUGK-UHFFFAOYSA-N 475.526 5.070 5 40 JKBB CC(C)c1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)cc1 8608618 ZRCJOUHBJBVEOH-UHFFFAOYSA-N 451.504 5.054 5 40 JKBB aggregator COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)nc2c1ccc1ccccc12 12487999 DJFTWPSPOMYIFA-UHFFFAOYSA-N 465.578 6.498 5 40 JKBB COc1cc(OC)c([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1OC 13571550 UMCRCAJEFVTDOE-XMMPIXPASA-N 498.491 5.018 5 40 JKBB O=[N+]([O-])c1cccc(-c2cn3c(n2)c(-c2ccc4cccc([N+](=O)[O-])c4n2)cc2ccccc23)c1 20095014 NLTFHUFGUAYTGR-UHFFFAOYSA-N 461.437 6.186 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410839 KJHJAJGVDZAHHF-XBXARRHUSA-N 488.327 5.650 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc2c1OCCO2 95475599 GLXSUPXOUOYBCG-UHFFFAOYSA-N 473.485 5.304 5 40 JKBB CCCOc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 95682012 FKZISEFBYFWMSK-UHFFFAOYSA-N 492.400 5.678 5 40 JKBB COc1cc(/C=C2\N[C@H](c3ccccc3)N(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2=O)ccc1O 100297906 UJEPZFMTORBPDR-KRJVNCKSSA-N 486.311 5.292 5 40 JKBB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 101330810 ZQMCBXHHTJVJOV-UHFFFAOYSA-N 464.817 5.003 5 40 JKBB Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)cc1 106741006 RJJBALZBFJKHBH-QFEZKATASA-N 483.549 6.143 5 40 JKBB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223433420 YJDLXXSJXAJMPE-AJTFRIOCSA-N 487.600 5.001 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564670 DNSIGFNSTHVEOC-HFRGRHLUSA-N 498.366 5.094 5 40 JKBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)C(=O)O)nnc1-c1ccc(Cl)cc1 408631171 CMNACFONLQVZGI-XSFVSMFZSA-N 499.980 5.345 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc12 409182807 ODMDTEBRSQJBQL-MHZLTWQESA-N 494.528 6.653 5 40 JKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 409346678 ODFFENMLPVMUMC-LPYMAVHISA-N 491.525 5.653 5 40 JKBB c1ccc(CSc2nnc3c(n2)O[C@@H](c2c4ccccc4cc4ccccc24)Nc2ccccc2-3)cc1 2073728 HGWVCONQFOSSGA-LJAQVGFWSA-N 498.611 7.640 5 40 JKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2618461 WQEZIXNNHHJDDA-UHFFFAOYSA-N 491.887 5.324 5 40 JKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)c1 8832094 PDVVOTDFTYECOJ-UHFFFAOYSA-N 453.454 6.532 5 40 JKBB O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8898689 DYDYEDHJWHFEGA-UHFFFAOYSA-N 490.741 5.233 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])n1nc(NCc2cccc(Cl)c2)nc1NCc1cccc(Cl)c1 9847107 WJFMPHGZMGGTFW-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060344 GORCOXUIUCBZQZ-DHIUTWEWSA-N 489.919 5.230 5 40 JKBB COCc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)sc2cccc(F)c12 12922068 CECZAYFORYWLBX-NSHDSACASA-N 457.439 5.063 5 40 JKBB O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 13134857 ROWAUWQIXGMBLP-UHFFFAOYSA-N 495.866 5.185 5 40 JKBB Cc1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 13939914 XJUPGOPQFSBWJU-DEQMQSMYSA-N 476.532 5.635 5 40 JKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14277731 FRECWKVPWUUDAX-UHFFFAOYSA-N 476.920 6.217 5 40 JKBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 14404903 OXXOWEQMXCMZGG-LFIBNONCSA-N 481.512 5.302 5 40 JKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 16347575 FRLQKGAEOHWHGV-UHFFFAOYSA-N 479.970 7.300 5 40 JKBB CCCN(CCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 17109614 BCMHRHQLBDERSR-JOCHJYFZSA-N 458.351 7.474 5 40 JKBB O=c1[nH]c(SC/C(=C\Cl)Sc2ccc([N+](=O)[O-])cc2)nc2sc3c(c12)CCCC3 36625368 MNDGCQAIWUXEIH-UKTHLTGXSA-N 466.009 5.736 5 40 JKBB COc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1Cn1cc([N+](=O)[O-])cn1 100951003 UQINBBCJUOGENP-VWLOTQADSA-N 473.533 5.720 5 40 JKBB O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@@H](c2ccc([N+](=O)[O-])cc2)C1 101094078 QTELSKJARTZQOU-HXUWFJFHSA-N 489.329 5.305 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106706539 NTSIRWSSEWHJFL-XKZIYDEJSA-N 491.525 5.726 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O[C@H](C)CC 215010095 NJECNARPVLGTHV-NWGMWSOJSA-N 456.520 5.407 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408557335 MSXLKEXKEZZFFQ-UHFFFAOYSA-N 469.925 5.585 5 40 JKBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408573368 CWVAHOBNNMGNQL-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 408618697 DZRMQWQFRUECQD-WJQBNGMASA-N 482.923 5.672 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])S2)cc1 408778828 MAELRMGVLDQCFH-ZSJKCPIUSA-N 491.569 5.344 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 409139991 CHSVKEVFUKTEOX-MHZLTWQESA-N 483.955 6.610 5 40 JKBB Cc1ccc(C(=O)COC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1[N+](=O)[O-] 409181561 CONJZWNSQKKCSL-UHFFFAOYSA-N 484.302 5.284 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccccc1 409218765 KMKKFXRIBNVBQH-OEAKJJBVSA-N 474.494 5.093 5 40 JKBB O=C(COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 3355372 FKCBXFABLMBPJW-NRFANRHFSA-N 462.527 5.097 5 40 JKBB O=c1cc(CSc2nnc(COc3ccccc3Cl)o2)c2c(ccc3ccccc32)o1 3364718 TWFZPCCINPLBML-UHFFFAOYSA-N 450.903 5.854 5 40 JKBB CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 3428361 VZUUVZLAEDVNHV-USXRGHEGSA-N 454.530 5.104 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 6143798 OKTPKMIXHGAVLN-UHFFFAOYSA-N 481.255 5.759 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 9158219 XWYDNAHGHBRHFE-UHFFFAOYSA-N 485.588 5.135 5 40 JKBB CCC1(CC)O[C@H](c2ccc([N+](=O)[O-])o2)Nc2c(Br)cc(Br)cc21 34133525 AKQFRAWGLXXBLQ-OAHLLOKOSA-N 460.122 5.869 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 35855306 LTUBORRLMJGHQI-CBUXHAPBSA-N 499.592 5.030 5 40 JKBB Cc1cc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(Cl)cc2)no1 44087625 BEYTYHVFXQMAJE-UHFFFAOYSA-N 469.910 5.128 5 40 JKBB c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1 95871262 KOIMINKJYIDAOZ-UHFFFAOYSA-N 482.626 10.661 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224222129 QMPFXEPEFLZJHZ-DNQXCXABSA-N 456.527 5.735 5 40 JKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)c(C)c1 408607656 UEWUNYYAXFDFMO-UXBLZVDNSA-N 471.897 5.440 5 40 JKBB O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409222800 XMNPQQVCBCMKAS-ZVHZXABRSA-N 487.512 5.973 5 40 JKBB O=C(COc1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 1794506 MMQPIHDTEFFRML-UHFFFAOYSA-N 472.388 5.836 5 40 JKBB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2093858 ZITYTRBUWDXMEU-SZNDQCEHSA-N 469.534 5.108 5 40 JKBB biogenic CC1(C)c2ccccc2N(Cc2ccccc2)[C@]12C=Nc1c(ccc3cc4ccccc4cc13)O2 12321561 AIVCYTIEBTYOHM-YTTGMZPUSA-N 454.573 7.782 5 40 JKBB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 12861580 DHRPHNKXHQMAHS-OAQYLSRUSA-N 472.364 5.005 5 40 JKBB CCCCOc1ccc(CNc2ncnc(NCc3ccc(OCCCC)cc3)c2[N+](=O)[O-])cc1 13582686 GHFQZOYLPZOALT-UHFFFAOYSA-N 479.581 5.967 5 40 JKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14274105 PPKFITZLRZTFEN-UHFFFAOYSA-N 492.538 5.295 5 40 JKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277734 HUVVIBVSHIAARS-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc(/C=C/c3nc4ccc([N+](=O)[O-])cc4s3)o2)c(Br)c1 14356674 CYOSXJNLVIQCMP-XBXARRHUSA-N 472.276 6.306 5 40 JKBB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 22079295 FPEXVXFJGRANEF-UHFFFAOYSA-N 460.408 6.284 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 22572927 WNZFXVWIZNBJQE-UHFFFAOYSA-N 463.925 5.885 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F 224908541 HECPNSCMXQBRMT-BJKOFHAPSA-N 473.533 5.405 5 40 JKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 408803000 KFWAZUYQRUUANU-UHFFFAOYSA-N 491.332 5.933 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 409097390 GOHRFWHUYFTWHD-UHFFFAOYSA-N 476.867 6.666 5 40 JKBB O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)[C@@H](O)c2ccccc2-3)cc1 1608854 HSIQHLQAKLYRAP-MHZLTWQESA-N 467.481 5.772 5 40 JKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 2127308 MHRZFNDAQVXITN-UHFFFAOYSA-N 463.583 7.888 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2257158 ZKLYVUPSSZHPLF-UHFFFAOYSA-N 463.463 5.726 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 3183207 ZZYTVIRMHIVAQV-UHFFFAOYSA-N 499.854 5.320 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1F 9232491 PAIODWIULGGAPD-YDZHTSKRSA-N 494.500 5.558 5 40 JKBB O=C([C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1)N1CCCC1 12524943 CSYSXFSJRPBTBQ-HSZRJFAPSA-N 485.569 5.298 5 40 JKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C 21578720 PSIXSJCEAJJCGF-RMKNXTFCSA-N 461.905 6.634 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(Cc3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 35167470 NOAHINWNMZVPDU-UHFFFAOYSA-N 474.563 7.396 5 40 JKBB O=c1c2ccccc2nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1Cc1ccccc1 59474512 MSQCCSXZWFQXFD-UHFFFAOYSA-N 457.433 5.523 5 40 JKBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363405 DADDLBUPRKEKFK-UHFFFAOYSA-N 483.332 7.605 5 40 JKBB CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408564105 XTQNRPPZVYPKLD-FLFQWRMESA-N 464.374 6.145 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 408771334 FNWPQJOGKHFMDN-LWUPDDLQSA-N 461.543 5.336 5 40 JKBB O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccccc1 409246305 APZMLSLPJKXVLR-CIAFOILYSA-N 498.322 5.574 5 40 JKBB O=[N+]([O-])c1ccc(C=Cc2cccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 2049238494 JUZPPVPZHHLCTG-ROUKWSBLSA-N 462.374 5.660 5 40 JKBB O=C(CCSc1nc2ccccc2c2nc3ccccc3n12)N1CCN(c2ccc(F)cc2)CC1 12535006 SEGJEPNQDQLKCP-UHFFFAOYSA-N 485.588 5.006 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc12 14132369 GVEXFMBTPDCYRV-YDZHTSKRSA-N 490.924 6.898 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 22746474 FAZYJPFBDWTHPD-HNNXBMFYSA-N 488.569 6.352 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224412022 XJNYBLAIYLFYDM-XZOQPEGZSA-N 460.490 5.566 5 40 JKBB O=C1[C@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 239284774 CACWZHSYVDZDDS-VIJSPRBVSA-N 493.519 6.025 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 409055043 XTBRSBQMUVHIBG-UHFFFAOYSA-N 498.879 6.338 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc12 409182805 ODMDTEBRSQJBQL-HHHXNRCGSA-N 494.528 6.653 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409188293 FTHVJNXAEMUDCH-YBFXNURJSA-N 456.863 5.758 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 1846696 UPACAKVQPYTLQU-CQSZACIVSA-N 463.921 7.131 5 40 JKBB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 2195007 RSWXNAGRFYTXKA-UPCLLVRISA-N 474.473 5.036 5 40 JKBB C[C@@H]1CC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21 9041938 KJWYJIJFOGDKJN-MRXNPFEDSA-N 489.484 5.655 5 40 JKBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2[N+](=O)[O-])C1 13112667 ODURNVAPHCSKRP-GOSISDBHSA-N 474.565 5.068 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Br)c2ccccc2)cc1/C=C/c1ccccc1 13403295 IZUCMCYILUILLB-IZOCETQSSA-N 451.276 6.566 5 40 JKBB Cc1n[nH]c(SCc2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)n1 20293595 ZQYFESPOUXMTRL-UHFFFAOYSA-N 459.940 5.434 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2/C=C2\Sc3nnc(C(F)F)n3N=C2c2ccccc2)c1 35667048 LYYGVOGGCXYRCF-AQTBWJFISA-N 464.457 5.314 5 40 JKBB COc1ccc(-c2ccc(C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)cc1[N+](=O)[O-] 226363377 CVFXFXDAELZDLK-UHFFFAOYSA-N 478.913 6.960 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 408608062 MLDJTNXDHTZNSU-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408624094 UJEFUBKJAYOVFH-UHFFFAOYSA-N 456.079 6.176 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1[N+](=O)[O-] 408725980 JRHJEUOBZDQXRK-GRSHGNNSSA-N 475.309 6.711 5 40 JKBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1-c1ccccc1 409372912 SISSFQLOJMWXMP-AYQSDIEASA-N 472.500 5.139 5 40 JKBB CCOc1cc2c(OCc3ccccc3)cc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC 1582264 OJMWIQSPZOCJKJ-UHFFFAOYSA-N 484.572 5.974 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 1824421 KMYZHAZPUUYZQS-JLHYYAGUSA-N 469.884 6.862 5 40 JKBB O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@@H](c3ccc(F)cc3)C2)c1 8826582 SZERLKBGFVXMRY-HSZRJFAPSA-N 462.481 6.352 5 40 JKBB COc1cc(OC)cc([C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])c2nccn2C)c1 9467065 UJCATTBTCZDCEH-SFHVURJKSA-N 470.835 5.219 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 14277282 NBSOSMMHQSPTSC-UHFFFAOYSA-N 476.986 5.010 5 40 JKBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 14405047 WIQLKLCSLCEZQL-CCEZHUSRSA-N 481.512 5.302 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2cccc3ccccc23)cc1 39743639 SQNRRFGFNNQWNY-UHFFFAOYSA-N 495.520 5.771 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 106698969 DFHFCAGAIDMLDA-ODLFYWEKSA-N 474.325 5.929 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214985325 BEJZQGKZEWINAP-LPYMAVHISA-N 480.929 6.064 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 408995523 JURVSWICRFENIT-ZXRKZBAXSA-N 482.967 7.298 5 40 JKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc(C(F)(F)F)c1 409181677 DSIYMPQEVRTLPS-UHFFFAOYSA-N 488.418 5.868 5 40 JKBB O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 409182950 PHAMUNPNZBDLBU-SANMLTNESA-N 480.476 5.628 5 40 JKBB CCCOC(=O)c1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)sc2c1CCCC2 2753383 MNXHGPFSDBNNGT-UHFFFAOYSA-N 496.589 5.216 5 40 JKBB CC(C)Oc1cc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl 8855323 KMONWEOLYHKPIC-UHFFFAOYSA-N 485.320 6.934 5 40 JKBB O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 8856450 YQXDTYFPXKRTOM-UHFFFAOYSA-N 451.507 6.112 5 40 JKBB CCc1ccc(C2=NN(c3ccccc3)[C@@]3(CC2)SC(C(C)=O)=NN3c2cccc([N+](=O)[O-])c2)cc1 8867397 VMSLSADPKGXYHE-HHHXNRCGSA-N 499.596 5.971 5 40 JKBB Cc1ccc(-n2c(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1C 9130825 QJGDAHUSGLOTQD-UHFFFAOYSA-N 480.571 5.014 5 40 JKBB C[C@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13068555 UJDBEQOARRKFMN-LBPRGKRZSA-N 479.967 5.301 5 40 JKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 20212912 YYJFMEBTXGTUJU-QHCPKHFHSA-N 489.329 5.806 5 40 JKBB COc1c2c(cc3c1[C@@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 106533874 DOTASAVNOLKOGW-UKDVSSAZSA-N 494.696 6.125 5 40 JKBB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225507302 ONIHOLOVMMJRCJ-OAQYLSRUSA-N 465.594 5.689 5 40 JKBB Cc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])cc1C 225885880 XJUPGOPQFSBWJU-BFHHXVSESA-N 476.532 5.635 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408558428 UOWAYWDCMCTAJN-UHFFFAOYSA-N 488.294 5.465 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)c1 408569571 JQCACIFEVUKYPM-XMMPIXPASA-N 478.549 5.712 5 40 JKBB CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl 408570887 MEJNIOPEJPQFRD-KRWDZBQOSA-N 471.341 5.530 5 40 JKBB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 8722429 RRXHPVGIETVIBM-UHFFFAOYSA-N 476.703 6.924 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1 12549700 QWEMDPHEGOJSJO-QHCPKHFHSA-N 493.361 5.351 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2sccc2[C@H]1c1ccccc1 12609354 SBYJEUMFPPRFDA-HHHXNRCGSA-N 450.563 5.391 5 40 JKBB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-] 14272759 RQSWGXSXSOIFQG-UHFFFAOYSA-N 459.506 5.412 5 40 JKBB O=c1cc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c2c(ccc3ccccc32)o1 15524063 HGWCSGXEHDNYBA-UHFFFAOYSA-N 453.464 5.072 5 40 JKBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)cc2)o1 16400001 NRXYMDDBWIXBKX-UHFFFAOYSA-N 484.946 5.759 5 40 JKBB O=[N+]([O-])c1ccccc1Sc1sc2ncnc(N3CCOCC3)c2c1-c1ccccc1 21487126 AVQIOWRYCULHCV-UHFFFAOYSA-N 450.545 5.254 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 32124565 XVILKSDJRHPSNL-HMAPJEAMSA-N 462.552 6.291 5 40 JKBB Cc1ccc2c(Cl)c(C3=N/C(=C/c4c5ccccc5cc5ccccc45)C(=O)O3)sc2c1 408838280 DCCTVMNUHGBPLU-HYARGMPZSA-N 453.950 7.514 5 40 JKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409095897 ISGFARDADYSWKJ-CIAFOILYSA-N 493.903 5.323 5 40 JKBB CC1(C)c2ccccc2N(CCOC(=O)c2ccccc2F)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2055040 GWOPHLSZWRCRQD-MHZLTWQESA-N 474.488 5.491 5 40 JKBB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)c(N)c23)cc1 6157181 BURBPVFQRAPUCU-UHFFFAOYSA-N 496.548 6.382 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 14272554 BGBWFSSICNTUKU-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3O)nc2c1 14275057 MANMFALRXJQKJK-UHFFFAOYSA-N 476.514 5.161 5 40 JKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccccc1[N+](=O)[O-] 16545090 OMUYHEYUPYBKCF-UHFFFAOYSA-N 468.494 5.683 5 40 JKBB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 16656162 GZXBZZXETUXRHM-MRXNPFEDSA-N 454.555 5.208 5 40 JKBB CCOc1ccccc1/C=C\c1cc(/C=C/c2ccccc2OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 16926290 LCGDFKVPGMGRPZ-VCFJNTAESA-N 460.486 6.641 5 40 JKBB CC1=C(C(=O)Nc2ccccc2C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C)=C(C)N1 31772126 DSJRXXZWWWCRNC-UHFFFAOYSA-N 496.567 5.724 5 40 JKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc(C)c1OCc1ccccc1 225538614 MRZIGCWEULSVIP-UHFFFAOYSA-N 458.558 6.631 5 40 JKBB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CCSc1ccc([N+](=O)[O-])cc1Cl 408529693 NTFHKKZLWBFLOT-UHFFFAOYSA-N 478.961 6.288 5 40 JKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O)o1 408633785 PJFBKUJFLRTGPD-ODLFYWEKSA-N 499.888 5.785 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)cc2)cc1 408993183 VPUBFBCLWDFPLO-UHFFFAOYSA-N 461.543 6.210 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1CCCc1ccccc1 409128609 SLAOQRDAOHSTRE-KGENOOAVSA-N 468.918 6.177 5 40 JKBB CCCCCN(CCCCC)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1 1729529 YZMHVVABFHELFO-UHFFFAOYSA-N 454.452 7.621 5 40 JKBB O=C(O[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Cl)c1ccccc1Cl 2275357 VYQFAMTUTNWIAF-FQEVSTJZSA-N 491.377 7.159 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC(C)(C)CC3=O 4149964 ISKCMIBUHWZGAC-UHFFFAOYSA-N 478.526 5.759 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ncc(Cc2cccc(Cl)c2)s1 8741750 VHNSIKXWUQBKAQ-PKNBQFBNSA-N 465.918 6.207 5 40 JKBB COc1cc(C(=O)OCC(=O)Nc2ccccc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9126550 BOERZSMKXBFXFC-UHFFFAOYSA-N 470.865 5.153 5 40 JKBB CC(C)CC(=O)Oc1cn(-c2cccc(Cl)c2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9293137 SJPJFNWHSBHYDZ-UHFFFAOYSA-N 474.992 6.630 5 40 JKBB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 22066171 OTXWSIGCMVMENA-MHZLTWQESA-N 463.577 6.197 5 40 JKBB in-vitro C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)C1 225507212 GVUZVPZNPXPOSQ-OAQYLSRUSA-N 465.594 5.546 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccccc1 408570003 KNXDKMHJYPADPW-QHCPKHFHSA-N 480.977 5.918 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 409177239 FIHSORJSGZAOCN-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409360345 ZZSAAFHZTCPGPG-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 2410253 VVHHGMNTLWHNMY-UHFFFAOYSA-N 457.843 5.366 5 40 JKBB Cn1c2ccc(Cl)cc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccccc3Cl)nc21 8836312 CPPDCCPRMGARSA-UHFFFAOYSA-N 468.384 6.118 5 40 JKBB CCn1c2ccccc2c2cc([P@@](=Nc3cc([N+](=O)[O-])ccc3C)(N(C)C)C(C)(C)C)ccc21 12524736 JVXBWNSNODEFAA-UUWRZZSWSA-N 476.561 7.464 5 40 JKBB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 14730514 ZXOJIHOMZWRQCR-UHFFFAOYSA-N 489.524 5.429 5 40 JKBB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33629531 SUUKEAKMUNAYMD-UHFFFAOYSA-N 487.855 5.561 5 40 JKBB CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1/C=C/c1cccc(OC)c1C(=O)OC 100032921 VVTUPLMRUAQYCL-JQIJEIRASA-N 457.526 5.758 5 40 JKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 408804272 WTTJYQGNZKOIPE-UHFFFAOYSA-N 480.953 5.899 5 40 JKBB CCC(=O)Nc1cc(OC)c(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Cl 409176952 CBNYXRXLFJZXRK-UHFFFAOYSA-N 484.892 5.755 5 40 JKBB COc1cccc2cc(-c3cc(=O)oc4cc(OCc5ccc([N+](=O)[O-])cc5)ccc34)c(=O)oc12 2125450 MGHIEEPFMLEALR-UHFFFAOYSA-N 471.421 5.062 5 40 JKBB biogenic CCCOc1ccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1OCCC 3419608 GKZBUNLRBUHRNC-UHFFFAOYSA-N 480.586 6.884 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(C)cc1 8990023 OFQLODSXQNGHPS-XKZIYDEJSA-N 458.470 5.225 5 40 JKBB CCCCCC(=O)Oc1cn(-c2ccc(C)cc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9242829 RJVNCEUWMGBNJM-UHFFFAOYSA-N 482.628 7.353 5 40 JKBB CCCC(=O)Oc1cn(Cc2ccc(OC)cc2OC)c2nc(CCC)n3c4ccccc4nc3c12 9293069 RMCBKCFFJUKBJM-UHFFFAOYSA-N 486.572 5.561 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)c2C(N)=O)C1 21596045 NCEPRHFRNFPIBG-JTQLQIEISA-N 492.022 6.027 5 40 JKBB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)c1 57316049 VNCYFUAWXKRBBA-UHFFFAOYSA-N 470.529 6.200 5 40 JKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cn1nc(-c2ccc3c(c2)OCO3)n(-c2ccccc2)c1=S 62275150 PASXSDMDCAHPQR-QGZVFWFLSA-N 489.557 5.358 5 40 JKBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccc(Cl)cc3c2=O)cc1OC 101340386 ZWFKVZZCSOOHSC-UHFFFAOYSA-N 480.860 5.291 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1C 408567213 GTWDPQMEMKTLMW-VWLOTQADSA-N 492.576 6.021 5 40 JKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(CNc3ccccc3)cc2Br)cc1 409117906 MCCCYLOMUCCKPY-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB Cc1c(Br)cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 409176765 XAZFDSGJKJLNFD-OAQYLSRUSA-N 499.273 5.355 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1cccc(F)c1 409243650 ZJJLNULAARWKQX-OEAKJJBVSA-N 456.498 5.807 5 40 JKBB CN(C)c1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 8691764 WGCKGYUFBBLHEK-FXSWLTOZSA-N 473.960 5.302 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 9892106 GBGCSUVDGGXDAL-UHFFFAOYSA-N 473.872 6.227 5 40 JKBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)c(Cl)c1 14270852 FJVHSZYSFLDPDZ-UHFFFAOYSA-N 453.332 5.152 5 40 JKBB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1 59490040 CVLLSLJSDOXOFD-RUZDIDTESA-N 460.018 6.288 5 40 JKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C/c4ccccc4)[C@@H](c4ccccc4)N23)c1 102429273 BCDNAOCWEMINJR-ZLXXADCTSA-N 477.589 7.575 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 227546523 CFONSXBLQKZZEQ-YQHHHJOQSA-N 490.559 5.944 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1 408576565 XSFCMFRNQKOMGP-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB CCn1c(S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635120 YZMYDHBVSVKEFS-ZHZULCJRSA-N 495.948 5.535 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)CC1=O 408646170 VSGILTSKDDXKSJ-HXUWFJFHSA-N 497.507 5.541 5 40 JKBB O=C(O)c1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409140537 FIEAQSNNBGKVRQ-MHZLTWQESA-N 493.519 5.654 5 40 JKBB O=C1[C@H]2[C@H](C(=O)N1c1cc(C(F)(F)F)ccc1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409370593 AVXQTNGBEXMBDT-YQORSWRPSA-N 498.844 5.144 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2302447 MLJLQFNUYGJBRI-UHFFFAOYSA-N 471.992 6.064 5 40 JKBB CCOc1ccc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2C(C)(C)C)cc1 2718602 RPTQCUZPUDVTLL-UHFFFAOYSA-N 455.536 5.624 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 4786436 NVKJGHQDANITLN-XMMPIXPASA-N 453.502 5.489 5 40 JKBB COc1cc(OC)c(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1Cl 8836489 AIZJUJHAHPTTIP-UHFFFAOYSA-N 461.865 5.215 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 8892890 KHYAIPHXHMJFDV-SOFGYWHQSA-N 477.329 5.193 5 40 JKBB COc1ccc(Cl)cc1-c1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)o1 9191361 YQBLSZZHXWTTAZ-UHFFFAOYSA-N 484.715 5.044 5 40 JKBB O=[N+]([O-])c1ccc2nc(/C=C/c3cccc(/C=C/c4nc5ccc([N+](=O)[O-])cc5s4)c3)sc2c1 12542129 CKFPMSZCZKIMHQ-ZVSIBQGLSA-N 486.534 7.063 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 14277899 BZZMPHWXZZCEDA-UHFFFAOYSA-N 490.947 6.526 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)c(Cl)c2)cc1 19856335 RDURYTPYNXMRCO-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] 20458967 PJHPDIXDQDZSBQ-UHFFFAOYSA-N 452.532 5.233 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Oc2ccc(F)cc2)cc1 22140938 FHJYSXKQMPZNLT-UHFFFAOYSA-N 452.485 5.403 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 34931643 ZDJYLOKTBKZZJC-ODLFYWEKSA-N 457.870 5.415 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 59294316 WLOIMPOQACLXFS-UHFFFAOYSA-N 490.947 6.545 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205701715 KZINSUQHTQOBPJ-VXLYETTFSA-N 485.861 5.653 5 40 JKBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224229022 WJLYPZQEUHWMEQ-AREMUKBSSA-N 487.600 5.001 5 40 JKBB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224760375 FFSJDUMJACTHHH-DNQXCXABSA-N 488.594 6.220 5 40 JKBB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408730843 JINDGOBUQFBHEV-QHCPKHFHSA-N 499.589 5.115 5 40 JKBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CC[C@H](c2ccccc2)C1 409333660 IFOFEJAKFZOKHY-IBGZPJMESA-N 486.604 6.066 5 40 JKBB COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 3662494 OZLBBLLKSTVMOL-UHFFFAOYSA-N 476.470 5.554 5 40 JKBB COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3n2)cc1 6157075 JRCWJEJGCLNQPA-UHFFFAOYSA-N 496.548 6.382 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccccc1C 8989965 VOVPCPYVPHUYKJ-MTJSOVHGSA-N 492.915 5.879 5 40 JKBB CCC1=NN(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 9075426 CFXJCALTKUICOP-RUZDIDTESA-N 471.542 5.495 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc2ccccc2c1 9233165 SZANDLZXIGUWQM-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB Cn1/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)sc2ccccc21 12546678 UTPWLDDGDZTAGO-BYYHNAKLSA-N 486.597 5.348 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)o1 13382065 YBZMJDXETBGJCI-UHFFFAOYSA-N 491.503 6.821 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 22745031 CCSZEVPSFGKEEN-UHFFFAOYSA-N 487.339 6.234 5 40 JKBB O=[N+]([O-])c1ccc(C[N+]2(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CCCCCC2)cc1 226072239 WULCCOGOFVCLJX-HHHXNRCGSA-N 461.582 5.593 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1 408567229 QKOYTRACNAYTSK-RHLLLVCUSA-N 498.366 5.141 5 40 JKBB Cc1c(-c2ccc(/C=C(\Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)o2)cccc1[N+](=O)[O-] 408634064 OKAVIQIWAGJUKG-ODLFYWEKSA-N 482.905 5.820 5 40 JKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 2412573 BXTJYFHZNLMFRN-UHFFFAOYSA-N 466.372 5.945 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)NCCC34CC5CC(CC(C5)C3)C4)cc2)cc1 4126885 KJLFGPRGSRUXPM-UHFFFAOYSA-N 456.564 5.272 5 40 JKBB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 12678542 SQKTYSHUUMXKCM-QHCPKHFHSA-N 453.926 5.459 5 40 JKBB O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 13302246 JXHRNNWWSCSKSD-UHFFFAOYSA-N 478.468 5.553 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccccc2-c2csc(Nc3ccccc3Br)n2)cc1 33475789 IMCIQTNLOWUWHK-UHFFFAOYSA-N 482.359 6.803 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 106680500 JGUPBVISSHAFRG-HMAPJEAMSA-N 490.493 5.059 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 106702916 RVUNSQWTUYNPEX-UUYOSTAYSA-N 491.481 5.840 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F 224910601 TWNGNTRSHVDMRX-BJKOFHAPSA-N 474.517 5.874 5 40 JKBB CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565151 IBVSSWMHGPOJOX-DVKBMCPXSA-N 498.366 5.094 5 40 JKBB Cc1ccccc1N1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O 408757712 PCXWDNDBJYZYHB-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1 408786843 ONJRNTZGSCHBEQ-ZRELAVNMSA-N 455.923 5.670 5 40 JKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409156627 LELJYNVCGWTCGE-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1Cl 409182827 OXPZSVDJSRWJQT-WUXMJOGZSA-N 471.922 5.009 5 40 JKBB O=c1cc(Cl)c2cc(Oc3ccccc3)c3c(=O)cc(Cl)c4cc(Nc5ccccc5)c1c2c43 3098870 PQVQDWGFRIARJS-UHFFFAOYSA-N 484.338 7.585 5 40 JKBB Cc1cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2)c(C)n1CC(F)(F)F 3364085 BEODBVCODUIHKC-UHFFFAOYSA-N 488.491 5.889 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 3764461 AGYAQQKJANLDNB-XDHOZWIPSA-N 452.513 5.884 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 8449349 WKFVJEUYHNQGMM-WSCWJOSJSA-N 467.518 5.252 5 40 JKBB biogenic Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cc2ccccc2o1 8900936 OXQUWKRMPCZUSV-UHFFFAOYSA-N 481.464 6.414 5 40 JKBB CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 9703453 XWPKKFYVHATYBT-OXQOHEQNSA-N 496.593 5.129 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2cc([N+](=O)[O-])ccc21 12311401 UUHDWFIDIILQBW-UHFFFAOYSA-N 482.949 5.635 5 40 JKBB O=[N+]([O-])c1cc(Cl)cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1O 12600487 UUXOEKDMJLGXBP-UHFFFAOYSA-N 465.943 6.762 5 40 JKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)cccc2c1Cl 12843052 NJGJYOJRRPWFID-UHFFFAOYSA-N 461.927 5.009 5 40 JKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NCc1ccccc1Cl 13075054 VVIROSKCRUJGGF-UHFFFAOYSA-N 470.913 5.135 5 40 JKBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 16525615 ZOHSIESCFCQFNR-UHFFFAOYSA-N 486.867 6.534 5 40 JKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 16611483 WMMXFSVJARKOOK-HWUWQJTLSA-N 492.531 5.310 5 40 JKBB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C 16778357 YGWUHUGHLITNKM-UHFFFAOYSA-N 463.519 5.008 5 40 JKBB CCc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 36636103 BMQPNMDZRZVTKY-DENIHFKCSA-N 468.307 5.755 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408571315 OHWKMVAITBQCJC-RTFLAGNKSA-N 498.366 5.141 5 40 JKBB COc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408611064 PXLBUMXSPKYXSW-UHFFFAOYSA-N 488.294 5.987 5 40 JKBB COCCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409132107 OULJPCJBHOJGNT-HYARGMPZSA-N 464.499 5.010 5 40 JKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2420860 KZADZUCZMADFGA-SFHVURJKSA-N 486.579 6.382 5 40 JKBB Cc1nn(C(C)(C)C)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1Sc1ccccc1[N+](=O)[O-] 2718612 BMYFUAQTCWKYEM-UHFFFAOYSA-N 456.480 5.133 5 40 JKBB O=C(Nc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1)c1ccc([N+](=O)[O-])cc1 9354730 AYTZWBNCYCHLIU-UHFFFAOYSA-N 489.469 5.131 5 40 JKBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3c2ccc2ccccc32)cc1 12485564 ALODGYPKRHHYRY-UHFFFAOYSA-N 471.314 5.944 5 40 JKBB Cc1cc(C)c2nc3sc4c(SCC(=O)N5c6ccccc6C[C@H]5C)ncnc4c3cc2c1 13086127 QUIYOVPKFNGURB-MRXNPFEDSA-N 470.623 6.079 5 40 JKBB COc1cc(OC)c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1OC 95477965 NONMDMJKBWFZFL-UHFFFAOYSA-N 475.501 5.550 5 40 JKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223433532 YJDLXXSJXAJMPE-AMGIVPHBSA-N 487.600 5.001 5 40 JKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225670772 CIGOLKZJJOSZTQ-FOIQADDNSA-N 480.392 5.166 5 40 JKBB O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408563124 JCSBPNUZGRBDAO-LYBHJNIJSA-N 455.514 5.400 5 40 JKBB O=C(COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 408623388 SZGMGZTXBYPKNF-UHFFFAOYSA-N 464.655 5.310 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)S2)cc1 408775163 FIAOVRIZUDNQKP-VZIOXZNFSA-N 451.504 5.025 5 40 JKBB Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 869028 VZBDKKQIXNKKPP-UHFFFAOYSA-N 489.557 5.102 5 40 JKBB CC(C)(C)c1ccc(-n2c3nc(=O)n(-c4ccccc4C(F)(F)F)c(=O)c-3cc3ccccc32)cc1 1857717 WCJRXMPRWXOSMU-UHFFFAOYSA-N 489.497 5.958 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc(C)cc4)CCC[C@@H]3[C@@H]2c2ccc(C)cc2)n1 8455382 JUQKZCJFATZVTA-VGAOLJDLSA-N 483.572 5.865 5 40 JKBB CC[C@H]1CCCCN1CCCNc1cc2oc3cccc(C)c3[nH]c2c2c(=O)c3ccccc3c(=O)c12 8744537 CIIZMYVFZUJLLF-FQEVSTJZSA-N 495.623 6.316 5 40 JKBB COc1c2c(cc3c1[C@H](CC(=O)CC1CCCCCCCCCCC1)[N+](C)(C)CC3)OCO2 8767316 BCVCEVKORSHMCN-DEOSSOPVSA-N 458.663 6.368 5 40 JKBB biogenic C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9584827 IKEHWHXSMCKHJX-GFCCVEGCSA-N 484.588 5.433 5 40 JKBB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 16035556 QLBLSMBISXMNFM-UHFFFAOYSA-N 463.519 5.008 5 40 JKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 102788995 YRKGYKRICRKDDK-MUUNZHRXSA-N 499.567 7.366 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833926 WEVRNXGQZFCAOA-HZHRSRAPSA-N 476.510 5.813 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225053110 OGVSHSGEWHNHLC-FTJBHMTQSA-N 498.612 5.255 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408693699 CAQACGQGEFOOID-UHFFFAOYSA-N 454.273 5.402 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccccc3Br)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408823791 FDTPZMWBQILMSF-UHFFFAOYSA-N 494.370 6.709 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 409191419 GYICGSPUAFQRMD-RGVLZGJSSA-N 497.872 6.190 5 40 JKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 2420088 DUYATWHMWZUGQI-GFCCVEGCSA-N 485.897 6.235 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)cc1 6148310 PQTSRXQXXIREAK-UHFFFAOYSA-N 459.465 6.336 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 9972126 QHHZHMWFGUIIPD-NTCAYCPXSA-N 497.532 6.792 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c2c(Nc3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)[n+]([O-])c2c1 12374614 XPUFINHPGPTVKO-UHFFFAOYSA-N 460.233 5.131 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c4ccccc4cc4ccccc24)N3)C1 15945738 VLJOFPOFJPMNBW-AFMDSPMNSA-N 454.639 8.025 5 40 JKBB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)oc2c1 16348693 OVALKRCGHGQJGH-UHFFFAOYSA-N 470.529 6.200 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 16688631 IVLBQYCFLZJOLQ-UHFFFAOYSA-N 455.942 5.428 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)cc1Cl 21596102 GCZCEDDUDSUAAK-UHFFFAOYSA-N 498.347 7.485 5 40 JKBB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC 32115039 GYTTYDAVZBMVOD-UHFFFAOYSA-N 496.545 5.119 5 40 JKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223858243 PJJSSIAGBRAQDK-FQEVSTJZSA-N 480.392 5.168 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223918340 IBDVVYJPLGBIKJ-JWQCQUIFSA-N 485.569 5.493 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1 408770734 BPNAHRQMUWEWMN-FNUHDPNESA-N 455.923 5.670 5 40 JKBB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccccc1[N+](=O)[O-] 408969958 XTFWOVDIGVCIQH-WZUFQYTHSA-N 453.690 6.114 5 40 JKBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1cccc2ccccc12 409336613 TXJXNMUCCMOVNF-UHFFFAOYSA-N 482.572 6.842 5 40 JKBB C[C@@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12696508 KZQSVRBKQYMIDW-MRXNPFEDSA-N 476.562 6.127 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 20797360 FYGZNPJSOKWVKZ-QHCPKHFHSA-N 473.920 5.834 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@@H]2C(=O)N1c1ccc(F)cc1 102753798 CFQJURVDZRPFOM-AWCRTANDSA-N 488.518 6.183 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C 214098259 COGWGFSDBQLQCH-SRZZPIQSSA-N 468.918 6.362 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 224037165 QTALHFGZEVBEKP-RPWUZVMVSA-N 486.509 5.156 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F 224908407 OZCLKDRQCOTHOP-DNQXCXABSA-N 473.533 5.405 5 40 JKBB Cc1cc(Br)c(NC(=O)COc2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])cc2)cc1C 408544844 VOONOEUDFNNLGU-TWGQIWQCSA-N 486.322 5.458 5 40 JKBB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408604722 DWKDFNSHLGMICF-UHFFFAOYSA-N 470.806 6.819 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 409245877 AGXKQDBEFMGDKM-HMAPJEAMSA-N 462.552 6.291 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](C)CC 409353764 RCTAGHIZNSBBMD-IKMPRTQCSA-N 484.530 5.090 5 40 JKBB O=C1S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1c1ccc(Cl)cc1 409356768 HLFLFNBICJDAPN-BKUYFWCQSA-N 466.902 6.068 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1 853527 GTYRVNPQBSCFFY-UHFFFAOYSA-N 485.993 6.185 5 40 JKBB CCCCCCNC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 2215541 OJXQKYAFWKGKMG-UHFFFAOYSA-N 466.929 5.028 5 40 JKBB CC(C)(C)c1ccc(S(=O)(=O)/C(=C/Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[N+](=O)[O-])cc1 6088184 QWSIHJOWAUEGAC-GZTJUZNOSA-N 496.429 5.983 5 40 JKBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 6150794 WWGMUGIQQCODKL-UHFFFAOYSA-N 475.980 5.234 5 40 JKBB Cc1ccc2oc3cc(NCCN4CCCC[C@@H]4C)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 8997219 CTWOVWLCVDIBTG-SFHVURJKSA-N 467.569 5.536 5 40 JKBB O=C(N[C@H](Cc1ccccc1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1 9439822 OKAMPIDVDKZTNB-RUZDIDTESA-N 477.516 5.031 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)ccc1Cl 12659821 PRFXEBQNMXUHFI-UHFFFAOYSA-N 490.328 5.389 5 40 JKBB Cc1ccc(C)c(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)c1 13644226 AMUDOWMYXYCHGV-UHFFFAOYSA-N 491.523 6.589 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14278278 AXLNWGHDYMZAKO-UHFFFAOYSA-N 478.508 6.409 5 40 JKBB COc1ccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)c(OC)c1OC 79478749 JXPXJNMICHOYAL-UHFFFAOYSA-N 463.490 5.324 5 40 JKBB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S/C=C/c2ccc([N+](=O)[O-])o2)cc1Cl 96936391 YYVQWEQUJBIZPE-AODRXXHBSA-N 487.946 6.059 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1c[nH]c2ccccc12 408574103 USSCFRUKSTZYQP-GOSISDBHSA-N 475.759 7.116 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408613703 ZLQFFQDDKNSABA-UHFFFAOYSA-N 481.763 7.145 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409177091 AGBILVLXSHOBIR-VWLOTQADSA-N 480.904 5.443 5 40 JKBB CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2200188 ZNPGFCVNFQZNJI-QFIPXVFZSA-N 499.504 5.459 5 40 JKBB O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c2c(ccc3ccccc32)o1 3355398 XYAADFLESJUMTJ-UHFFFAOYSA-N 481.602 6.607 5 40 JKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 8836807 WSFZGFBXDNZLCK-LBPRGKRZSA-N 471.870 5.927 5 40 JKBB COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 12445982 MRGZFASGRKMTAN-FQEVSTJZSA-N 487.464 5.038 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 25023585 WSLALUCWQBIUQK-GOSISDBHSA-N 453.567 5.171 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1cc2c(cc1Cl)OCO2 215224575 ZWFMIVLDJAUUBQ-ZVBGSRNCSA-N 497.916 5.063 5 40 JKBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223316849 KADRWVQONTWITR-NRFANRHFSA-N 492.041 5.204 5 40 JKBB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1 408838905 JYLOEPOSCDFBHP-NTUHNPAUSA-N 463.696 5.570 5 40 JKBB Cc1c(C(=O)COc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)coc3c2)c2ccccc2n1C 1875696 GFNSFLMYYIIENK-UHFFFAOYSA-N 468.465 5.430 5 40 JKBB Cc1ccc(Sc2nc(Nc3cccc([N+](=O)[O-])c3)nc(Nc3cc(Cl)ccc3C)n2)cc1 2290263 LCHJWFLSJDPVNQ-UHFFFAOYSA-N 478.965 6.688 5 40 JKBB O=c1cc(CSc2ncnc3scc(-c4ccccc4)c23)c2c(ccc3ccccc32)o1 2637116 SYGDWDURFOOGDS-UHFFFAOYSA-N 452.560 6.910 5 40 JKBB CCc1ccc([C@@H]2CN3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8789808 WZWPSWFWXBLSCS-DWACAAAGSA-N 480.524 5.468 5 40 JKBB biogenic Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1C 9141312 ZEVZYRQZNMCLJJ-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB CCCCC(=O)Oc1cn(Cc2ccc(C)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9293068 ULFWFCYGLFHSRI-UHFFFAOYSA-N 468.601 6.632 5 40 JKBB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12 10187693 VYLZVNAEGLFING-UKTHLTGXSA-N 460.515 5.163 5 40 JKBB Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 13896686 YZZHGYSDEHWSSN-UHFFFAOYSA-N 478.524 5.099 5 40 JKBB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277922 VIGKZFGPHUGOSD-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22079309 IHEODICRIVWWPL-MRXNPFEDSA-N 476.499 5.845 5 40 JKBB COc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463626 UKMXERBGCPGKBB-UHFFFAOYSA-N 476.470 5.554 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224254600 XHDPJYUSXLJISX-RPWUZVMVSA-N 456.527 5.735 5 40 JKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccc(Cl)cc1 224679363 CRCADFWDPVVJEG-UHFFFAOYSA-N 456.951 6.500 5 40 JKBB O=[N+]([O-])c1ccc(N2N[C@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1 225351044 FAUXLPBYAURBON-HHHXNRCGSA-N 466.566 5.557 5 40 JKBB Cc1ccc(C[N+]2(C[C@@H](O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CCCCCC2)cc1 226070998 AKPNNDZUVMKFHV-HHHXNRCGSA-N 466.730 6.921 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408819396 QPZNTNUYGVOINE-NVMNQCDNSA-N 493.335 5.001 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2056732 BQRFSPRVVXSLOS-UHFFFAOYSA-N 454.398 5.717 5 40 JKBB CCCOC(=O)c1c(-c2ccc(CCC)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2110698 DCUABSCAQCFEJZ-UHFFFAOYSA-N 452.532 6.095 5 40 JKBB O=C(c1ccc2c(c1)nc(S)n1c3ccccc3nc21)N1CCC(Cc2ccccc2)CC1 2959547 STFIGXPIXZKNHW-UHFFFAOYSA-N 452.583 5.419 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 6143787 IYXHVQBKSBRKHR-UHFFFAOYSA-N 480.362 5.471 5 40 JKBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1 11691957 RHPNNPVEGKOKPX-UHFFFAOYSA-N 465.944 5.353 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2[N+](=O)[O-])CC1 13119642 LTTBAAYRMYHQAC-UHFFFAOYSA-N 474.565 5.068 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142608 AXWRFYIECSFEAN-UHFFFAOYSA-N 455.898 5.243 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154393 DNQNPTCESZJWDI-ZZXKWVIFSA-N 487.343 5.223 5 40 JKBB CC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@@H]3[C@@H]2c2ccccc2)nc1C 51330474 VWNTXEPDNSTILT-ZTPSAUFBSA-N 472.570 6.363 5 40 JKBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317325 YECMJLJDNJLIOE-UHFFFAOYSA-N 483.805 5.027 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 72230006 BKGQQHFIAWTQBC-XMMPIXPASA-N 465.937 5.573 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(F)cc1 408566319 FHOZQWZXIYTZKU-HXUWFJFHSA-N 454.885 5.957 5 40 JKBB Cc1cc(Br)ccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408612554 SLWXTQSZHBXNMW-UHFFFAOYSA-N 461.743 6.510 5 40 JKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408749844 JLKSTEFHPGWGJW-UHFFFAOYSA-N 492.494 5.206 5 40 JKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 409156415 SFGMCNRTSMSJGI-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409359764 XYXDIHHPPZTILD-UHFFFAOYSA-N 491.573 5.286 5 40 JKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c(C)c1 409374150 KGCOKCKMHHWVGG-CIAFOILYSA-N 491.525 5.455 5 40 JKBB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 10060352 MTWYGKOOGMYVIO-DHIUTWEWSA-N 489.919 5.230 5 40 JKBB Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 14272176 OCXAKCJCBUWXLP-RUDMXATFSA-N 468.296 6.670 5 40 JKBB CCOc1cc(/C=C/C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(Cl)c1OC 17717681 ROWYSOBVSFJTND-ZQNFCJTASA-N 473.869 5.023 5 40 JKBB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 26124197 YCNRPUVWOMZRRI-WYMLVPIESA-N 465.469 5.549 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1C 32116583 YWXQXLLVXNGVKI-UHFFFAOYSA-N 460.515 5.455 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1)Nc1ccccc1 44088219 CXOQVQJXIBMOFZ-UHFFFAOYSA-N 496.495 5.780 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408570324 KXPMJKPHCYXLTB-RHLLLVCUSA-N 498.366 5.141 5 40 JKBB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 409221399 PUERDHXKMQWJRC-ODLFYWEKSA-N 482.290 5.019 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1cccc2ccccc12 409351030 VMLRRUQKCQMQHP-ODLFYWEKSA-N 467.890 5.076 5 40 JKBB Cc1nn(-c2ccccc2)c(OC(=O)COc2ccccc2)c1Sc1ccccc1[N+](=O)[O-] 958985 RXHUXSMRANSSNV-UHFFFAOYSA-N 461.499 5.225 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 1868332 CKKGUGCBRXICMS-ZDUSSCGKSA-N 484.339 7.476 5 40 JKBB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 2195013 RSWXNAGRFYTXKA-GYCJOSAFSA-N 474.473 5.036 5 40 JKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccc(C(C)(C)C)cc3)nc21 2432852 JJXYHYMLHULWMC-UHFFFAOYSA-N 455.602 6.108 5 40 JKBB Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 8722278 PDCOXNWLFGVBIY-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 9425366 ATMHTTHRMLPBFV-WUXMJOGZSA-N 475.526 5.709 5 40 JKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 9636677 NVSRYIFVBUTHEE-KIHHCIJBSA-N 475.342 5.345 5 40 JKBB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 13117745 KYGNTWUEEZBUMG-UHFFFAOYSA-N 497.551 5.575 5 40 JKBB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 13134205 XUXICYIFHODQMH-UHFFFAOYSA-N 450.834 5.562 5 40 JKBB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 14270842 HTBXBZCOJPHQKB-UHFFFAOYSA-N 452.517 5.208 5 40 JKBB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 14272294 QJEOPGGQMYAUGT-UHFFFAOYSA-N 472.501 5.054 5 40 JKBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 16297898 YTYKHIWWDJFEMF-UHFFFAOYSA-N 497.454 5.114 5 40 JKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20356930 AYJIIOXURCCELN-UHFFFAOYSA-N 490.951 5.533 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cccc(-c4nc5ncccc5o4)c3)cc2[N+](=O)[O-])CC1 59294425 HMAWBXRQFTWYBT-UHFFFAOYSA-N 457.490 5.287 5 40 JKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225344041 RNQSOGQZPBVNGG-HHHXNRCGSA-N 487.600 5.002 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561723 KMSGRBSXWXLAEN-FLFQWRMESA-N 464.374 6.145 5 40 JKBB CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 408562878 SCMPOLGVBDMEGR-XDOYNYLZSA-N 460.353 5.211 5 40 JKBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1 408621733 PIEKBHILJCTKDB-UHFFFAOYSA-N 485.334 5.896 5 40 JKBB COc1ccc(CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)cc1[N+](=O)[O-] 2181393 SPNJEFPLORLUDZ-UHFFFAOYSA-N 497.374 5.906 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(=O)OC)C1 2729578 QBNFUIRPHGCBFI-ONOODXEBSA-N 456.564 5.636 5 40 JKBB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 9367851 LQCJINRTCBOYFQ-UHFFFAOYSA-N 466.363 6.009 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccccc1Br 9414205 RXNQYGJIJDSUPO-UHFFFAOYSA-N 480.274 5.608 5 40 JKBB Cc1ccc2nc(-c3ccc(CNC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)cc3)oc2c1 10372895 KMRZVRFJSWZRRK-UHFFFAOYSA-N 455.514 5.840 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3cccc(C)c3)C(=O)N=C2O)[C@H]1CCC 17015449 QTRGXRJXNDGICW-GJZUVCINSA-N 478.549 5.344 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1 91365430 PDUHZXZECHMGLL-UHFFFAOYSA-N 484.353 6.547 5 40 JKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccc([N+](=O)[O-])cc1 101004871 ZBHKQCSFTHXCMP-NRFANRHFSA-N 490.882 5.287 5 40 JKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(F)cc1 106690400 SZDZSYVUHGEJMR-ODLFYWEKSA-N 451.435 5.158 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1 224251502 KUFDBGXVEATMFB-RPBOFIJWSA-N 486.553 5.744 5 40 JKBB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225507380 AQVYNQZDGKHQPW-UHFFFAOYSA-N 465.594 5.690 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704011 IIANEGIRHUQSJG-HSZRJFAPSA-N 467.934 5.275 5 40 JKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc([N+](=O)[O-])o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409368360 ZOLTUFPOOPLJLE-UHFFFAOYSA-N 471.473 5.176 5 40 JKBB COc1ccc(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)cc1[N+](=O)[O-] 2205483 KTZYUHAKOCXNPA-UHFFFAOYSA-N 477.523 5.306 5 40 JKBB CCc1cc(Br)c(S[C@H](CC(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 3127878 ACLDGTMVXJXACO-HXUWFJFHSA-N 476.417 7.088 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCN1c2ccccc2Sc2ccccc21 3221053 RBOPBEUJOQYDFL-INIZCTEOSA-N 493.541 5.167 5 40 JKBB CCOc1cccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1 11614367 TTWRIJKHQORZKL-HSZRJFAPSA-N 452.466 5.391 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1 13811085 XRNUNXKWWYCCAH-VABKMULXSA-N 495.894 5.055 5 40 JKBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 14271012 YDLUPPWBYHLBIE-UHFFFAOYSA-N 466.302 5.297 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Br)cc1Br 14729655 CTRVPPJAUSQMHJ-UHFFFAOYSA-N 486.163 5.318 5 40 JKBB COc1cc([C@H]2CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc(OC)c1OC 16943647 PGUUIZOOXWWHFT-HSZRJFAPSA-N 480.542 5.391 5 40 JKBB O=C(CSCc1ccc(Cl)s1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 23227597 PULAUDOWDSCCTC-UHFFFAOYSA-N 482.992 5.014 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1 224887390 BALQOEMNPSHEND-PKTZIBPZSA-N 492.944 5.786 5 40 JKBB CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(=O)(=O)c1ccc(SC)cc1 408700816 MLIWXJSMOAPHLL-UHFFFAOYSA-N 485.587 5.093 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCOc1ccccc1 409055297 YJORSCCDPCBRGP-KQWNVCNZSA-N 476.510 5.289 5 40 JKBB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 409246210 GKSVVIHHGYNWQN-XDHOZWIPSA-N 476.938 5.672 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 409332479 FTECICAKKMGCQL-IRXDYDNUSA-N 483.571 5.185 5 40 JKBB COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)c(C)nc32)c1 2315586 CVZWKRVXINVOOH-QGZVFWFLSA-N 461.525 5.210 5 40 JKBB CC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 3129930 KQXREYWRKNCCOC-UHFFFAOYSA-N 470.481 7.414 5 40 JKBB biogenic Cc1cc(C(=O)N(c2ccc(SC(F)F)cc2)c2nc3ccccc3s2)ccc1[N+](=O)[O-] 3353821 ZFVCNVOGHSFELR-UHFFFAOYSA-N 471.510 6.806 5 40 JKBB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)sc1C 8827412 QRIVLAPSVABSSS-GOSISDBHSA-N 467.890 5.178 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1 9233108 LBTFJFZMEXFJKT-OEAKJJBVSA-N 476.510 5.419 5 40 JKBB COc1cc(CC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cc(OC)c1OC 13095397 UZROMBTXSRUQRN-UHFFFAOYSA-N 455.514 5.156 5 40 JKBB O=c1c2c3c(sc2n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(Cl)cc1)CCCCC3 20152590 FWOKQXPWINQWHR-UHFFFAOYSA-N 481.961 5.093 5 40 JKBB COc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c([N+](=O)[O-])c1 24522187 QXMLGPHFDYBDQV-UHFFFAOYSA-N 480.432 6.174 5 40 JKBB Cc1c(O)ccc2c1oc1c(-c3cc4cccc5c4n(c3=O)CC5)c3cnn(C(C)C)c3nc12 96115688 VKHOFYUVWRVRAL-UHFFFAOYSA-N 450.498 5.464 5 40 JKBB biogenic O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1Cc1ccccc1 96297415 BRPVDHVWYDPSQO-NGDRWEMDSA-N 484.555 6.040 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102453403 AJBNXOLLKFBPFF-AREMUKBSSA-N 498.608 7.258 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C(C)(C)C 224515878 LJNPTWJIKFJZPF-UHFFFAOYSA-N 462.546 6.431 5 40 JKBB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408608000 LMCYPUNTAQWQNF-UHFFFAOYSA-N 467.736 6.755 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 408781849 FHRLMGWRUVULCU-PRLWALMFSA-N 498.608 6.068 5 40 JKBB Cc1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 408986870 PSPXBIIJFPGPKH-UHFFFAOYSA-N 475.551 5.914 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 408995520 JURVSWICRFENIT-XNFLFYSQSA-N 482.967 7.298 5 40 JKBB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409121105 VZFSBTUKNXSKDC-UHFFFAOYSA-N 456.498 6.587 5 40 JKBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 409172212 DDMCSYLBMQIWNU-WLRTZDKTSA-N 471.922 5.009 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccc5ccccc5c4)cs3)CC2)c(Cl)c1 8815683 PIIMCOSXCVARAG-UHFFFAOYSA-N 450.951 5.852 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1[N+](=O)[O-] 8974209 IWXBWJXDGISCRY-CQSZACIVSA-N 450.516 5.728 5 40 JKBB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 9138375 MNTLLOWOOFRZBH-UHFFFAOYSA-N 494.356 5.369 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9232487 YJKCRIGRCHICGK-LPYMAVHISA-N 464.474 5.549 5 40 JKBB COc1cc(NC(=O)Cn2c(SCc3ccccc3)nc3ccccc32)c(C)cc1[N+](=O)[O-] 9255102 YOWDWLVBTJRCBL-UHFFFAOYSA-N 462.531 5.193 5 40 JKBB Cc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C[C@]2(C)c1ccccc1 13940916 YUBXAJAQZXPZOM-AREMUKBSSA-N 459.502 5.947 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 14272722 OKFMKQCKTNUZNU-UHFFFAOYSA-N 467.485 5.712 5 40 JKBB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c2)N3)C1 15947495 QYFSIEUQTKLWDM-ZSEKCTLFSA-N 463.515 5.429 5 40 JKBB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16807707 HPFPYEBEHHBDIW-UHFFFAOYSA-N 477.542 5.467 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cccs1 22076351 FEMCDILVPYTKOS-UHFFFAOYSA-N 461.971 5.489 5 40 JKBB O=C1[C@H]2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(F)cc1 102741971 KHIKRHXUAYKXPT-ISJGIBHGSA-N 499.454 5.045 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl 215146760 LCASPMJWEMQAGQ-RGVLZGJSSA-N 471.897 5.474 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 224278568 COODTFVAJXJTDQ-JWQCQUIFSA-N 469.570 5.574 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 227547851 OKEUZTATKBVDKH-BIQRORRISA-N 494.522 5.774 5 40 JKBB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 408642329 OAVVGNBNJBEJFD-SFHVURJKSA-N 473.529 5.676 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 408728605 PQNREIMMAYKYKB-LKSLQULUSA-N 462.505 5.327 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)cc1 408786728 VPMXSRNKIYQADX-LWUPDDLQSA-N 461.543 5.336 5 40 JKBB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409244692 HHQFPKTYWPEVNL-WOJGMQOQSA-N 497.356 5.553 5 40 JKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 409340288 UBUMAJCSBXUJKP-ZDLGFXPLSA-N 459.911 5.047 5 40 JKBB C[C@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 2348297 WRZYCZIRNPWLHA-OAHLLOKOSA-N 486.362 6.200 5 40 JKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 6474743 PBHKAEYJXCYKOL-UHFFFAOYSA-N 499.474 5.592 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nc2c1 9190344 NLWQEWKUJIKBGT-UHFFFAOYSA-N 477.929 7.140 5 40 JKBB COc1cc(Br)c(CC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1OC 10214749 USKFSPNAZOIZJV-UHFFFAOYSA-N 483.314 5.012 5 40 JKBB CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1[N+](=O)[O-] 12633701 FGKMGHOJHWPQOV-XUMWYHAOSA-N 452.576 5.492 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 14271072 NNEFGGQLPNGFIT-UHFFFAOYSA-N 450.303 5.597 5 40 JKBB COc1ccc(-c2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 32115772 VGCXNEKKODORCW-UHFFFAOYSA-N 491.525 5.663 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc(OC)c1OC 95477953 CZTXLTWKSKLMTH-UHFFFAOYSA-N 475.501 5.550 5 40 JKBB CCc1ccccc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409016893 AVNDBNJTNOYNCU-UHFFFAOYSA-N 473.532 7.292 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 409177241 FJHZSZORAUPLAR-UHFFFAOYSA-N 494.459 5.545 5 40 JKBB COc1ccc2nc3sc4c(SCC(=O)Nc5ccc(N(C)C)cc5)ncnc4c3cc2c1 1327825 FOHUSGPJVZQJSX-UHFFFAOYSA-N 475.599 5.198 5 40 JKBB CCc1nc2c(c(=O)n1[C@@H](C)c1ccccc1)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2240436 XSMLHLKIBAIOOF-FQEVSTJZSA-N 473.580 6.072 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1ccc2c(c1)OCCO2)c1ccccc1 3297480 ZDBJYADRBXQBPI-NRFANRHFSA-N 456.907 5.492 5 40 JKBB CCc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 12651195 HMYIVXXSOYXROK-UHFFFAOYSA-N 472.501 5.054 5 40 JKBB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 13058617 AZFPGVXTWWRGIA-WOJBJXKFSA-N 499.563 5.472 5 40 JKBB Cc1nc2ccccn2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)c2cccc([N+](=O)[O-])c2)s1 13138291 SAGOPGIORJXYLN-UHFFFAOYSA-N 485.481 5.481 5 40 JKBB Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cccc1[N+](=O)[O-] 14273967 FRYRKACSFLMIHQ-UHFFFAOYSA-N 488.569 5.639 5 40 JKBB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14276022 VBPXWBWUEQFARY-UHFFFAOYSA-N 480.727 5.398 5 40 JKBB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C)c(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16807645 RSRLMIWKLZBEOH-UHFFFAOYSA-N 491.569 5.776 5 40 JKBB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)sc2c1 32118740 GFXIBAROOVOOHR-UHFFFAOYSA-N 458.565 5.073 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 224879287 RCKBMUYYZRGYHO-XZOQPEGZSA-N 491.960 5.317 5 40 JKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225670800 CIGOLKZJJOSZTQ-MGPUTAFESA-N 480.392 5.166 5 40 JKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561268 HJAGOUWTDGJJBB-ATJXCDBQSA-N 495.344 5.663 5 40 JKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1 408689429 YDJDHPRCBWLHEI-JOCHJYFZSA-N 478.353 5.998 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Cl 409240192 OYVSROVVBBVMPY-YBFXNURJSA-N 483.889 5.183 5 40 JKBB CC[C@@]1(C)Cc2c(sc3nc(SC)n4c(SCc5ccc([N+](=O)[O-])cc5)nnc4c23)CO1 1842653 KVFYHPUSSLCXLQ-NRFANRHFSA-N 487.632 5.503 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2212291 BXWMSJNXNCNGMU-UHFFFAOYSA-N 487.991 6.013 5 40 JKBB C[C@H](c1ccccc1)n1c(-c2ccc(C(C)(C)C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2330280 YCULRRMPKGELCR-LJQANCHMSA-N 463.581 5.822 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 9057248 LBYINOQZSAXNKO-AGHRXRTDSA-N 471.944 6.685 5 40 JKBB Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 13130396 ORPTYXKQKDDBOU-KRWDZBQOSA-N 467.566 5.332 5 40 JKBB CCCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 13557318 GMKANNCTRKDARJ-DEOSSOPVSA-N 466.493 5.781 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-] 21124370 UFRXMFQCIADRFH-UHFFFAOYSA-N 452.206 5.331 5 40 JKBB CC1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2[N+](=O)[O-])CC1 72229235 MZXASMGGTCVLRM-UHFFFAOYSA-N 452.736 5.499 5 40 JKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(CSc2ccc(Cl)cc2)cc1 89787940 MAQLVONHILWUNO-UHFFFAOYSA-N 471.918 5.764 5 40 JKBB O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Br)cc1 106724881 HHDIMQSSLDOIAB-ODLFYWEKSA-N 485.315 5.854 5 40 JKBB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780041 YDTBNWQNCIHLDZ-BJKOFHAPSA-N 487.610 5.657 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1)Sc1nc2ccccc2o1 408634079 ORMNVAXLKQPQMX-WSVATBPTSA-N 477.281 6.521 5 40 JKBB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408749134 DRZUJCGENJFHHZ-IAGOWNOFSA-N 471.560 5.326 5 40 JKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 408809969 OPRTWGSIURLOFI-UHFFFAOYSA-N 450.496 5.243 5 40 JKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 409180483 UFOKWZNDXIGMQB-DEOSSOPVSA-N 466.877 5.134 5 40 JKBB CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2200190 ZNPGFCVNFQZNJI-JOCHJYFZSA-N 499.504 5.459 5 40 JKBB Cc1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3092878 LILMUVDJKXIILN-UHFFFAOYSA-N 460.273 5.965 5 40 JKBB CCCc1nc2sc3c(ncn4c(SCc5ccc(Cl)cc5)nnc34)c2c2c1CCCC2 9461007 HBMLILOUDXIJJB-UHFFFAOYSA-N 480.062 6.664 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 13134060 MFWWICBCDMOQEH-FSNCLGKMSA-N 480.590 5.421 5 40 JKBB COc1ccc(-c2nsc3c(S[C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C)ncnc23)cc1 13510947 KBCBBLNRBUYWNW-ZDUSSCGKSA-N 481.559 5.098 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc3ccccc23)cc1/C=C\c1cccc2ccccc12 16926353 RGHATJSZJXJOTP-JRDMOELTSA-N 472.500 8.150 5 40 JKBB O=C(Nc1ccccc1Cl)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 20794256 ONTCJUJIYOWDPC-UHFFFAOYSA-N 456.285 5.562 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595734 KERUOQOTOGCIGB-UHFFFAOYSA-N 485.308 6.572 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H](C)n5nc(C(F)(F)F)cc5C5CC5)nc34)c12 22751682 WVIXCGIFDHYYNQ-VIFPVBQESA-N 493.465 5.835 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223908627 PYRZFHBRVSGRRM-RPBOFIJWSA-N 484.585 5.024 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408556191 IFOFBAHCYWYAOT-UHFFFAOYSA-N 469.925 5.585 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408755156 BTHDAVNSJOIPSM-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB CCOc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 409102409 SRBOWQFBMBBKLY-UHFFFAOYSA-N 486.475 6.411 5 40 JKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1cccc(Br)c1 409163254 OKTBDBVCASWHMU-OEAKJJBVSA-N 474.379 6.992 5 40 JKBB CSc1ccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12595345 GEBKZTMLLKGGRQ-UHFFFAOYSA-N 467.513 5.211 5 40 JKBB Cc1noc(C[C@H](CC(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc2)c1[N+](=O)[O-] 19872783 AYTZDZWVSMANBQ-QHCPKHFHSA-N 456.498 6.070 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 22535823 HUGVJODTELGCOQ-UHFFFAOYSA-N 453.907 6.176 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1I 57315717 DSVJREIUHQFVPB-ZRDIBKRKSA-N 460.227 5.111 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc(OC)c1O 95473654 RFCWHVZJSMVQEP-UHFFFAOYSA-N 461.474 5.247 5 40 JKBB CCCCCOc1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100046001 NMEJUVHIMRDQCW-CIAFOILYSA-N 475.457 6.550 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(OC)cc1 102500000 GDRGSFMPKPNDGM-WRONEBCDSA-N 497.551 6.564 5 40 JKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)O)n[nH]1 408632886 UQZPVIBFKJMHAF-UNOMPAQXSA-N 497.920 5.050 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O 408646023 VJAJXSKYXSUIRP-GOSISDBHSA-N 475.501 5.004 5 40 JKBB O=C(O)c1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1 408997678 SIPNDCXPYBYJTM-UHFFFAOYSA-N 487.855 5.644 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 409054510 AWUSAFSUIWIINL-UHFFFAOYSA-N 485.949 5.458 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 409150091 ABLSOXYJYMHHJF-UNOMPAQXSA-N 484.331 5.385 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2nc3ccccc3s2)cc1Br 409259128 WTEAXPWLQARIMB-UHFFFAOYSA-N 495.276 7.445 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc(Nc3ccc(OCc4ccccc4Cl)cc3)c3ccccc3n2)cc1 1774791 LEKWFJTXGMPRTH-UHFFFAOYSA-N 482.927 7.181 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1Cl 2249733 DWXZCIIXJYHNCA-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB CCOC(=O)c1c(C(C)(C)C)oc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)cc12 2319771 NLOBSTZNQTVIQB-UHFFFAOYSA-N 476.323 6.157 5 40 JKBB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2621911 KBJCQVSKWIBGHI-NSHDSACASA-N 482.572 5.095 5 40 JKBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1cccc(C)c1)CC2 2980317 KLONZIIKKNBOLR-QHCPKHFHSA-N 477.517 5.131 5 40 JKBB Cc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3cc(Br)cc(C)c3n2)cc1 9371785 QNKNRXHAYAKWBO-UHFFFAOYSA-N 476.330 6.442 5 40 JKBB COc1cccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2cccc(Br)c2)c1 13894525 QOLZMTLNZBHRCO-RWEWTDSWSA-N 494.301 5.597 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 16284398 QAANQZNWPWEHKD-UHFFFAOYSA-N 457.877 5.696 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1[N+](=O)[O-] 21124586 DBUAYGSDUVIDMW-HWKANZROSA-N 478.244 5.730 5 40 JKBB CCCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257604 DLUQGXTYTATXOK-UHFFFAOYSA-N 479.320 5.078 5 40 JKBB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 32597713 ZRYQTJAWONUMGQ-VLOXRPPESA-N 457.338 6.721 5 40 JKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] 106701842 VNBRYTSUXGYSOC-OYKKKHCWSA-N 490.537 5.727 5 40 JKBB CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 408564494 YVTJQHVBGGOMJK-LNVKXUELSA-N 474.380 5.601 5 40 JKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409100178 QJHGIPGMCGIJOE-NVMNQCDNSA-N 474.822 6.339 5 40 JKBB Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409180540 WOGYLFGOQUAUAY-XMMPIXPASA-N 476.872 5.993 5 40 JKBB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 8959986 DOOVKPBELOJPGG-UHFFFAOYSA-N 459.930 5.298 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12)c1cc(Cl)ccc1[N+](=O)[O-] 9518518 GXJVQKRKFDSBLC-UHFFFAOYSA-N 493.859 5.270 5 40 JKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1oc2ccc(OC)cc2c1C 14068370 CGNLFXYHEDOZAE-UHFFFAOYSA-N 480.498 5.816 5 40 JKBB C[C@H]1[C@H](C)CCC[C@H]1n1c(=O)c2ccc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)c(=O)c4ccc(c1=O)c2c34 20569786 AASLOMJBKLCZLF-GYDDAVKMSA-N 486.612 5.060 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)ccc3Cl)cc2[N+](=O)[O-])CC1 59294021 DLTZPAFRZKMLKU-UHFFFAOYSA-N 489.963 6.280 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F 224910640 TWNGNTRSHVDMRX-DNQXCXABSA-N 474.517 5.874 5 40 JKBB COc1cccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1 409118342 PDYXFYOVZZWALR-NDEPHWFRSA-N 479.536 5.965 5 40 JKBB CCCOc1cc2nc3c4cc(Br)ccc4n(CCC(C)C)c3nc2cc1OCCC 1818707 DPJPGGCIMRFNNE-UHFFFAOYSA-N 484.438 7.124 5 40 JKBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nnc(CC(C)C)s1)C3=O 1876598 WWYVWJQSSJBKNE-OAQYLSRUSA-N 490.541 5.118 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccccc1Cl)N1C(=N2)C(O)=Nc2ccccc21 3309897 CRHAHMGIEIXOSH-QFIPXVFZSA-N 484.903 5.984 5 40 JKBB CCOc1ccc(-c2nc(NC(=O)CC)c3c(=O)oc4c(Cl)cc(Cl)cc4c3n2)cc1 15022453 XNBUVRAZMDEIMS-UHFFFAOYSA-N 458.301 5.457 5 40 JKBB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 17200832 ZNMXUGCZGKRMCQ-UHFFFAOYSA-N 488.504 5.194 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3ncnc4scc(-c5ccc(F)cc5)c34)o2)cc1 21120431 DGIGMWNZOIFOOY-UHFFFAOYSA-N 465.491 5.748 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H](C)n5nc(C(F)(F)F)cc5C)nc34)c12 22578977 UHNVYCAXRKQKON-SECBINFHSA-N 467.427 5.266 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1 223406719 ITUGWKCLKDPDGG-ZEQRLZLVSA-N 456.527 5.423 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1 408565319 BQTUASPDLXWMBE-RUZDIDTESA-N 490.585 5.582 5 40 JKBB C[C@H](NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 409115267 IFEQAJFMZDIWCS-FCIOZCPLSA-N 491.547 6.265 5 40 JKBB O=C1N/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 409194044 KQAPNOQINWFNSV-LDADJPATSA-N 483.402 5.499 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@@H]([C@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 1578751 ONCGYVZSXREYSS-BJKOFHAPSA-N 455.986 5.513 5 40 JKBB C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 1666686 KMLZVZXTJRRFSZ-DDAUYOFQSA-N 482.282 7.118 5 40 JKBB in-vitro CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2094122 UMVZGBBLXIXTBT-HSZRJFAPSA-N 489.524 5.264 5 40 JKBB biogenic O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1c1ccc(Br)cc1 2747621 MOUVRLVCBMSELA-HSZRJFAPSA-N 490.313 6.388 5 40 JKBB CCCC[C@H](Sc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)OCC 2969116 MSBLHGSEBLFMDG-IBGZPJMESA-N 465.535 5.067 5 40 JKBB O=c1/c(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2Cl)sc2nc3ccccc3n12 6446977 DAOFEKDLLOAJPL-FBHDLOMBSA-N 498.347 5.251 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 8768563 UVOIYDICFROMMT-UHFFFAOYSA-N 452.532 5.031 5 40 JKBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)Nc1nc2ccccc2s1 8792261 FHTOJZHCHPTVJF-HNNXBMFYSA-N 490.544 5.608 5 40 JKBB biogenic COc1ccccc1[C@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CCC(=O)N1c1ccc(C)cc1 12925841 YWMBFDMJCZFNFD-BVZFJXPGSA-N 495.482 5.313 5 40 JKBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139626 VIBRWZVOAUQEJG-UHFFFAOYSA-N 463.298 6.121 5 40 JKBB O=[N+]([O-])c1nc(SC(c2ccccc2)c2ccccc2)n(C(c2ccccc2)c2ccccc2)n1 95116167 TZSMQYHFOHRGBB-UHFFFAOYSA-N 478.577 6.706 5 40 JKBB O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1 408977749 XJBWKXDKOMIIBL-HXUWFJFHSA-N 455.521 5.509 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 409181329 BHQQXHAIUGIANZ-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([N+](=O)[O-])cc1)C(=O)C2 504245275 QICGSIQQNLMAOI-VWLOTQADSA-N 466.921 5.723 5 40 JKBB COc1ccccc1N(C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3333554 LYHKSYVQDDLSSX-UHFFFAOYSA-N 499.470 6.724 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 3669542 OFAIJVGVJMJPQQ-UHFFFAOYSA-N 465.556 6.066 5 40 JKBB O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1nc2ccccc2c2ccccc12 9224219 RUDUUUHTCBZXFS-UHFFFAOYSA-N 460.942 5.729 5 40 JKBB Cc1ccc(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc1[N+](=O)[O-] 9368362 PYZVAQFYOJBZNY-UHFFFAOYSA-N 454.455 5.318 5 40 JKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)cc1 13644201 MRJQOGOTDCNTJP-UHFFFAOYSA-N 477.496 6.281 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 14274986 PVPZVTVQTGNNMT-QPJJXVBHSA-N 476.341 5.996 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 14413324 NXCBSXQZDRGTHN-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB CCC1(CC)O[C@@H](c2ccc([N+](=O)[O-])o2)Nc2c(Br)cc(Br)cc21 34133523 AKQFRAWGLXXBLQ-HNNXBMFYSA-N 460.122 5.869 5 40 JKBB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)sc3c2)cc1 59474821 SQBWOZRVACXTCD-UHFFFAOYSA-N 478.555 5.496 5 40 JKBB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc([N+](=O)[O-])c4)C3=C(O)C2)cc1OC 101124406 GAQHEKKVQACGCE-MYUZEXMDSA-N 471.513 6.241 5 40 JKBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 224581056 ARGKCSMDZUYZMR-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cccc(Br)c1 409170485 UYMZJXPOMMORKU-YBFXNURJSA-N 485.315 5.854 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 409174846 VZJKRILYPQNWRY-UHFFFAOYSA-N 491.503 6.597 5 40 JKBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409202577 UQUBIPKQGWQUSJ-UHFFFAOYSA-N 468.937 5.512 5 40 JKBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 409337832 XEVNKXMLUQSVDO-UHFFFAOYSA-N 455.612 5.517 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1nc(-c2ccc(Cl)cc2)c2ncc(C(F)(F)F)cc21 3134931 DKXABHCNFIPMIG-UHFFFAOYSA-N 486.759 6.687 5 40 JKBB O=C(OCc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3279093 IPVURCZFPOOMOI-UHFFFAOYSA-N 463.795 5.855 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 4786437 NVKJGHQDANITLN-DEOSSOPVSA-N 453.502 5.489 5 40 JKBB Cc1cccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 6442584 TXYHUUWBENNRGU-UHFFFAOYSA-N 488.573 5.135 5 40 JKBB Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833016 LXIODTMTJMAMAL-UHFFFAOYSA-N 491.411 5.091 5 40 JKBB O=[N+]([O-])c1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c(Br)c1 9086862 YXTYJLUEFAMJEO-UHFFFAOYSA-N 483.258 7.075 5 40 JKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 13946343 FLBUOFVMEUGVQW-UHFFFAOYSA-N 474.860 6.272 5 40 JKBB O=C(O)c1cc(-c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)nc2ccc3ccccc3c12 16526070 JQZQXLCBTPGSOW-UHFFFAOYSA-N 496.488 7.775 5 40 JKBB O=[N+]([O-])c1ccc(-n2cc(-c3ccccc3)nc/c2=N\N(Cc2ccccc2)c2ccccc2)cc1 32220673 SDKUZVDMXWMLJN-OWWNRXNESA-N 473.536 5.970 5 40 JKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cn1nc(-c2ccc3c(c2)OCO3)n(-c2ccccc2)c1=S 62275148 PASXSDMDCAHPQR-KRWDZBQOSA-N 489.557 5.358 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 106688483 JQGJJQRUUGSFHZ-GRSHGNNSSA-N 475.309 6.398 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214353019 YCJYFPJBKLCQPW-FSJBWODESA-N 494.500 5.558 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccs3)cc2)cc1 224760602 VSQBFGHTARQQHE-PKTZIBPZSA-N 490.635 6.380 5 40 JKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224914335 XEKKVNCJPTZESM-HNNXBMFYSA-N 498.432 5.078 5 40 JKBB CCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409120963 XJDOKPWSBLTKDS-UHFFFAOYSA-N 485.378 6.564 5 40 JKBB CCCCOc1cc2nc3c4cc(Br)ccc4n(CCC)c3nc2cc1OCCCC 1834621 BXUCHSJFHIYQLF-UHFFFAOYSA-N 484.438 7.268 5 40 JKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 2147633 RYADRDRTMGRZKZ-UHFFFAOYSA-N 469.534 5.254 5 40 JKBB biogenic O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)c1)OCOC2 3329997 FYLMOTCHOVYMAC-UHFFFAOYSA-N 458.499 5.273 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 8586724 GSULGEVEOFUZEE-UHFFFAOYSA-N 487.537 5.243 5 40 JKBB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 8590652 GLCUXVPWDQZJNC-UHFFFAOYSA-N 486.528 5.363 5 40 JKBB Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])c(Cl)cc12 9790544 ULJZJVCRVXAZJN-UHFFFAOYSA-N 492.937 5.020 5 40 JKBB Cc1cc(C)c(C(=O)c2sc3nc4c(c(-c5ccc([N+](=O)[O-])cc5)c3c2N)CCC4)cc1C 9934947 ZGMWOKPEKGBXHR-UHFFFAOYSA-N 457.555 6.099 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 14274575 SHZXETMAIWNVKI-XBXARRHUSA-N 496.759 6.341 5 40 JKBB Cc1ccc(N(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2nc3ccccc3s2)cc1F 14729743 KZZMKYXJYULGQZ-UHFFFAOYSA-N 493.563 6.577 5 40 JKBB Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 15276555 MSSNTQSYUNPUPX-KOEQRZSOSA-N 499.548 6.057 5 40 JKBB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2s1 57313315 MZBCCQMQIVLWKQ-UHFFFAOYSA-N 481.578 5.432 5 40 JKBB CC1(C)[C@]2(c3ccccc3)[C@H]3C[C@H](Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H]3[C@@]12c1ccccc1 104280343 PKVJOCRCDBBKCX-YYEGETHDSA-N 456.498 5.816 5 40 JKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c1 408996564 QAYIIPVDFDKZIU-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1ccccc1[N+](=O)[O-] 409015993 QCJRBJXSPZHBFD-UHFFFAOYSA-N 483.333 5.027 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)o2)c([N+](=O)[O-])cc1C 409171718 FUISTOHOUCPSQH-UUYOSTAYSA-N 491.525 5.455 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccccc3Cl)nc2N1 940784 MOXRJYZGXKLRMF-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Br)cc1 2259631 PYDJCDWOINTVJU-UHFFFAOYSA-N 468.332 5.349 5 40 JKBB O=C(Nc1cccc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c12)c1ccc([N+](=O)[O-])cc1 2294290 NCVMEEVEHUYCCZ-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 3144062 LVFHDAFUCQQBNI-UHFFFAOYSA-N 487.493 6.699 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccccc1 9030600 SDDDXWHHIPRQES-UHFFFAOYSA-N 476.510 5.256 5 40 JKBB O=C(NCCn1cc(SCc2ccc(Cl)cc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9391904 PYBFLZDKXYXNML-UHFFFAOYSA-N 465.962 5.925 5 40 JKBB COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1Cl 14278790 PPQPFBLRBHDNIJ-UHFFFAOYSA-N 491.887 6.021 5 40 JKBB Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@@H](Sc2ccc([N+](=O)[O-])cc2)CS1 16779176 UOQVQXFGBAILGX-AZUAARDMSA-N 481.624 5.839 5 40 JKBB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 25392782 SZWBSSNWJIUJDQ-UHFFFAOYSA-N 461.562 5.152 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 409182724 OLGVCADBBDBQQT-GDLZYMKVSA-N 488.499 6.591 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2cccc(Br)c2)nc2ccccc12 2738987 SFMUWJSNCJPOIV-UHFFFAOYSA-N 482.721 6.478 5 40 JKBB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 8832275 KKUXZJVKRFPSMK-UHFFFAOYSA-N 464.497 5.034 5 40 JKBB O=C(Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)c1ccc([N+](=O)[O-])o1 9354801 CCUGLWFZOIPMIB-UHFFFAOYSA-N 469.884 6.976 5 40 JKBB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 9989020 ZZCGIBYPYBGSNG-UHFFFAOYSA-N 497.939 5.425 5 40 JKBB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 10060351 MTWYGKOOGMYVIO-PKTZIBPZSA-N 489.919 5.230 5 40 JKBB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 10060381 RKYVVSWTFBZVLV-GOTSBHOMSA-N 489.919 5.230 5 40 JKBB COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060443 FXRGSFZDQVOLIL-YADHBBJMSA-N 489.919 5.230 5 40 JKBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1[N+](=O)[O-] 13602424 WNLHXGOGRDUPDI-UHFFFAOYSA-N 450.432 5.046 5 40 JKBB COc1ccc(Nc2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc2)cc1 17593411 TYUSDOCNONWUDZ-UHFFFAOYSA-N 471.517 5.461 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22757644 PDHIXABWHGBIKR-UHFFFAOYSA-N 497.338 6.562 5 40 JKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 33795691 VCGBKPDOIBNASE-FPLPWBNLSA-N 479.714 6.065 5 40 JKBB O=C(N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F 102641579 PCTFTRIXCXTJKQ-IQMFZBJNSA-N 497.429 6.300 5 40 JKBB O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 138524501 HRRDTPYGCKINRA-FKCWEYQYSA-N 491.503 5.296 5 40 JKBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224552657 KDOHOVVJRCRNMM-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NC1CCCCC1 224679400 PEPZONNEAYRSPI-HXUWFJFHSA-N 483.634 5.003 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 224879326 RCKBMUYYZRGYHO-GOTSBHOMSA-N 491.960 5.317 5 40 JKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562453 PQVANFHCVPHYTQ-DAFNUICNSA-N 498.819 6.799 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 408569143 IZAVGAGAOMJLCI-DEOSSOPVSA-N 495.004 6.227 5 40 JKBB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 408814880 SLYODPAWESYEGL-IVTWHQKDSA-N 488.589 6.909 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1cccc(Br)c1 409170094 TYHNMCWONBXCHT-NVNXTCNLSA-N 453.701 5.247 5 40 JKBB CCC(=O)Nc1cc(OC)c(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409179894 PHYDEOFWFJYFSL-UHFFFAOYSA-N 484.892 5.755 5 40 JKBB Cc1ccc(C2=N/C(=C/c3cccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)O2)cc1Cl 409198411 FVKFKSXJSRGHCS-SRZZPIQSSA-N 462.845 5.120 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 409216685 NXUJCINTSGCIIF-YBFXNURJSA-N 456.863 5.758 5 40 JKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(I)c4)nc3c2)cc1[N+](=O)[O-] 2055626 FPKXKIGYDGITFL-UHFFFAOYSA-N 499.264 5.568 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1Cc1ccco1 2318984 UIHIKRRPGXLYIT-UHFFFAOYSA-N 462.296 5.232 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(=O)OCC)c1 2393271 WBTWROSMWBVHNQ-UHFFFAOYSA-N 483.572 5.349 5 40 JKBB O=c1c(Cl)c2cc3c(cc2c2ccccc12)nc1ccccc1n3Cc1ccc([N+](=O)[O-])cc1 4774359 HWCVCOFEZOZKHW-UHFFFAOYSA-N 465.896 6.466 5 40 JKBB Cc1ccc2oc3cc(NCCN4CCCC[C@H]4C)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 8997220 CTWOVWLCVDIBTG-GOSISDBHSA-N 467.569 5.536 5 40 JKBB CCCC(=O)Oc1cn(Cc2ccccc2Cl)c2nc(CCC)n3c4ccccc4nc3c12 9293025 GVUFXOVRAFPQRZ-UHFFFAOYSA-N 460.965 6.197 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570495 IZYTWKSRYJBZPL-UHFFFAOYSA-N 493.976 5.459 5 40 JKBB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 13946340 COYRRAYWQJRYPC-UHFFFAOYSA-N 460.833 5.964 5 40 JKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2cccc(Cl)c2Cl)o1 14272505 YSBKTRYIVDBEPB-UHFFFAOYSA-N 460.298 6.537 5 40 JKBB Cc1nn(-c2ccccc2)c(C)c1CCc1nc2c3sc4nc(C(F)F)cc(C)c4c3ncn2n1 22747546 GWNLZMFPHZIKQA-UHFFFAOYSA-N 489.555 5.721 5 40 JKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc(Br)cc1 34688551 GFIRNGRYVAAFBM-UHFFFAOYSA-N 463.360 5.529 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 59294174 AOANUOSNHRSFBH-PKNBQFBNSA-N 462.443 5.538 5 40 JKBB COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 106617427 WGMNVNHAENLSHC-GRNMISHVSA-N 484.556 5.175 5 40 JKBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223749543 VGGGQVBGCVYVCL-QFIPXVFZSA-N 492.041 5.205 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565100 HRAWXSGSMMPZFZ-WSNNEZGNSA-N 498.366 5.094 5 40 JKBB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408764160 SCACHMPNXOLOAL-XQOSCOKLSA-N 472.500 5.658 5 40 JKBB Cc1cccc(C)c1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409173931 PPQHAZANEKNUPK-SANMLTNESA-N 460.486 5.098 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 409181128 XECPDTSQAIVEOT-UHFFFAOYSA-N 475.953 7.346 5 40 JKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 409336118 MFAZHFCSHOHLOM-SEEPXDQQSA-N 497.985 5.462 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)o2)cc1[N+](=O)[O-] 409365886 POSAOQKXLJQPFF-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 2150454 PWFGOIZYGIGUQG-QHCPKHFHSA-N 475.497 5.126 5 40 JKBB biogenic CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 2425106 VBCAXCSUFLWURA-UHFFFAOYSA-N 452.345 5.637 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 8450172 RXMDQFRLQSORPD-WSCWJOSJSA-N 467.518 5.252 5 40 JKBB biogenic O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 35152987 NYYHHOOJOODDCY-LPYMAVHISA-N 480.929 6.064 5 40 JKBB O=C(c1ccccc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 38306100 AHURZYADMOBBMO-MSKIIMLESA-N 482.496 5.940 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224213094 YUXDMLBJGPOVSN-DNQXCXABSA-N 455.543 5.266 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 409051212 AHTIASLMUPDVPT-QRVIBDJDSA-N 494.956 6.372 5 40 JKBB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409058531 NRTOGGQKJMFJDH-XKZIYDEJSA-N 496.928 6.077 5 40 JKBB S=C(NCCC1=CCCCC1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409335190 KEDGTIOGNWFREU-UHFFFAOYSA-N 464.598 6.056 5 40 JKBB O=C(COC(=O)c1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1)c1ccc(Cl)cc1 2762295 HPCAZJWSOYZXDM-UHFFFAOYSA-N 495.918 5.197 5 40 JKBB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 6246621 DTPKWRCAYBLUOC-GOSISDBHSA-N 473.558 5.579 5 40 JKBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2Cl)o1 16383957 CNGMQTWQQBPCDI-UHFFFAOYSA-N 454.266 5.428 5 40 JKBB O=[N+]([O-])c1ccc2nc(Nc3cccc4ccccc34)c(Nc3cccc4ccccc34)nc2c1 16545046 NAFSJZTVWRKLCL-UHFFFAOYSA-N 457.493 7.332 5 40 JKBB COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl 16778371 VTMQSQXLCMJHLF-UHFFFAOYSA-N 499.936 5.053 5 40 JKBB COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[N+](Cc3ccccc3)(Cc3ccccc3)CC1)C2 22058262 UDDYCDNLGYWNNO-HHHXNRCGSA-N 470.633 6.076 5 40 JKBB in-vitro Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)o1 36352207 WZEAJZSZMAXYGL-RXVVDRJESA-N 454.280 5.501 5 40 JKBB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1 106745167 LKMCLIIIOLTPAM-JAIQZWGSSA-N 464.455 5.098 5 40 JKBB CC(C)(C)C(=O)CCCO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc1ccc([N+](=O)[O-])cc1 1857794295 XYNHHFNDNTZGNK-HKBQPEDESA-N 489.527 5.816 5 40 JKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2433340 SLNDHNJHTXCYEL-CYBMUJFWSA-N 462.351 5.326 5 40 JKBB COc1ccc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2-c2ccccc2)cc1OC 2718510 MJBPJSOAVALCSO-UHFFFAOYSA-N 491.525 5.477 5 40 JKBB COc1ccc(-c2nc(-c3c4ccccc4c(Cl)c4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1 8854107 TZHSLICENQQBTJ-UHFFFAOYSA-N 490.990 8.388 5 40 JKBB CCCCCC(=O)Oc1cn(CCc2ccccc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124526 QVNDZBBDVGGFIV-UHFFFAOYSA-N 496.655 7.298 5 40 JKBB COCCn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1ccc(Cl)cc1 9588803 HLVSFVPRRWEOLK-UHFFFAOYSA-N 460.990 6.239 5 40 JKBB Cc1cccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)c1C 13644168 JOVOQABHVDYSOA-UHFFFAOYSA-N 491.523 6.589 5 40 JKBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ccc(C)cc2)cc1OC 15277045 OCIOOBXTVDWZBO-RQZHXJHFSA-N 475.570 5.926 5 40 JKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 26124557 HLYYDFDQXBAOTF-ACCUITESSA-N 499.914 6.202 5 40 JKBB CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 57312963 YTKWCCHVZBCNTH-NTCAYCPXSA-N 463.490 5.644 5 40 JKBB CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C2=C(O)C1 102453469 SEHVMRXGZOJGFN-AREMUKBSSA-N 483.524 6.685 5 40 JKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccco1 102648386 HIPOUBMEQUKABJ-WRONEBCDSA-N 499.567 7.318 5 40 JKBB O=C(Nc1ccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 139074547 YPDYVWCGSRFDAD-FKCWEYQYSA-N 491.503 5.296 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 226363418 QDFGEUVGIMCDQE-UHFFFAOYSA-N 478.913 6.960 5 40 JKBB COC(=O)C(=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)OC 409088117 DGJICLGJEWNFBS-UHFFFAOYSA-N 494.205 5.442 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409183862 VUDGUDPYAMDXMF-AREMUKBSSA-N 487.895 6.822 5 40 JKBB CC(C)COC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 850644 OQLPUBIODPAVGF-UHFFFAOYSA-N 460.442 5.001 5 40 JKBB COc1ccccc1-n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2213836 KVGGUNGCLVPXMU-UHFFFAOYSA-N 461.525 5.207 5 40 JKBB CCN(CC)C(=S)Sc1cc(C(F)(F)F)cc([N+](=O)[O-])c1SC(=S)N(CC)CC 2254523 POHUGTUIAMYJBX-UHFFFAOYSA-N 485.644 6.051 5 40 JKBB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1cc([N+](=O)[O-])ccc1Cl 2657989 YHPLOMOTSDLMPQ-UHFFFAOYSA-N 467.890 5.320 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 8895125 NHRLRPHZZMEQGI-UHFFFAOYSA-N 484.748 6.250 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccccc2)cc1 11196574 MUXAVAYAGJKINX-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc32)cc1 12311699 MFTWELVAPHPHBD-OAHLLOKOSA-N 466.950 6.015 5 40 JKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)OCc1cccc([N+](=O)[O-])c1 12621158 LMYYNCNWIZROND-BUHFOSPRSA-N 493.475 5.311 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)s1 14944652 YIDRPYQYOFEDMG-UHFFFAOYSA-N 485.374 5.371 5 40 JKBB Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCc3ccc([N+](=O)[O-])cc3)n2n1 20643430 FTCWHCUFUQQKPD-UHFFFAOYSA-N 495.568 5.379 5 40 JKBB CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 224937399 JEYHAFZRFJEFHZ-UHFFFAOYSA-N 496.029 5.159 5 40 JKBB CCOC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCC2 408574987 NRPPTTSXAPDMOB-HMMYKYKNSA-N 462.527 5.501 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 409178276 GDGYWSMFQIVWRU-UHFFFAOYSA-N 457.236 5.212 5 40 JKBB C/C=C1/C[N@+]2(Cc3ccc(Br)cc3)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 524730713 UDBNIPZXXJZGML-NGHVXASCSA-O 462.411 5.984 5 40 JKBB biogenic O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] 3231289 YAMMIEAKCXHHQT-UHFFFAOYSA-N 470.264 5.937 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1c(F)cccc1Cl 9233154 YXQUTXNVUPXFGI-VXLYETTFSA-N 458.854 5.884 5 40 JKBB Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441840 WWDMWOFSQQYRRM-UHFFFAOYSA-N 453.911 5.047 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)c3ccccc3Cl)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500042 XRIUSXGZFXRRKU-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB COc1cc2nc(SCc3ccc(F)cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 20216204 FZRGUBZIYJGUMY-UHFFFAOYSA-N 491.504 5.301 5 40 JKBB C[C@H]1CCc2ccccc2N1p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 169428101 YFCZGDQGHCIHNB-FQEVSTJZSA-N 461.501 9.201 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1 224418320 LUEFCOOXTQFHSQ-PKTZIBPZSA-N 460.490 5.566 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 225055370 KLQOVDLNVAPPGI-FTJBHMTQSA-N 499.596 5.725 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1cccc(F)c1)c1c[nH]c2ccccc12 408569983 KMQZWFWJYXXPRR-NRFANRHFSA-N 469.310 6.057 5 40 JKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1 408682174 JCJQYAQFFYEJTB-QFIPXVFZSA-N 488.359 5.454 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] 409174647 WKELNASJJBGIIO-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc2c(c1)OCCO2 1102742 YFWHRKPLFCWVAW-MYYYXRDXSA-N 496.544 5.439 5 40 JKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2308370 QJKDYJZUANXCOI-UHFFFAOYSA-N 466.372 6.089 5 40 JKBB CCc1cccc(CC)c1-n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 3294238 KRGCQVAVFQNFQK-UHFFFAOYSA-N 488.573 5.093 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])c1 9009534 IGRQEKUXCOXJOH-UHFFFAOYSA-N 496.361 5.351 5 40 JKBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9210592 GTIWCDBYJAWIOT-CVDCTZTESA-N 494.301 5.328 5 40 JKBB COc1cc(-c2nnc(S/C=C/c3ccc([N+](=O)[O-])o3)n2-c2ccccc2F)cc(OC)c1OC 12532808 JZWXFCVQWMEXNG-ZHACJKMWSA-N 498.492 5.363 5 40 JKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cnc(Cl)c(Cl)c1 12599988 QPAUXAYZKGPKML-UHFFFAOYSA-N 466.302 5.454 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 14272125 JMPRQMDSUURCOE-UHFFFAOYSA-N 458.257 5.727 5 40 JKBB CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 20671790 ZZFMMAODYBQIDL-LJQANCHMSA-N 473.558 5.361 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 32124903 CWZNJKAHJHLRAL-KQWNVCNZSA-N 476.579 6.333 5 40 JKBB COc1ccc(/C=C2/CN(C)C[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)cc2)cc1 51330353 WGMNVNHAENLSHC-JQAKSUATSA-N 484.556 5.175 5 40 JKBB Oc1ccc2c(c1)oc1c(-c3ccc4c(c3)OCCO4)c3c(O)nn(C4CCCCCCC4)c3nc12 79490503 SDGUZQZDRDHKPK-UHFFFAOYSA-N 485.540 6.466 5 40 JKBB O=C(CCN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 95116000 VMSOOQRYCKSBMA-LJAQVGFWSA-N 496.611 5.617 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102740200 LWEZYILARCYFKV-SANMLTNESA-N 467.525 6.701 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 250990305 YDEAGMMRJKCARD-FZTAYZORSA-N 490.559 5.944 5 40 JKBB Cc1ccc(NC2=C(CC(=O)O)[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(C)cc3)C2=O)cc1 2332627 OZKPVNMMCSQQQK-VWLOTQADSA-N 457.486 5.140 5 40 JKBB COc1ccc(-c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)n2C(C)C)cc1 3295592 KMYHDHHKLWIOII-UHFFFAOYSA-N 457.555 6.087 5 40 JKBB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1Cn1cc([N+](=O)[O-])cn1 8683169 ZNSBRMJPBHTYBL-DEOSSOPVSA-N 489.919 5.273 5 40 JKBB aggregator O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 12542860 SJXUOAVSRJSFNG-UHFFFAOYSA-N 463.877 5.381 5 40 JKBB O=C(CSCc1cccc([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 12634903 ULFXBWKVXYTGIN-UHFFFAOYSA-N 468.594 5.965 5 40 JKBB Cc1ccc(Sc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2)cc1C 13149792 VLHCBVYQPNKYGU-UHFFFAOYSA-N 491.598 5.895 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc([N+](=O)[O-])c(C)c4)o3)nc12 13644082 WOKUCGFZZVTYRC-UHFFFAOYSA-N 486.513 5.560 5 40 JKBB O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccccc3O)n2)c1 16450491 HWSANSQFHIOADY-PHEQNACWSA-N 481.468 6.083 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 25968506 QRSMXVPBZPAMMV-UHFFFAOYSA-N 463.946 6.908 5 40 JKBB CCc1cc2c(=O)c(-c3cc(C(=O)OC)oc3C)coc2cc1OCc1ccc([N+](=O)[O-])cc1 26571667 IGURPHVUXFFOLE-UHFFFAOYSA-N 463.442 5.198 5 40 JKBB COc1ccc2[nH]c(=O)c(-c3c4oc5cc(O)ccc5c4nc4c3c(O)nn4C3CCCC3)cc2c1 95476871 LIYGPLGWBGTIFW-UHFFFAOYSA-N 482.496 5.374 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 108252654 XEYGSWJYKUACJZ-UHFFFAOYSA-N 456.332 5.252 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1F 214324999 IATGTPGLPHXLDG-VXLYETTFSA-N 458.854 5.884 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223841663 DWKUNRHONIEVBR-JWQCQUIFSA-N 486.553 5.826 5 40 JKBB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)C[C@H]1c1ccccc1[N+](=O)[O-] 226781898 PHOUZSILEKFOBF-QHCPKHFHSA-N 486.915 5.454 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC 408546690 MTYBWWKOLZOKHB-UHFFFAOYSA-N 479.436 5.063 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 408617346 CQOFPOIPIIUTBO-UHFFFAOYSA-N 493.463 5.284 5 40 JKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 408728960 WPKGZYCALNOXRW-JZKJUIAGSA-N 482.923 5.672 5 40 JKBB CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409239591 ZMDLORVBSFAMHH-LICLKQGHSA-N 452.410 5.852 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 409335573 KIOPJEAFCNTYIZ-WPFQWDPVSA-N 460.961 7.124 5 40 JKBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 1857245 MDYIICZQUCMLSK-YVLHZVERSA-N 462.767 5.872 5 40 JKBB COc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc(OC)c1 8883145 LIIUZBDOHIKPIC-UHFFFAOYSA-N 458.854 5.319 5 40 JKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14277665 QEKDQHITBORGQB-UHFFFAOYSA-N 478.961 6.377 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 14360109 AMSBYIKVTHJTFF-UHFFFAOYSA-N 481.618 5.591 5 40 JKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O 32124718 YXDBSQGEDSTOPE-DKNZLLBESA-N 486.571 5.432 5 40 JKBB Cc1ccc(Sc2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2[N+](=O)[O-])cc1 63111065 VAOGCSOMICHFCV-UHFFFAOYSA-N 453.995 6.030 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1Cl 214116357 WZTUMVNSMSUUNB-VXLYETTFSA-N 475.309 6.398 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224185092 PENFXJBLQVLKAB-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 224623785 ZSVZKWBFZZDXDG-GOTSBHOMSA-N 458.499 5.133 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 408553546 ANGLWLKLGBNXDG-UHFFFAOYSA-N 457.324 5.865 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c([N+](=O)[O-])cc1OCc1ccccc1 408735217 OSBDZPKKEGZZNW-UHFFFAOYSA-N 463.515 5.439 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccc(Br)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408833994 SOKFZJVZCJULDC-UHFFFAOYSA-N 494.370 6.709 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2-c2nc3ccccc3s2)c([N+](=O)[O-])c1 409255993 NBFNONXOIDQURC-UHFFFAOYSA-N 472.276 6.335 5 40 JKBB Cc1ccc(SCC(=O)N(Cc2cccnc2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 10187731 WUMMMLGKGXMZDV-UHFFFAOYSA-N 450.545 5.233 5 40 JKBB COc1cc(Br)cc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@@H]21 12194958 GHEDQIIDYIJEBV-NZQKXSOJSA-N 480.318 5.608 5 40 JKBB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12659829 FTVYCFSINBKWDK-UHFFFAOYSA-N 483.937 5.298 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 14271965 UGOSEEIGOIODGX-XBXARRHUSA-N 455.257 5.757 5 40 JKBB Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ncccc3o2)c1O 16269617 XXBOXZQAZYBBFS-UHFFFAOYSA-N 456.414 5.324 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-] 22566933 BIFNRBCCSFKYMV-INIZCTEOSA-N 459.502 6.568 5 40 JKBB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 24504866 TUJRLWHQZJXEIM-OAQYLSRUSA-N 489.575 5.627 5 40 JKBB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223902693 RQVWEJCNQDTYLG-HXUWFJFHSA-N 480.392 5.168 5 40 JKBB CC(C)(C)c1ccc(OC[C@@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCCC2)c(C(C)(C)C)c1 226070939 RYJPAJWXJAPMHT-DEOSSOPVSA-N 469.646 5.740 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 408670669 IYCWLECBWVLBKM-UHFFFAOYSA-N 467.481 6.200 5 40 JKBB Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 409177402 DHURJQWNUCNBQH-UHFFFAOYSA-N 473.506 5.622 5 40 JKBB COc1ccc2nc3sc4c(SCC(=O)N5c6ccccc6C[C@@H]5C)ncnc4c3cc2c1 1327847 FTAJRBAPOWXLNN-AWEZNQCLSA-N 472.595 5.471 5 40 JKBB C[N+](C)(CC[N+](C)(C)[C@H](Cc1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)c1ccccc1 1668891 QJPMIAXUKUYRGL-KKLWWLSJSA-N 478.724 7.107 5 40 JKBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 2250000 WWYKCOUOJBIAMD-KRWDZBQOSA-N 480.355 5.078 5 40 JKBB CCCSc1nc(SCc2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)COC(C)(C)C3 2392056 XHNRSUGZXQWDKH-UHFFFAOYSA-N 461.634 6.245 5 40 JKBB CC1(C)C[C@@](C)(c2ccc(Br)cc2)c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1 6232526 IAGDGQCRPXGYRA-VWLOTQADSA-N 479.374 6.492 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 16611263 HBWWQHSXMWYJCJ-HNNXBMFYSA-N 474.542 6.043 5 40 JKBB CN1c2ccc([N+](=O)[O-])cc2N(C)[C@@]1(C)c1ccc([C@@]2(C)N(C)c3ccc([N+](=O)[O-])cc3N2C)cc1 17186099 MXKRSFFNSOGPGH-UIOOFZCWSA-N 488.548 5.021 5 40 JKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cccc2c1Cl 59294488 AJAXGDRWDPUETK-UHFFFAOYSA-N 466.346 5.897 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)[C@H]1CCC 105798477 QFGSOVFGTYDQQW-YIXXDRMTSA-N 492.576 5.653 5 40 JKBB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224790311 PNZXEEQEETUBCA-ZEQRLZLVSA-N 487.610 5.657 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1 224887426 BALQOEMNPSHEND-XZOQPEGZSA-N 492.944 5.786 5 40 JKBB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408999468 CYXMOWBWKHEYQE-AIGMYPEUSA-N 499.611 5.149 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409108363 WQUZTQGOSAZLDC-WOJGMQOQSA-N 462.911 5.282 5 40 JKBB O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1085269 SQAQQHRMMRXIDB-UHFFFAOYSA-N 496.306 6.666 5 40 JKBB CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccc(C(C)C)cc1 2764024 HBBHSRBTBBXFEX-UHFFFAOYSA-N 466.559 6.574 5 40 JKBB CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccco1 8440905 GONSRVLFODLJHV-FOWTUZBSSA-N 479.401 5.530 5 40 JKBB O=[N+]([O-])c1ccc(Oc2s/c(=N\c3ccccn3)n(-c3ccccc3)c2-c2ccccc2)cc1 12376923 DAJQMYUJVSWAKC-SGEDCAFJSA-N 466.522 6.534 5 40 JKBB Cc1ccc(C)c(SCC(=O)Nc2cc(Sc3cc(C)ccc3C)ccc2[N+](=O)[O-])c1 13988033 QIZDXHZMKMHNJT-UHFFFAOYSA-N 452.601 6.710 5 40 JKBB C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15303455 PHSQMKVKFHIXHK-INIZCTEOSA-N 492.498 5.081 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727192 GFDFWKSQPVTHOR-XKZIYDEJSA-N 464.474 5.549 5 40 JKBB CC[N+](CC)(Cc1ccccc1)C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 226069203 RBMBHVGHRLSEJY-HHHXNRCGSA-N 470.718 6.214 5 40 JKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 409112671 FYABPUYAOZGGRJ-UHFFFAOYSA-N 457.342 6.442 5 40 JKBB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 409357090 ITJKLSRHYUOTNA-ZVHZXABRSA-N 488.521 5.401 5 40 JKBB O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 1671054 WPWQTHQBBNYGRT-UHFFFAOYSA-N 498.058 5.408 5 40 JKBB O=[N+]([O-])c1cccc(-c2nc3ccc(Cc4ccc5nc(-c6cccc([N+](=O)[O-])c6)oc5c4)cc3o2)c1 2067069 SBRLJQIPSDZYCX-UHFFFAOYSA-N 492.447 6.710 5 40 JKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 3323192 WRVRNQFFNRINIL-UHFFFAOYSA-N 462.502 5.870 5 40 JKBB O=C(NCCc1ccccn1)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 8763935 HOHUZODLXYXSRL-UHFFFAOYSA-N 489.915 6.200 5 40 JKBB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 10187624 VERAPQILCSZIKO-FMIVXFBMSA-N 460.515 5.245 5 40 JKBB CCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 19075493 YBUIUMKZUGYBIE-UHFFFAOYSA-N 479.485 5.446 5 40 JKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])o2)cc1 22571763 QKYJVZBIEWSKDM-UHFFFAOYSA-N 463.273 5.518 5 40 JKBB CCCC(=O)Nc1ccc(NC(=O)c2ccc(C3CCC(C)CC3)c([N+](=O)[O-])c2)cc1Cl 41091589 MPQQMAQIKKUZDH-UHFFFAOYSA-N 457.958 6.533 5 40 JKBB Cc1cc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)no1 44087364 IASCGGARPGHSJB-UHFFFAOYSA-N 469.910 5.128 5 40 JKBB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101639469 RVAZCUKDGZDMPQ-MHZLTWQESA-N 499.567 7.303 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224409584 FIGJZTWEVLKYGI-XZOQPEGZSA-N 459.506 5.097 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224442830 WKBCHQSYNMXXBG-PKTZIBPZSA-N 459.506 5.097 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408610667 RFDWSWCCFAGHBV-UHFFFAOYSA-N 497.813 6.588 5 40 JKBB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 408811263 ARAVVUWMFOOLNG-NVNXTCNLSA-N 483.727 5.256 5 40 JKBB COCCCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409248210 GVDPWJQHXWUYBI-HZHRSRAPSA-N 478.526 5.400 5 40 JKBB CCc1cccc2c(CCN3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)c(C)[nH]c12 1423306 TXQJTHDDIBGTQV-UHFFFAOYSA-N 469.497 5.578 5 40 JKBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(c1nnc(CC(C)C)s1)C3=O 2406739 ZKKHYCUDIKDZHV-NRFANRHFSA-N 490.541 5.118 5 40 JKBB O=C(Oc1c(Sc2ccc([N+](=O)[O-])cc2)c(=O)oc2ccccc12)c1ccccc1Cl 3194478 GTSKFRPNPGKICR-UHFFFAOYSA-N 453.859 5.725 5 40 JKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1oc2ccccc2c1CSC1CCCCC1 3289209 KZCILKGXUFMCEM-UHFFFAOYSA-N 483.542 6.130 5 40 JKBB O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)sc2c1 3667015 OQKHBOWKKBDKAB-FMIVXFBMSA-N 490.566 5.587 5 40 JKBB COc1cc(Br)cc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@H]21 9311972 GHEDQIIDYIJEBV-OFNKIYASSA-N 480.318 5.608 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cccc(C(F)(F)F)c1 9414256 YQRTUMJYZJNZLD-UHFFFAOYSA-N 469.375 5.864 5 40 JKBB COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1OC 13535507 KOFZBBMMJRCZTQ-YIXXDRMTSA-N 473.529 5.978 5 40 JKBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1ccc(Cl)cc1Cl 13563457 VPXPOIUNBZDIJM-UHFFFAOYSA-N 476.272 6.173 5 40 JKBB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 14808504 IEQIHWKIOHJGSC-UHFFFAOYSA-N 496.394 5.339 5 40 JKBB Cc1cc(OCC(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccc1C(C)C 16044756 CNSBPGKHLDGAKN-VWLOTQADSA-N 496.947 5.982 5 40 JKBB O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 35152038 XMCRMJDCEJYQJP-UHFFFAOYSA-N 494.979 5.461 5 40 JKBB C[C@@H]1[C@H]2NC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100889643 ZPBHDPZFICVTNZ-AWBWRCJSSA-N 457.861 5.448 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 205666649 JEZUOFQWVYDMHS-DNTJNYDQSA-N 484.873 5.473 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224377954 DLCMXWGCJHAYBT-FTJBHMTQSA-N 483.597 6.081 5 40 JKBB O=[N+]([O-])c1c(O)nc(/C=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc1O 409329819 GYUDOQXAWLAYHM-VURMDHGXSA-N 457.273 5.276 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 409341006 DAHQLYZKEFVLSH-UCQKPKSFSA-N 490.562 5.974 5 40 JKBB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc4c(C)cc(C)cc4cc23)cc1 1327816 TVXOQKQBNKPIGH-UHFFFAOYSA-N 472.595 5.943 5 40 JKBB Cc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2203869 ROPGTYZQRDLHQA-UHFFFAOYSA-N 468.513 5.294 5 40 JKBB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccc([N+](=O)[O-])cc1 2298724 IVDARYVRVXFMIG-UHFFFAOYSA-N 457.526 7.070 5 40 JKBB Cc1cc(OCCCCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl 5492674 YXHWSWKVRYXKHO-UHFFFAOYSA-N 452.015 6.879 5 40 JKBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)CCCCCNC(=O)OCc4ccccc4)cc3oc12 9430430 IPLMAPMCEASLOY-UHFFFAOYSA-N 489.524 5.352 5 40 JKBB O=C(CCc1nc2ccccc2s1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 9441511 NPTCSGMVUKCIQL-QHCPKHFHSA-N 495.944 5.714 5 40 JKBB COc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2-c2ccccc2)c1 9594292 FDFTYSXOBKVXCQ-UHFFFAOYSA-N 495.948 5.235 5 40 JKBB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c12 10904507 DUBMTDJKTPHDCZ-UHFFFAOYSA-N 454.845 5.171 5 40 JKBB O=C(CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc(Cl)cc1Cl 13371472 KMWWMFJUEGCBCQ-UHFFFAOYSA-N 492.746 5.836 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1c(F)cccc1Cl 16196285 FGNLKBJIHBTQJJ-UHFFFAOYSA-N 494.350 5.830 5 40 JKBB O=[N+]([O-])c1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 19880875 GOACCKYVWDKBFM-IFMALSPDSA-N 450.292 5.600 5 40 JKBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 20797515 HWBHHFRIBARWEK-JOCHJYFZSA-N 494.338 6.179 5 40 JKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)c(Cl)c2)c1 24522749 TXQHVQFFBXCWOX-PKNBQFBNSA-N 452.297 6.594 5 40 JKBB O=C(O)c1c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] 39404519 SLQDOJHPBKTUGO-IBUWUPJBSA-N 481.508 5.730 5 40 JKBB Cc1ccccc1OCc1nnc(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)n1-c1ccccc1 59489576 RSTCMUUMMSLLGU-UHFFFAOYSA-N 471.542 5.837 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4c5ccccc5cc5ccccc45)[C@H]3C2=O)cc1 101101588 JPCDTXWJEMQXSW-NGDRWEMDSA-N 484.555 6.353 5 40 JKBB CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1[N+](=O)[O-] 102074697 FGKMGHOJHWPQOV-HKGBXIQFSA-N 452.576 5.492 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102453418 QDCRAZKZLXJLPN-FQEVSTJZSA-N 459.424 5.950 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C 108018806 WFGAAHXTFNUXFI-UHFFFAOYSA-N 454.360 5.860 5 40 JKBB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408975488 KZAPNSWCLLKXOR-UHFFFAOYSA-N 468.630 6.381 5 40 JKBB O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1787089 HGJXEHCJIYUYJU-CQSZACIVSA-N 491.080 5.805 5 40 JKBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 16043479 UTQXNBDPIDAIPX-IHAPDJFTSA-N 494.613 5.624 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])c(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 16492245 QXLYPIFGRRKXSZ-UHFFFAOYSA-N 463.427 5.674 5 40 JKBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 22108227 WJBNWJGIKUVPFI-OPIFHRFKSA-N 478.504 5.027 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br 34746989 RBCKTPRKINSRTD-UHFFFAOYSA-N 460.309 5.053 5 40 JKBB O=C(Nc1ccc(I)cc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408974492 AOOFRPCQFVTPTI-UHFFFAOYSA-N 464.266 5.121 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409190065 VNGBVXZZTFSWQO-YBFXNURJSA-N 456.863 5.758 5 40 JKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2248588 BQFYFJVDBISZNL-UHFFFAOYSA-N 452.491 5.564 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 8832454 YQYVVPNYKZRNQE-NEXMIYJRSA-N 461.971 5.212 5 40 JKBB CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)c1 9008875 QZMWCSMAMQISMG-FQEVSTJZSA-N 474.561 5.129 5 40 JKBB CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 9380241 CKCYBZKZFCMJHZ-PPGPUPIYSA-N 486.333 6.041 5 40 JKBB COc1ccccc1[C@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CCC(=O)N1c1ccc(C)cc1 12925851 YWMBFDMJCZFNFD-CJAUYULYSA-N 495.482 5.313 5 40 JKBB O=c1c2ccc(Cl)cc2nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1C1CCCCC1 13134719 FWJDAQQWBAQPET-UHFFFAOYSA-N 497.964 5.806 5 40 JKBB CCc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 16161270 IFUQEURWGOGIBN-UHFFFAOYSA-N 462.243 5.274 5 40 JKBB Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2cc1C 22708193 PVYSDIZJAURNHR-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 22715470 MHFYDJDEOOJMAS-UHFFFAOYSA-N 478.940 5.389 5 40 JKBB Cc1c(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cccc1[N+](=O)[O-] 32116720 OJNLIETZPKIOHE-UHFFFAOYSA-N 468.263 5.432 5 40 JKBB Cc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccc(Br)cc4[C@H]3C2)o1 102731425 WZEAJZSZMAXYGL-NQIIRXRSSA-N 454.280 5.501 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739498 HUPMUDITHZZOJR-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB COC(=O)c1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408977235 UZQIKNSSGUDASW-UHFFFAOYSA-N 474.480 5.310 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(CNc2ccccc2)cc1 409180933 ZGYRZQDRYCVHCX-HHHXNRCGSA-N 466.493 5.988 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1C 2247968 MSFWTBIPECDLNR-UHFFFAOYSA-N 479.971 5.911 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2cc([N+](=O)[O-])ccc21 12311701 IIENKLJCGXQLTN-UHFFFAOYSA-N 462.531 5.290 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1SCc1cccc2ccccc12 12541668 FFQLAJBODIKLGP-UHFFFAOYSA-N 484.986 6.495 5 40 JKBB COC[C@H](C)n1c(C)cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)c1C 12546224 UXUYVBMRTBMJCV-INIZCTEOSA-N 496.564 5.674 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 214151030 QMPJZWXJDQTOFF-RGVLZGJSSA-N 470.890 5.753 5 40 JKBB Cc1noc(/C=C/c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)c1[N+](=O)[O-] 408607633 UDBQPRJOWHTVJU-QPJJXVBHSA-N 482.707 6.039 5 40 JKBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1 409333667 IFOFEJAKFZOKHY-LJQANCHMSA-N 486.604 6.066 5 40 JKBB O=C(Nc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1)c1ccc(Cl)cc1 792671 VEXDSSPORJIALO-UHFFFAOYSA-N 478.917 5.876 5 40 JKBB O=C(COC(=O)c1cc(Cl)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1823625 YCUUVHVKVMHMAP-UHFFFAOYSA-N 497.290 6.282 5 40 JKBB CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2264602 QWOGAQUXLROIIM-HSZRJFAPSA-N 493.581 5.006 5 40 JKBB O=c1cc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2c(ccc3ccccc32)o1 3317052 BSAFFKHPTLNFED-UHFFFAOYSA-N 495.991 7.140 5 40 JKBB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2c1 6844229 LPSORDXKRARRGT-UHFFFAOYSA-N 476.533 5.946 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc2ccccc2c1 9232978 FXTOWDBLEZWXCY-OEAKJJBVSA-N 456.479 6.245 5 40 JKBB COc1cc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(C)cc1[N+](=O)[O-] 12542424 UUKOASYZXUCJPP-UHFFFAOYSA-N 474.542 5.700 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 12851017 CACWZHSYVDZDDS-PUHABZHSSA-N 493.519 6.025 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 14274573 MFRVRZCPMFEUTL-WEVVVXLNSA-N 476.341 5.996 5 40 JKBB Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccc1Cl 14359096 JCBFHLDOHCYGNU-UKTHLTGXSA-N 471.922 5.009 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] 32112072 ZMHRXOXYTZHGSL-UHFFFAOYSA-N 459.458 5.553 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223873123 IMPISVXFLQKTPB-GOTSBHOMSA-N 458.499 5.133 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224345733 KTHDXBZXYUHAHS-LOSJGSFVSA-N 469.570 5.520 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224474659 LEVQLGXVIFPSAQ-PKTZIBPZSA-N 475.961 5.611 5 40 JKBB Cc1cccc(C)c1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 408593609 CAJVDXVCPQXITA-UHFFFAOYSA-N 474.542 5.346 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c3ccccc3n2)cc1 409176105 HLCDLANJGSEOEV-UHFFFAOYSA-N 490.515 7.268 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(CNc2ccccc2)cc1 409180934 ZGYRZQDRYCVHCX-MHZLTWQESA-N 466.493 5.988 5 40 JKBB CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12 6860425 LDBAAMFWKYHOHI-UHFFFAOYSA-N 477.633 7.306 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(C)cc4[N+](=O)[O-])o2)N3)C1 8920420 OCDFSYPDVNOFSP-NPMXOYFQSA-N 479.602 7.195 5 40 JKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9190283 NLRJKFOLBLZRPA-UHFFFAOYSA-N 472.501 5.654 5 40 JKBB COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9192539 BCRPTMMQWSPENN-QHCPKHFHSA-N 490.899 5.151 5 40 JKBB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 10060362 GENXUDAKCMPIJL-XZOQPEGZSA-N 489.919 5.230 5 40 JKBB CC1(C)CC(=O)c2c(oc3c(Cl)cc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)cc23)C1 12293489 RNJUBYGWUQLQLC-UHFFFAOYSA-N 483.329 5.604 5 40 JKBB CC1CCN(c2ccc(C(=O)O[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)cc2[N+](=O)[O-])CC1 12564736 TWLHSNAIYSFSEB-MUUNZHRXSA-N 497.551 6.093 5 40 JKBB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 62587363 SJMAAOVFSXKSCW-UHFFFAOYSA-N 474.973 5.332 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccc1 102095196 FFAYSDMXIBQSFX-UHFFFAOYSA-N 457.786 5.061 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1 408577267 YWXNYXWNXIQNGR-RUZDIDTESA-N 490.585 5.582 5 40 JKBB CN(C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2ccccc2c1 408975554 MYZFGRLAAPRHHH-UHFFFAOYSA-N 496.599 6.866 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1CCCc1ccccc1 409127996 DJTVVQICLPIMSF-JJIBRWJFSA-N 474.538 5.843 5 40 JKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 8903243 IUIZCPWDCMDVNA-UHFFFAOYSA-N 465.487 5.674 5 40 JKBB CCCn1nc2ccccc2c1[P@](=Nc1ccccc1[N+](=O)[O-])(Oc1ccccc1F)C(C)(C)C 12559859 IHLNFPDIMYTKJT-DHUJRADRSA-N 494.507 7.444 5 40 JKBB Cc1ccc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)cc1 13139481 CRJLQWDHIDWDDI-QHCPKHFHSA-N 464.485 5.639 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 13924954 UESNLMFVLGOABL-BKUYFWCQSA-N 478.888 5.570 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3N3CCOCC3)o2)cc1Cl 20611834 QEPCTSKVCCHKPL-RMKNXTFCSA-N 467.909 5.305 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 22572917 XDZLTZJKOWHMEH-UHFFFAOYSA-N 463.925 5.885 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 22716616 MMHLQENOTNDIRS-UHFFFAOYSA-N 479.924 5.342 5 40 JKBB CC(C)n1ncc2c(-c3cc4cccc5c4n(c3=O)CCC5)c3oc4cc(O)ccc4c3nc21 96115373 PLKAPODXNURMEH-UHFFFAOYSA-N 450.498 5.545 5 40 JKBB biogenic O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc12 102761716 DBBQJJJRVZFRHU-SDHOMARFSA-N 499.910 5.453 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br 106725858 BWOWVCFZTRAUHP-NVNXTCNLSA-N 498.152 5.356 5 40 JKBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Br)cc1 408624944 WDMHLTPFKQDPHF-UHFFFAOYSA-N 464.655 5.310 5 40 JKBB C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2617271 KNLZGBZRTXXRQA-LLVKDONJSA-N 483.600 5.331 5 40 JKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 2746159 AJUSZRPQASCJCE-QHCPKHFHSA-N 489.329 5.806 5 40 JKBB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 8903229 BAWDZWAQLZZYOD-WEVVVXLNSA-N 459.911 5.467 5 40 JKBB CCCCC(=O)Oc1cn(Cc2cccs2)c2nc(CCCC)n3c4ccccc4nc3c12 9243153 FQPYSPMSNTXDPJ-UHFFFAOYSA-N 460.603 6.385 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)CCc2nc3ccccc3s2)c2ccccc2)c([N+](=O)[O-])c1 9597071 XQLWRKRTKQIYQS-XMMPIXPASA-N 475.526 5.369 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 12311399 HXTVIWNBNVXNDV-UHFFFAOYSA-N 468.922 5.327 5 40 JKBB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3sc4ccc(Cl)cc4c(=O)c3c2)cc1 12401524 ITDRAHGUNMJBNK-MRXNPFEDSA-N 450.003 7.009 5 40 JKBB COc1ccc(-c2nc(NC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)sc2C)cc1 13070915 BWVVUQUGUYPARD-UHFFFAOYSA-N 466.563 5.668 5 40 JKBB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 16028757 OFFNGASDRBRMOD-XDHUDOTRSA-N 459.498 5.193 5 40 JKBB biogenic CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463590 MLUNOSMRVONHTR-UHFFFAOYSA-N 473.554 6.817 5 40 JKBB CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(S[C@@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)nc3ccc([N+](=O)[O-])cc31)C2=O 100928210 OIQAHDMGJUIHAG-NMCVTMPOSA-N 495.645 5.997 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccc1Cl 102129672 UJEWFKYHUUVIPR-UHFFFAOYSA-N 492.231 5.714 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214894838 PGJMUQWHHFOTSV-LPYMAVHISA-N 480.929 6.064 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 223880877 VQCYRGUTTFWNHL-PKTZIBPZSA-N 458.499 5.133 5 40 JKBB COc1ccc(C[N+]2(C[C@@H](O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)CCCCCC2)cc1 226068819 ZOULSBOUBGERJY-HHHXNRCGSA-N 482.729 6.740 5 40 JKBB O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccccc1 409014160 PDHGUVQGSXPMGW-UDWIEESQSA-N 484.295 5.578 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)c([N+](=O)[O-])c1 409120400 VTNCDGYQCIMILG-UHFFFAOYSA-N 457.442 6.700 5 40 JKBB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 2260859 BTPJAGLGMDQWSP-IVZQSRNASA-N 496.516 5.213 5 40 JKBB aggregator O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 2305367 JACVOTKQFAQCJN-UHFFFAOYSA-N 479.444 5.638 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc(Br)o1 9414290 JLSMFKJXGDUOIR-UHFFFAOYSA-N 470.235 5.201 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc4c(Br)cccc34)nc12 10010604 WJTKBKDBDSNQOA-UHFFFAOYSA-N 458.293 5.381 5 40 JKBB O=C(NCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 12529130 PIZKKBNFBZHQKQ-UHFFFAOYSA-N 497.517 6.003 5 40 JKBB O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 14413640 MGJQVBCXXBCRMH-LYBHJNIJSA-N 452.535 6.925 5 40 JKBB CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 17253648 DZQLBFSYEPOYJZ-AFZMZZQISA-N 471.557 5.909 5 40 JKBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 20411807 ORMMZWSVOQAIAU-UHFFFAOYSA-N 468.535 5.012 5 40 JKBB Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cc2ccccc2o1 32112065 HTOZVNAVLXLRMZ-UHFFFAOYSA-N 481.464 6.414 5 40 JKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408542191 HXOHQPYQRGNRGK-KTKRTIGZSA-N 459.296 5.802 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917233 PMXKXENDISMDOL-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1cccc(Cl)c1Cl 408985231 AJAFZSBRUYCZQS-HXUWFJFHSA-N 490.368 6.197 5 40 JKBB O=C(c1ccccc1)c1ccc(N2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 1616042404 WIZFIXUQYMQVAU-VWLOTQADSA-N 474.969 6.693 5 40 JKBB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1cccc([N+](=O)[O-])c1 9404450 VVVKBAUOCZOLOF-UHFFFAOYSA-N 458.499 5.572 5 40 JKBB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 38175670 HYZLVUUKQFMRBK-IDUWFGFVSA-N 458.293 5.075 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Br)cc2)o1 57317066 ZLMAIROEXLFQAO-WTDSWWLTSA-N 461.699 5.600 5 40 JKBB CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 59482980 PLVSDXYDRVMCDY-QHCPKHFHSA-N 474.502 5.444 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCCC[C@@H]1C[C@]3(Cl)[N+](=O)[O-] 118923323 WLCMLNQXGZCMEO-KGIXCLFGSA-N 452.123 8.320 5 40 JKBB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223902746 RQVWEJCNQDTYLG-FQEVSTJZSA-N 480.392 5.168 5 40 JKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408543670 PVKJGOBROJBWMW-RMKNXTFCSA-N 477.286 5.941 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(F)c1 408564886 AQNHEUUKUNIZAQ-HXUWFJFHSA-N 499.336 6.066 5 40 JKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 408801169 RXPJZQWPNJHZKF-UHFFFAOYSA-N 475.333 6.233 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409097307 MAZXXXINEGHDGU-WOJGMQOQSA-N 462.911 5.282 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c([N+](=O)[O-])cc1C 409366949 YBCCCVZDTYEWTK-NHDPSOOVSA-N 479.470 5.616 5 40 JKBB C[C@@H]1CCCN(C(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)C1 643588042 TUVRNWBCDZXSLQ-YFXJRYMSSA-N 480.609 5.188 5 40 JKBB Cc1ccc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 1820688 ICGQMUYIVSTASS-UHFFFAOYSA-N 490.479 6.146 5 40 JKBB O=C(Cc1c(F)cccc1Cl)Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1 1830492 PVRKUMVVOHRHTJ-UHFFFAOYSA-N 494.906 6.986 5 40 JKBB O=C1N(c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)cc2)[C@]2(C[N+](=O)[O-])CCCCCN12 3263763 IHPGVNNEYNKDSQ-NRFANRHFSA-N 463.321 5.409 5 40 JKBB COc1ccc(CNc2cc3oc4cc(C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 8741103 ALILUMRKNZSWHC-UHFFFAOYSA-N 462.505 5.870 5 40 JKBB CCCCCC(=O)Oc1cn(C2CCCC2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124594 YWJGNMUPCHDLAC-UHFFFAOYSA-N 460.622 7.171 5 40 JKBB CC(C)Cn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1F 13128117 RTDASVMPJYMRLZ-AWEZNQCLSA-N 468.514 5.552 5 40 JKBB CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1CCc1cccc(OC)c1C(=O)OC 100032917 WQHFVWSPYJVZBZ-UHFFFAOYSA-N 459.542 5.373 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408569356 VVVAEURPYQOLKK-DPQOWFAMSA-N 498.366 5.094 5 40 JKBB CCCc1nc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)n[nH]1 408632143 NTMNDXIWKORUOG-BKUYFWCQSA-N 477.546 5.195 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccccc1 409180026 URFWGWJHIUITEU-HHHXNRCGSA-N 465.461 5.607 5 40 JKBB COc1ccc(-c2s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n(C)c2-c2ccc(OC)cc2)cc1 409196555 WBKVPLRTRVVMAN-QPLCGJKRSA-N 475.526 5.087 5 40 JKBB C[C@H]1CCCN(C(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)C1 643588039 TUVRNWBCDZXSLQ-OFAXGOBFSA-N 480.609 5.188 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)cc3)c2ncn1Cc1ccccc1Cl 2246879 ZLVMOQLXMYPYDP-UHFFFAOYSA-N 472.335 5.639 5 40 JKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2323481 HNNPHEHNCQRNFU-UHFFFAOYSA-N 466.372 5.953 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 9010512 LQAXVLBWFZUAAT-UHFFFAOYSA-N 480.571 5.011 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)cc(Br)cc12 9087719 NWBIZEPWHVWCCH-UHFFFAOYSA-N 492.329 6.142 5 40 JKBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 9434522 CRNNHVZNCNKWTE-UHFFFAOYSA-N 466.350 5.219 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N=[P@](c1c(C)nn(-c2ccccc2)c1C)(N(C)C)C(C)(C)C 12559139 OKMYXYXIODMGFI-JGCGQSQUSA-N 453.527 6.139 5 40 JKBB CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509763 OIRZSXQWNLWZTN-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 22567621 WCWNZSZCLWMULA-ZZXKWVIFSA-N 460.298 6.423 5 40 JKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 101083974 SVLUFQKKOCYBOJ-UHFFFAOYSA-N 481.327 5.852 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 224280934 JTNGBWNXIIYFGK-JWQCQUIFSA-N 470.554 6.044 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409124178 JQGKPVLSQDYDGG-BUVRLJJBSA-N 496.585 6.189 5 40 JKBB CCOc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409180658 YXRGNEYDJZEAPL-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1 409200525 HYADZMIMFAPXSI-KQWNVCNZSA-N 460.511 5.453 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 8833094 CXWBOEMJWOGYMZ-XBXARRHUSA-N 496.759 6.341 5 40 JKBB O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833172 FUJVLBQYALWNOC-UHFFFAOYSA-N 496.976 5.768 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 8871113 NQOWFYJBTGZEEY-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14272071 NDSQUBDLCKYQKF-UHFFFAOYSA-N 455.495 6.692 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 35855409 AEMQDLSNILVURF-CBUXHAPBSA-N 499.592 5.030 5 40 JKBB CC1(C)[C@@]2(c3ccccc3)[C@H]3C[C@H](Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H]3[C@]12c1ccccc1 104280330 PKVJOCRCDBBKCX-BUSIPVBWSA-N 456.498 5.816 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224348245 SHQOOYOHLJRIJG-JWQCQUIFSA-N 470.554 5.989 5 40 JKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1Cl 408840607 ZNMTVWNUFSVIHS-WLRTZDKTSA-N 453.690 6.114 5 40 JKBB CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409069165 LPMPAZBCKRZLST-UNOMPAQXSA-N 491.363 5.773 5 40 JKBB 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6.066 5 40 JKBB COc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1 10120423 ABYSIDFICVZXLX-UHFFFAOYSA-N 497.507 6.218 5 40 JKBB Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 15735893 NNQZPHGPMGDQRU-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 106702381 KLSIPLGRHVUEPH-JAIQZWGSSA-N 499.342 6.162 5 40 JKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224411467 FFPFBANLKWGVAP-OAQYLSRUSA-N 492.403 5.310 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408605684 GKYPLJQFZLDQBC-UHFFFAOYSA-N 455.898 5.195 5 40 JKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)ccc1OC 408606209 PFERNDMOTKHZPU-RMKNXTFCSA-N 487.896 5.140 5 40 JKBB CCc1ccccc1N1C(=O)c2cccc3c(-c4cccc(C(=O)O)c4)c([N+](=O)[O-])cc(c23)C1=O 409002602 VOSWUTUMRDRBFQ-UHFFFAOYSA-N 466.449 5.476 5 40 JKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2[N+](=O)[O-])n1 3351903 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465.918 5.896 5 40 JKBB C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9671183 BTADKXIMZDCUGE-CYBMUJFWSA-N 498.927 5.149 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3cccnc3)nc2c1 9971543 KQSKHSTYLZJRRB-FMIVXFBMSA-N 452.426 5.710 5 40 JKBB Cc1nc2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2n1-c1ccccc1 10992578 DBHQTYLMFOFWHU-CQSZACIVSA-N 478.892 5.080 5 40 JKBB Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1=O 101270570 YMGGSTCLWUGBHJ-UHFFFAOYSA-N 460.877 5.022 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225255622 ZQOACCHXUKDGFA-YBFXNURJSA-N 472.979 5.504 5 40 JKBB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408804978 IAGBJTHUQSUCPN-UHFFFAOYSA-N 450.471 5.076 5 40 JKBB Cc1nnc(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)s1 408980603 GAHGTPNJJHUGIK-UHFFFAOYSA-N 489.629 5.388 5 40 JKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@@H]12 408994305 ZEJZXIFCVYCIFO-PTUXOGIPSA-N 451.320 5.837 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 409196177 ZJOYYGQIUKTIEN-DRXPRRSGSA-N 474.856 5.212 5 40 JKBB COc1ccc2nc3sc4c(SCC(=O)Nc5ccc(C(C)=O)cc5)ncnc4c3cc2c1 1327820 QJMIURJWRVBLSQ-UHFFFAOYSA-N 474.567 5.335 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1[N+](=O)[O-] 2225434 SCYGHYHGSZKBBI-UHFFFAOYSA-N 476.514 5.155 5 40 JKBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 3844728 VYEOHMXBLIEAPS-HOTGVXAUSA-N 464.430 5.339 5 40 JKBB biogenic O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccccc1[N+](=O)[O-] 8835462 KYFVAYSLCURGKH-UHFFFAOYSA-N 494.532 6.197 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3Cl)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500045 VYRXNZKVEJZDNN-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cccc(COc4cccc(Cl)c4)c3)nc12 13643722 ZBJZQOILKZUGAK-UHFFFAOYSA-N 471.973 6.403 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C\COc1ccc3ccccc3c1Br)O2 32931802 ZTMQNHWQGYRVGS-KZRDGKHBSA-N 497.345 5.239 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 35851851 QEKIEKMHKQUNFP-MGDCHWCSSA-N 499.592 5.030 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 35855405 AEMQDLSNILVURF-QUIZSENMSA-N 499.592 5.030 5 40 JKBB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1Cl 106729217 HWTCAQLTHRQRTF-GRSHGNNSSA-N 484.873 5.443 5 40 JKBB CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 409113313 HPPDPTCJHFIZRC-MOSHPQCFSA-N 479.330 5.843 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1Cc1ccccc1 409113936 OVVBFVTZJRISLF-MUUNZHRXSA-N 493.519 5.685 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409317162 SEDQIRAJQPUFNF-WPFQWDPVSA-N 453.542 6.452 5 40 JKBB C[N+](C)(CC[N+](C)(C)[C@@H](Cc1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 1668888 QJPMIAXUKUYRGL-HEVIKAOCSA-N 478.724 7.107 5 40 JKBB CC[C@H]1CCc2c(sc3nc(Sc4ccc([N+](=O)[O-])cn4)n(-c4ccccc4)c(=O)c23)C1 8427597 YGQSBKVPAXEVKK-AWEZNQCLSA-N 464.572 5.417 5 40 JKBB O=C(O)c1cc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc2ccc(Cl)cc12 9489388 MCTRWNJWBOFYFK-DUXPYHPUSA-N 455.253 6.578 5 40 JKBB Cc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1[N+](=O)[O-] 18113839 JIHILFMXJMAVNI-DEDYPNTBSA-N 467.403 5.562 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccc(C)cc2)=C(C)N1 31830093 AISLSFVIKGFDPP-UHFFFAOYSA-N 496.567 5.724 5 40 JKBB CCCN1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O 408997437 OQUCRIRSXHIGCA-UHFFFAOYSA-N 482.334 5.877 5 40 JKBB CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc21 409109828 MDSFQTWGDJPECK-JCMHNJIXSA-N 493.357 6.234 5 40 JKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)c(Cl)c1 409173891 ORMSEQFJEMYTNE-UHFFFAOYSA-N 489.311 6.156 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)-c1ccccc1C2=O 409179182 PSCJOJCTJASPSI-UHFFFAOYSA-N 451.434 5.956 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409354140 YXLMOBQVGRTXII-NHDPSOOVSA-N 479.470 5.616 5 40 JKBB Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)c2)cc1 990257 DDWXPZXOUORDFE-UHFFFAOYSA-N 454.280 5.170 5 40 JKBB COc1ccc(-c2csc3nc4c5ccccc5c(-c5ccc(F)cc5)nn4c(=O)c23)cc1 2106448 OYTTYQMZHZGUAZ-UHFFFAOYSA-N 453.498 5.939 5 40 JKBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccccc1Br)n1c3ccccc3nc21 3192110 ARFJFEYNDMBWLR-UHFFFAOYSA-N 455.315 5.317 5 40 JKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12 8741965 SQWWCUVVPKNLSN-UHFFFAOYSA-N 469.884 6.976 5 40 JKBB O=C(Nc1cccc(Cl)c1)OCc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 8781538 KDSOCWNCRIHDHB-UHFFFAOYSA-N 471.947 6.758 5 40 JKBB Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(Nc3ccc(Oc4ccccc4)cc3)c([N+](=O)[O-])c2)c1 8809818 HOEMZQWWQUNXCS-UHFFFAOYSA-N 484.468 6.600 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 8831866 LJCSLSDSRCQKDD-UXBLZVDNSA-N 453.285 6.097 5 40 JKBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 9219732 AVFVKTSIYGUCOC-OAHLLOKOSA-N 493.536 5.077 5 40 JKBB CCOc1ccc(OCC)c(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)c1 11250908 XMYRBUPUNUYVNO-UHFFFAOYSA-N 499.592 5.714 5 40 JKBB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCCCC1 12540444 UMVUFXFEPCUAEP-UHFFFAOYSA-N 486.488 5.289 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)o2)c([N+](=O)[O-])c1 20610406 QFKRUYFRITUCKS-UHFFFAOYSA-N 457.421 5.289 5 40 JKBB Cc1ccc(C)c(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccc(Br)cc4[C@H]3C2)c1 36350576 GAKKYNOMRHWHNP-VWNXMTODSA-N 478.346 6.216 5 40 JKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1[N+](=O)[O-] 72229237 QREBQPHRJNVCAG-LBPRGKRZSA-N 452.736 5.642 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCC(C)CC4)c(Cl)c3)o2)c([N+](=O)[O-])c1 98086936 IPPUIFQVORMMMM-UHFFFAOYSA-N 469.925 6.005 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(C)cc1 102529251 PZVGAAKPGLKPPG-LGGPFLRQSA-N 481.552 6.863 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(C)C 106729233 SVNWABYPHWILKL-MTJSOVHGSA-N 456.520 5.265 5 40 JKBB CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC 408570659 LUJCNRDEYKYFRM-JOCHJYFZSA-N 456.568 5.100 5 40 JKBB O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 2219766 BWQNYWOWPANJCO-AWNIVKPZSA-N 475.551 5.831 5 40 JKBB O=C(CCCOc1cccc(Br)c1)OCc1cc(=O)oc2ccc3ccccc3c12 2653163 XNZYBSBQCTVMBH-UHFFFAOYSA-N 467.315 5.611 5 40 JKBB O=C(Oc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1)c1cccc([N+](=O)[O-])c1 12523856 PXANAOCCOZXCST-RUZDIDTESA-N 462.465 5.803 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 14272940 PKTXVGBQOMSYLS-HWKANZROSA-N 451.693 6.775 5 40 JKBB O=[N+]([O-])c1cc2c(cc1C1N(Cc3ccc(Cl)cc3)CCN1Cc1ccc(Cl)cc1)OCO2 20457750 LSTQVWOTRLDKBU-UHFFFAOYSA-N 486.355 5.647 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)cc1 22740658 YTCFMTSYCZEAIN-UHFFFAOYSA-N 483.524 6.657 5 40 JKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 72229335 QOZRLARHPHAZPR-UHFFFAOYSA-N 452.736 6.008 5 40 JKBB O=[N+]([O-])c1cccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nc(C(F)(F)F)nn32)c1 102950024 IMEKDYBYHBUQKY-OAHLLOKOSA-N 466.217 5.024 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223990050 GHVXCBOFWQEPBW-JWQCQUIFSA-N 499.552 5.385 5 40 JKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 408563777 PLIAVVCHRZOZFZ-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Br)cc2)cc1)c1c[nH]c2ccccc12 408566204 FBLFDXZMITVIAP-QFIPXVFZSA-N 451.320 5.918 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1C 408574047 UMGRSMMMXWRDHM-VWLOTQADSA-N 492.576 6.021 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 408575898 WZQOADKRMZGLCI-XMMPIXPASA-N 478.549 5.712 5 40 JKBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409074730 VFTAETLOXWBGHZ-CIAFOILYSA-N 493.903 5.323 5 40 JKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1 409159026 YTYKDTFYKFFSHQ-BUVRLJJBSA-N 484.602 6.390 5 40 JKBB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409180917 UVEPWPWKEGWSIS-UHFFFAOYSA-N 497.503 6.314 5 40 JKBB CCOc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 2068783 DNUZBPQARHTSJA-UHFFFAOYSA-N 458.586 6.408 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 3191930 HTDQHSBVEXHLBQ-FMIVXFBMSA-N 497.381 6.131 5 40 JKBB O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccc([N+](=O)[O-])o1 3303860 MLKCIRSPFTXWHJ-QGZVFWFLSA-N 468.771 5.397 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2c3ccccc3cc3ccccc23)c2ccccc2)cc1Cl 3321197 VYVAVEWODNOKAT-NDEPHWFRSA-N 479.963 7.492 5 40 JKBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 9193131 MTBLHNMIXROMAB-UHFFFAOYSA-N 462.351 5.073 5 40 JKBB CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 9951068 AILVVNJGZOYHTD-UHFFFAOYSA-N 487.541 5.166 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)ccc3o2)cc1 10372891 AUCRDJBZBFCLGU-UHFFFAOYSA-N 457.486 5.862 5 40 JKBB Cc1nc2cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2n1-c1ccccc1 10992577 DBHQTYLMFOFWHU-AWEZNQCLSA-N 478.892 5.080 5 40 JKBB Cc1ccc2c(oc(=O)c3c(-c4c(F)c(F)c(F)c(F)c4F)nc4c5ccccc5oc4c32)c1C 11865297 FYDOIHSLIJLXRA-UHFFFAOYSA-N 481.376 7.220 5 40 JKBB biogenic CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409161086 WEUWXNYSPXAPMD-UHFFFAOYSA-N 483.594 5.256 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 409171585 AGTAXOZZFSEWGP-VWLOTQADSA-N 480.904 5.443 5 40 JKBB O=C1N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 409235954 DLVIFUBTYXKKRV-LPYMAVHISA-N 472.888 5.349 5 40 JKBB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409249309 HGUGTAMGQAMXMH-UHFFFAOYSA-N 491.525 5.469 5 40 JKBB Clc1cc(Cl)c2c(Cl)c(Cl)c3c(Cl)cc(Cl)c4c(Cl)c(Cl)c1c2c43 685937440 VBNWXMZPNAPCBW-UHFFFAOYSA-N 477.816 9.811 5 40 JKBB COc1cc(Nc2nc(SCc3cccc([N+](=O)[O-])c3)nc3ccccc23)cc(OC)c1OC 2948878 KYLNYHPOKUBZDI-UHFFFAOYSA-N 478.530 5.600 5 40 JKBB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 8424907 PSRYNXHIEYOATG-XKZIYDEJSA-N 481.420 5.793 5 40 JKBB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 9290842 GAKKYNOMRHWHNP-ISKFKSNPSA-N 478.346 6.216 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2)c([N+](=O)[O-])c1 12564927 ZLUZFZVQNQWYAA-QFIPXVFZSA-N 473.312 5.676 5 40 JKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12600086 OOYAQZXLNSFEJO-TXEJJXNPSA-N 456.757 6.290 5 40 JKBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc1)=NCC2 35079871 PSWXUOSESKPARA-UHFFFAOYSA-N 474.517 5.152 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc2ccccc12 224636152 PWYYGPJIZKLPFB-UHFFFAOYSA-N 456.498 6.286 5 40 JKBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1[N+](=O)[O-] 408642536 OTWCDGBKNFJIRQ-IBGZPJMESA-N 487.556 5.985 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408823516 DSVSVGPZOMFHTK-UHFFFAOYSA-N 474.498 6.163 5 40 JKBB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409144403 NYVSXNKMKTZEKX-SZXQPVLSSA-N 491.547 5.747 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 409181358 BQAADNIYSWDJLW-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 3143279 BBBRQJYHVZNVKG-UHFFFAOYSA-N 498.451 5.800 5 40 JKBB O=C(Nc1cc(Cl)ccc1N1CCCCCC1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 3340415 VZKLLNBSTYEYBY-UHFFFAOYSA-N 482.005 7.032 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1NCCc1ccccc1 8783525 QAHVONUALJMMHU-UHFFFAOYSA-N 485.613 5.700 5 40 JKBB CCc1ccc(C2=NN(c3ccccc3)[C@]3(CC2)SC(C(C)=O)=NN3c2cccc([N+](=O)[O-])c2)cc1 8867394 VMSLSADPKGXYHE-MHZLTWQESA-N 499.596 5.971 5 40 JKBB CCCC(=O)Oc1cn(Cc2ccccc2OC)c2nc(CCC)n3c4ccccc4nc3c12 9293143 AFTLYNHVIMKALW-UHFFFAOYSA-N 456.546 5.552 5 40 JKBB Cc1ccc(-c2nc(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)co2)c(C)c1 12537315 JAXLDYLZSLILTR-UHFFFAOYSA-N 460.456 5.208 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 12616470 PNLODVCYNCPKFH-QHCPKHFHSA-N 496.922 6.122 5 40 JKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 15659591 CRGLESUARFMDBY-BKJLSBSTSA-N 478.504 5.027 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22715397 FCGBZVCMHRGSNN-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1cc2ccccc2o1 32111928 DJIKXYPEFHXCHI-UHFFFAOYSA-N 459.458 5.228 5 40 JKBB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Br 34967302 BOEPHPKXUHVTPH-UHFFFAOYSA-N 468.716 5.395 5 40 JKBB CC1=NN(c2ccccc2)[C@@]2(SC=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 59482984 IWKFZBLSNGJXQH-QFIPXVFZSA-N 460.475 5.054 5 40 JKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccc(F)cc1 95676429 VSRLISSDKRZTJE-UHFFFAOYSA-N 452.310 5.028 5 40 JKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223841605 DWKUNRHONIEVBR-LOSJGSFVSA-N 486.553 5.826 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2ccccc2O)c(C)c1 408545096 OVDRBVGHPURKGX-UHFFFAOYSA-N 493.520 5.035 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl 408574642 JONINGCAMAMJRB-UHFFFAOYSA-N 499.854 5.320 5 40 JKBB O=C(O)/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1 408632400 FNPJUCMFQCVFMC-UDWIEESQSA-N 484.942 6.758 5 40 JKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 408806421 DVJTUHXNQXKHEA-UHFFFAOYSA-N 496.952 5.599 5 40 JKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 408814646 VXHPKNVVMSLVGT-UHFFFAOYSA-N 456.887 5.280 5 40 JKBB CCCCCC(=O)Oc1cn(-c2ccccc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124187 JXCLIMADTNHQBC-UHFFFAOYSA-N 468.601 7.045 5 40 JKBB CCO[P@@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)c2c(F)c(F)c(F)c(F)c21 9357767 OVMCPOVIANSVNC-MGBGTMOVSA-N 479.326 5.605 5 40 JKBB O=C(c1ccc([N+](=O)[O-])s1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1 10187646 SCBFBBHGGRTBRG-UHFFFAOYSA-N 475.349 5.271 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cc3c(s2)CCCC3)c2ccccc2)c([N+](=O)[O-])c1 12635077 OMVLHNSVESLTMW-JOCHJYFZSA-N 450.516 5.380 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)cc2[N+](=O)[O-])CC1 20142665 OTUZBBMPCMZTHA-UHFFFAOYSA-N 469.925 5.489 5 40 JKBB CCc1nc(N)nc(N)c1-c1ccc(NCCCCCCCCCCCCN)c([N+](=O)[O-])c1 34701257 BJTINJATZCBVPW-UHFFFAOYSA-N 457.623 5.050 5 40 JKBB COc1ccc(-c2csc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1Br 34967220 NKLPGCQDAFDGBO-VMPITWQZSA-N 460.309 5.141 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727367 UEZBTPFMNVTJOL-CFRMEGHHSA-N 487.512 5.973 5 40 JKBB O=C(O)C(Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 218904347 IOBHTRTWFGXPLF-UHFFFAOYSA-N 486.436 5.706 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 224482632 NCRIPZPOVUDLAS-PKTZIBPZSA-N 476.945 6.080 5 40 JKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F)C(c1ccccc1)c1ccccc1 408997208 CNSUGEOFBSIMSB-SANMLTNESA-N 497.526 5.232 5 40 JKBB O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 409176128 HYRQHJQQINSRFT-AREMUKBSSA-N 480.476 5.628 5 40 JKBB CCCN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409344771 KJCYKXIECBPQDO-LICLKQGHSA-N 452.410 5.852 5 40 JKBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2308988 LTCZZVCGSDJHMU-UHFFFAOYSA-N 465.944 5.488 5 40 JKBB COc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1Cl 9243453 NARLNFYHCMHJLJ-UHFFFAOYSA-N 476.964 6.173 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 13129061 MSPIKEIZRKBLBR-INIZCTEOSA-N 491.544 5.098 5 40 JKBB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 13946344 PSWWXIWOXLYZIK-UHFFFAOYSA-N 460.833 5.964 5 40 JKBB O=C(OCc1ccc(I)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 16449413 FAQDXUDLIOPDLK-UHFFFAOYSA-N 491.306 5.708 5 40 JKBB CCN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])s3)c2-c2nc3ccccc3s2)C1 23153871 AJDRFYKAUKTZFZ-UHFFFAOYSA-N 470.601 5.625 5 40 JKBB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294482 JFRXSVJTXOPZIT-UHFFFAOYSA-N 467.865 6.663 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 214056760 PVRPEDDYJQIARS-CIAFOILYSA-N 477.454 5.532 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223403312 IVBFWPNYAXUHGV-RPBOFIJWSA-N 486.553 5.431 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224881274 KMORXUVTJRITEM-DHIUTWEWSA-N 492.944 5.786 5 40 JKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c(C(C)(C)C)c1 226070283 YCYHGACSDOBDBC-MUUNZHRXSA-N 496.756 6.629 5 40 JKBB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1cccc([N+](=O)[O-])c1 409137246 WDDBULUWNNJKPZ-UHFFFAOYSA-N 480.575 5.036 5 40 JKBB Cc1c(Cl)cccc1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O 1864934 PDQLJLQKEYCPGV-UHFFFAOYSA-N 453.881 7.219 5 40 JKBB Cc1cccc(-n2c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc3ccccc3c2=O)c1 2624357 RYDAOCVXSDYCOW-OAHLLOKOSA-N 494.960 5.375 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3115211 WFILCXDFEALVDG-UHFFFAOYSA-N 473.228 5.870 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccccc1 8914292 LCEHPXUWQGVJKN-WQRHYEAKSA-N 471.288 5.858 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccs2)N1Cc1ccccc1 9907578 OENPERMUJDYSOE-VWLOTQADSA-N 455.539 6.018 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 10187653 XITCMQBUEMFHGG-RMKNXTFCSA-N 452.442 5.124 5 40 JKBB O=C(O)c1cc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc2ccc(Br)cc12 28357392 CWAIISVONWYSGK-VOTSOKGWSA-N 465.259 6.034 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223403358 IVBFWPNYAXUHGV-LOSJGSFVSA-N 486.553 5.431 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1 408575480 WIKHDZGIRRYSFW-NRFANRHFSA-N 495.373 6.235 5 40 JKBB Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c(Br)c1 811357 FRHDKLRRNQLKJQ-STZFKDTASA-N 480.318 5.075 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(Cl)ccc2C)cc1 2247290 OTRQIBGHLLTKAR-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN([P@](=O)(OCC(F)(F)F)Oc3ccc(Cl)cc3)CC2)cc1 8386562 FBKZPYMAROPPKT-HKBQPEDESA-N 479.779 5.136 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 8832439 VUZIFDJMVTZAQT-CYBMUJFWSA-N 467.547 5.419 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc(Cl)ccc1[N+](=O)[O-] 8872264 SFIQAUQEELPSSW-UHFFFAOYSA-N 463.902 5.855 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1 10060369 XSBOXBSDUWJRTP-VXKWHMMOSA-N 459.893 5.221 5 40 JKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)Nc2nc4c(s2)CCCC4)ncnc13 13086144 SUWCCXNXCXEDQZ-UHFFFAOYSA-N 477.640 5.767 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ncccc5o4)c3C)o2)c([N+](=O)[O-])c1 16291387 TYIXAKCZFBZDLO-UHFFFAOYSA-N 454.442 5.927 5 40 JKBB CC[C@H](c1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1)n1cc(Cl)cn1 22532660 BPFKMYMNMIWLNL-SNVBAGLBSA-N 451.865 5.064 5 40 JKBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223446032 GMZYFTCXYNFXGF-LOSJGSFVSA-N 486.553 5.431 5 40 JKBB COc1ccc2nc3sc4c(SCC(=O)N5CCCc6ccccc65)ncnc4c3cc2c1 1327833 BUSRCUQYEGWNPB-UHFFFAOYSA-N 472.595 5.473 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3cc(Cl)cc(Cl)c3)c2ncn1C1CCCC1 2252632 ZESMLPIELRSVBJ-UHFFFAOYSA-N 450.329 5.706 5 40 JKBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2423520 PDVIHPDXUYXXOW-UHFFFAOYSA-N 468.344 5.017 5 40 JKBB Oc1c(Br)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Br 3090107 GEHVETORCWDUNG-UHFFFAOYSA-N 468.148 6.767 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3255020 CSTORNYILUYGDK-MRXNPFEDSA-N 487.541 5.242 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 8835326 LHEUVSASPHCBSD-UHFFFAOYSA-N 490.541 5.662 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(C)cc1 8990022 BUWRQQSYIUOOGK-XKZIYDEJSA-N 472.497 5.534 5 40 JKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)c5ccccc5)nnc34)c2c2c1CCC2 9487246 ZHWJWCUGTVBERZ-UHFFFAOYSA-N 473.627 5.549 5 40 JKBB Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2cc1C 10120402 KGXKYASMJHODSH-UXBLZVDNSA-N 461.905 6.003 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[N+](c1ccccc1)=Cc1ccc([N+](=O)[O-])cc1[N+](c1ccccc1)=C2 95469115 OVWMSADNNBFIMU-UHFFFAOYSA-N 450.454 5.724 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 408571094 NMCAHYOGVPJKBU-DEOSSOPVSA-N 495.004 6.227 5 40 JKBB O=C(O)c1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 408755275 CSLKOUZVVLYQGY-UHFFFAOYSA-N 487.855 5.644 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408756918 KMPVLMHIUDPVHS-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1)c1ccccc1 408992536 SIFVRFBDZYZDFO-MYKRZTLLSA-N 462.505 6.285 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl 1509494 DDRSQVBUICERBZ-UHFFFAOYSA-N 463.902 5.855 5 40 JKBB CCCN(CCC)C[C@@H](O)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccccc12 8648974 ZMRWWRVSRZGMHZ-OAQYLSRUSA-N 457.458 7.186 5 40 JKBB CCOc1ccccc1OCc1ccc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)o1 13644029 FYAZUDHOBOVAOI-UHFFFAOYSA-N 471.542 5.742 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)o1 14132046 NASJDQAZSMIRKI-ZVHZXABRSA-N 486.505 6.253 5 40 JKBB O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2 22572906 WVYMMABOWVFYNN-HXUWFJFHSA-N 463.902 5.335 5 40 JKBB Cc1cc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)n1C(C)C 22617970 UHTQIYDXHXTOLI-UHFFFAOYSA-N 497.935 5.539 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224254798 FPBYXGRFAZPVDA-RPWUZVMVSA-N 456.527 5.735 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 408574010 UJWVNKZOQUCUAE-XMMPIXPASA-N 494.548 5.413 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 408647150 WLJXSNMGSPAEPE-SFHVURJKSA-N 475.501 5.004 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 409182725 OLGVCADBBDBQQT-LJAQVGFWSA-N 488.499 6.591 5 40 JKBB O=C(CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 6474676 TWADHPDNBCZLFX-UHFFFAOYSA-N 495.948 5.139 5 40 JKBB COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 8836552 VNLGKTVCIIXHRS-NGSHPTGOSA-N 460.917 5.245 5 40 JKBB O=[N+]([O-])c1ccc(Cl)c([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9158075 CFHCJBNUSCKKNS-AUSIDOKSSA-N 484.295 5.873 5 40 JKBB O=[N+]([O-])c1ccc2sc(SCc3nc4ccc(Cl)cn4c3Br)nc2c1 9235868 JPGXECLBJCBMRP-UHFFFAOYSA-N 455.746 5.560 5 40 JKBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(Cc2cccc3ccccc23)c2ccc(Cl)cc2)c1 13527958 VMRDWRAEJSDWNX-UHFFFAOYSA-N 487.364 6.450 5 40 JKBB O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13787252 GTIWCDBYJAWIOT-AUSIDOKSSA-N 494.301 5.328 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(Cl)cccc1Cl 16196257 BCGYBIUPAAEDJX-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB CCc1ccc(OCCNc2cc(NCCOc3ccc(Cl)cc3)ccc2[N+](=O)[O-])cc1 22001944 GHAXIBFNSJRMJV-UHFFFAOYSA-N 455.942 5.792 5 40 JKBB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57316214 PMSOLHJUTLPTST-UHFFFAOYSA-N 450.863 5.918 5 40 JKBB O=C(N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccco1)C(F)(F)F 102538412 MRHQHQDNGKUIQB-CMJOXMDJSA-N 497.429 6.300 5 40 JKBB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H]([N+](=O)[O-])[C@H]2C1 118931958 LKHJDALEYCAKSL-NRDPMAAJSA-N 475.714 7.295 5 40 JKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224906360 VPKATHOOARWANZ-MRXNPFEDSA-N 492.403 5.310 5 40 JKBB CC1CC[N+](CCc2ccccc2)(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226068957 MENOZPWPGACXPZ-TUMBJYRUSA-N 466.730 6.630 5 40 JKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2268824 FRMQUUIHOFIKFB-UHFFFAOYSA-N 489.579 6.575 5 40 JKBB COc1cc(C2SCCS2)cc([N+](=O)[O-])c1OS(=O)(=O)c1cc(Cl)ccc1Cl 2570611 QVUHJFHZEYCVGU-UHFFFAOYSA-N 482.388 5.157 5 40 JKBB Cn1c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)nc2c([N+](=O)[O-])cccc21 8387184 SVCIDXLBDONIET-UHFFFAOYSA-N 483.551 6.759 5 40 JKBB CCC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc43)c2C1 8766434 QKSIJQJGBNDHSE-KRWDZBQOSA-N 492.597 6.836 5 40 JKBB COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cccc(Br)c1 8984186 WQIANHKSNHRGLL-RWEWTDSWSA-N 494.301 5.597 5 40 JKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 12437093 AANPZYPSFOYWBD-XMMPIXPASA-N 457.515 5.105 5 40 JKBB O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214908600 FOUALQIOICMUCE-XQNSMLJCSA-N 476.510 5.289 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223998160 DQBUQQFDGTZMDF-JWQCQUIFSA-N 499.552 5.385 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1 408569069 IPHNILGDYLZWBV-NRFANRHFSA-N 495.373 6.317 5 40 JKBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408764155 SCACHMPNXOLOAL-SALAOISXSA-N 472.500 5.658 5 40 JKBB CC(C)(C)n1ccc([C@@H]2C[C@@H](COc3ccc([N+](=O)[O-])cc3)N[C@H]2c2ccc(C(F)(F)F)cc2)n1 2037844378 UPUQWBXYSJGOJK-HARLFGEKSA-N 488.510 5.831 5 40 JKBB Cc1cc(Br)c(C(C)C)c(Br)c1OC(=O)c1cccc([N+](=O)[O-])c1 8762508 CGXAAYJEWUDWAZ-UHFFFAOYSA-N 457.118 5.771 5 40 JKBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc(Cc2ccc3c(c2)OCO3)c1C 9390657 SDRLRPLPVPSIIG-CSKARUKUSA-N 494.525 5.113 5 40 JKBB CC(C)c1nc2sc3c(ncn4c(SCc5ccccc5Cl)nnc34)c2c2c1CCCC2 9461396 IIWXHFQBZJQDKJ-UHFFFAOYSA-N 480.062 6.835 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc2)c([N+](=O)[O-])c1 12311755 NODJWCWFRCHRSC-DEOSSOPVSA-N 476.504 5.777 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2)c([N+](=O)[O-])c1 12564929 ZLUZFZVQNQWYAA-JOCHJYFZSA-N 473.312 5.676 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 84517660 OICFMWBDNMEDPC-GXEBGIDYSA-N 471.944 6.685 5 40 JKBB O=C(Nc1ccccc1C(=O)N1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 408686773 SUAMGBQQIMPRGO-VGNMNXCYSA-N 491.503 5.296 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c(C)c1 409178274 GBWNZDDXSUECFO-CIAFOILYSA-N 477.498 5.147 5 40 JKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 409211416 JBEAQXGEVDFBPV-IUXPMGMMSA-N 480.329 5.139 5 40 JKBB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 11866749 ARKVFMDAGXQNMH-QHCPKHFHSA-N 459.498 5.193 5 40 JKBB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12819593 CHUGAMPOSJZOCP-CYBMUJFWSA-N 481.862 5.200 5 40 JKBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 13402574 VYEOHMXBLIEAPS-IYBDPMFKSA-N 464.430 5.339 5 40 JKBB biogenic CCc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1 15134687 IRRPFXKRBHSXMR-JOCHJYFZSA-N 453.336 6.346 5 40 JKBB CN(c1ccc(Br)cc1Br)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F 31494217 VHPTYDIRFNMYKI-UHFFFAOYSA-N 499.037 5.815 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205698958 MGDIMRBLFURNSL-VXLYETTFSA-N 475.309 6.398 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223365075 DWSZQXMDQHVEHF-PKTZIBPZSA-N 476.514 5.024 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223908393 MSNCLIWOUGEEPQ-RPBOFIJWSA-N 484.585 5.024 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1ccccc1)c1c[nH]c2ccccc12 408577287 YYCGFVNGLMFIJT-OAQYLSRUSA-N 451.320 5.918 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)S2)cc1 408769144 OVDXOXGOLDQOGN-LWUPDDLQSA-N 461.543 5.336 5 40 JKBB Cc1ccc(N2C(=N)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])c(Cl)c4)o3)C2=O)cc1C 408975471 KSRXDFHPNVVLKW-IBMPOVEYSA-N 453.907 6.181 5 40 JKBB CC(=O)c1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 409336047 QSISXEFSSQPZME-UHFFFAOYSA-N 474.549 5.891 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1 2249491 VJESZQZQWHAIPX-UHFFFAOYSA-N 473.580 5.983 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Cl)cc1 2251073 UDPZINQDIIRXPP-UHFFFAOYSA-N 472.335 5.639 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4c(F)cccc4F)cc3c3ccnc2c31 8792255 ABFMKYWKVCPHOW-UHFFFAOYSA-N 472.447 5.466 5 40 JKBB biogenic COc1ccc2c(c1OC)c(=O)n1c3ccc(OC/C=C/c4ccccc4)cc3c3ccnc2c31 8792397 CPRKDGFSPYGGOZ-RMKNXTFCSA-N 462.505 5.701 5 40 JKBB biogenic COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1[N+](=O)[O-] 8861318 OAQGQBZDYFPKCZ-UHFFFAOYSA-N 456.454 5.167 5 40 JKBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 9358142 IVDRVLCURNZVJA-LJQANCHMSA-N 468.252 5.153 5 40 JKBB CC[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc([N+](=O)[O-])cc1)c1ccccc1 9391366 FGZCBBLIVQSFTQ-ZCYQVOJMSA-N 490.556 5.311 5 40 JKBB CCCCCC(=O)Oc1cn(Cc2ccco2)c2nc(CCCCC)n3c4ccccc4nc3c12 9540760 LDBXITUEMLATFB-UHFFFAOYSA-N 472.589 6.697 5 40 JKBB CC(C)[C@H](NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 13095979 NAQJMOLPUROWDZ-VWLOTQADSA-N 496.560 6.174 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc2ccccc12 14132047 VJGIQSSKWAIXEH-OEAKJJBVSA-N 456.479 6.245 5 40 JKBB CCN(Cc1ccc(OC)cc1)c1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1[N+](=O)[O-] 15833807 PQFDHECHUJGCSK-UHFFFAOYSA-N 490.516 5.364 5 40 JKBB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 16656163 GZXBZZXETUXRHM-INIZCTEOSA-N 454.555 5.208 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 22714131 IFLBWWJFQIUMJL-RIYZIHGNSA-N 477.948 6.450 5 40 JKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)CC1 72230008 TYJHSUVKOFQYHD-VWLOTQADSA-N 479.964 5.819 5 40 JKBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223446321 FNQASHCNXUWEIF-JWQCQUIFSA-N 486.553 5.431 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224616885 CDDBMLILDHTNSJ-PKTZIBPZSA-N 458.499 5.133 5 40 JKBB CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(OC)cc3)c(=O)c2c1C 409129555 HBQHKVGJXCPDSQ-UHFFFAOYSA-N 481.599 5.917 5 40 JKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc(Cl)c1 409180758 ZXBFXALDRCVAQQ-UHFFFAOYSA-N 454.866 5.503 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 409184191 XWSJOMFJKNVFIA-MHZLTWQESA-N 451.478 5.894 5 40 JKBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC 2337191 QDIXKEGDBTYJGN-MRLUPLGUSA-N 490.943 5.253 5 40 JKBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2372529 BZWZIROYHVKABV-UHFFFAOYSA-N 475.552 6.266 5 40 JKBB O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccc(Br)cc4)=Nc4ccc([N+](=O)[O-])cc4N32)cc1 8398028 ILALARCXWHALIM-LDJQHZOJSA-N 465.263 5.330 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CCCCC1 9464037 LIRFSWHTUCSZDT-OAHLLOKOSA-N 499.568 5.626 5 40 JKBB O=[N+]([O-])c1cc(COc2cc(Cl)c(Cl)cc2Cl)ccc1Sc1nc2ccccc2s1 12961435 KKTHLYBLFPMBAX-UHFFFAOYSA-N 497.812 7.895 5 40 JKBB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277728 WPRNSOYGCSVPSS-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB CCCCCSc1nnc2c(n1)O[C@@H](c1cc(OCC)c(O)c([N+](=O)[O-])c1)Nc1ccccc1-2 19831995 HZOSWSLKGRRSTL-NRFANRHFSA-N 483.550 5.337 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(F)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1 20611143 YCEPXYUARDTANO-UHFFFAOYSA-N 471.448 5.597 5 40 JKBB O=C1S/C(=C/c2ccn(-c3cccc([N+](=O)[O-])c3)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 22710113 MXFIHEXEWXUEST-DJKKODMXSA-N 474.325 5.929 5 40 JKBB C[C@@H](OC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 104006329 NHHNREGQZWMZFL-ZHPNZGNWSA-N 490.354 5.373 5 40 JKBB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br 408600041 RVMWNZSVSYQMCG-GRSHGNNSSA-N 491.363 5.629 5 40 JKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 409348719 SGWZIFAXTBEGSY-CIAFOILYSA-N 477.498 5.147 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3ccccc3Cl)nc2N1 940786 BRFVOJWUVASFGX-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB Cn1c(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nnc1-c1ccccc1F 3317827 OISZAZFQOQMLOK-HXUWFJFHSA-N 497.939 5.655 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc3c2OCO3)cc1/C=C/c1cccc2c1OCO2 3845213 JWWKSWHNXWATAH-FIFLTTCUSA-N 460.398 5.301 5 40 JKBB COc1ccccc1NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(-c2ccccc2)c1C 4195850 IRENDQMOYFEQPT-UHFFFAOYSA-N 487.537 6.145 5 40 JKBB CN1c2ccc([N+](=O)[O-])cc2N(C)[C@@]1(C)c1ccc([C@]2(C)N(C)c3ccc([N+](=O)[O-])cc3N2C)cc1 8398570 MXKRSFFNSOGPGH-WMPKNSHKSA-N 488.548 5.021 5 40 JKBB CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 9703451 XWPKKFYVHATYBT-OXJNMPFZSA-N 496.593 5.129 5 40 JKBB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9971265 STGKMOPWKIUUJZ-XMMPIXPASA-N 470.978 5.932 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 10058990 YCDZDIQXEWXQDV-ZSEKCTLFSA-N 451.548 6.496 5 40 JKBB CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 12707585 SLSMTOCWWMLYME-UHFFFAOYSA-N 465.307 5.190 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 20353420 YZSWLCCPJZNIMM-RBBXRFMQSA-N 475.932 7.222 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-] 21123753 FLLRXWBMVGHAIA-SOFGYWHQSA-N 457.826 5.385 5 40 JKBB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224779997 YDTBNWQNCIHLDZ-RPWUZVMVSA-N 487.610 5.657 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12 408556792 KNFUNUYKNGYLPG-UHFFFAOYSA-N 462.933 6.991 5 40 JKBB CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)o1 408631515 JXBWMBAJXCIORB-MHWRWJLKSA-N 463.924 5.563 5 40 JKBB O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 409181811 FKMHBDOYDZTYAJ-SANMLTNESA-N 480.476 5.628 5 40 JKBB O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 3262074 YEYLZXIDQBVZTN-OAQYLSRUSA-N 492.837 5.733 5 40 JKBB Cn1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3n2C)c1-c1ccc([N+](=O)[O-])cc1 12643329 JJQRHBDOPQLRJG-UHFFFAOYSA-N 454.446 5.124 5 40 JKBB COc1cccc(N(C(=O)CCC2CCCC2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 13149245 GRJVPTBLYYYIST-UHFFFAOYSA-N 451.548 6.362 5 40 JKBB O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1 32114883 IJKNIGFZNZHQOR-UHFFFAOYSA-N 488.859 5.461 5 40 JKBB O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 59489673 HKIXMAFYSDXFGC-UHFFFAOYSA-N 497.557 6.451 5 40 JKBB Cc1c(O)ccc2c1oc1c(-c3ccc(O)cc3)c3c(O)nn(C4CCCCCCC4)c3nc12 79501467 ZHUDWGOXDKCIRB-UHFFFAOYSA-N 457.530 6.708 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 214604506 CNVXPZAWPMWTQX-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 408552994 MKKJTFJHRPZWFG-UHFFFAOYSA-N 471.307 5.506 5 40 JKBB CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 2094855 INKANOPTSQXOQC-QFIPXVFZSA-N 465.535 5.173 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 2251163 LYGLLMPCSDCBQD-UHFFFAOYSA-N 474.908 5.269 5 40 JKBB COc1c2c(cc3c1[C@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 9033282 DOTASAVNOLKOGW-PNTFMKQHSA-N 494.696 6.125 5 40 JKBB biogenic O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4F)n3CCc3ccccc3)c1)OCOC2 9442803 IJFQZUAKWYMGII-UHFFFAOYSA-N 492.532 5.394 5 40 JKBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 13633050 YRXCBOUARZVVRM-UHFFFAOYSA-N 475.332 5.069 5 40 JKBB COc1ccc(Nc2nc(/C=C/c3ccccc3)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 16217173 LHYQUIFQHYEKJV-CAOOACKPSA-N 469.501 6.060 5 40 JKBB O=C(Nc1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 27015848 JDCIXABUDINZDG-UHFFFAOYSA-N 484.946 5.938 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 33943322 TXESVRZNOYGDHE-UHFFFAOYSA-N 457.515 5.153 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224378136 KSSRULBACFGCLS-FTJBHMTQSA-N 483.597 6.081 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 408728144 WDOKHXGLAZCXAR-MTJSOVHGSA-N 466.902 6.068 5 40 JKBB CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O 408756905 KEPPSBLEDGNFQV-UHFFFAOYSA-N 471.900 6.508 5 40 JKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408995309 LYCMUJXLNSTRDX-ZXRKZBAXSA-N 492.531 6.343 5 40 JKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 409343263 DRFBAVANIJGTBZ-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 2031345 VZUBXWFYDJYOLZ-UHFFFAOYSA-N 482.452 5.675 5 40 JKBB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6442726 COZLNLFHPQQGIS-GOSISDBHSA-N 489.557 5.182 5 40 JKBB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3c2C1 8974213 OUFKNHCIQLVDCO-MRXNPFEDSA-N 456.564 5.991 5 40 JKBB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9007579 RGMNHAFWFHDJKK-LADGPHEKSA-N 494.345 5.998 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](Sc1ncnc2ccccc12)c1ccccc1 9539639 OYTCGUSLYWWAEN-HXUWFJFHSA-N 495.358 5.773 5 40 JKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)Nc1ccc(F)c(F)c1F 12542750 PESAVHFJEHDPFF-UHFFFAOYSA-N 476.411 5.221 5 40 JKBB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 16044263 IEZPACDDBKEHPM-UHFFFAOYSA-N 479.920 5.965 5 40 JKBB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16399979 MAINKNPWMVWVPC-UHFFFAOYSA-N 458.908 5.245 5 40 JKBB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22715401 FUJUAEYFGMDZIF-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]([N+](=O)[O-])[C@H]2C1 123235690 LKHJDALEYCAKSL-OAQJTHNDSA-N 475.714 7.295 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 224623643 ZSVZKWBFZZDXDG-DHIUTWEWSA-N 458.499 5.133 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408812383 MVZDGGKQJLIQQX-NVMNQCDNSA-N 493.335 5.001 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccc(Cl)c1 408836776 VKMSGMPLIYDNFU-UHFFFAOYSA-N 470.337 6.944 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409009548 GCSNXBNOCVNEAA-PVGUKEHMSA-N 490.965 6.061 5 40 JKBB COc1ccc([C@@H](Nc2cccc([N+](=O)[O-])c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 1823243 JPYBUJLSSWWVLP-SANMLTNESA-N 490.452 7.065 5 40 JKBB C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2c(Cl)cccc2Cl)n31 2445742 TZBXGIGGIHUHDY-JTQLQIEISA-N 475.430 5.711 5 40 JKBB O=C1N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 9260704 YKMZTYWDHHRYLL-DEDYPNTBSA-N 494.301 5.034 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 20353310 PLUCLYQXDZMVJF-HNNXBMFYSA-N 474.542 6.043 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N1CCc2ccccc21 44087610 BAVQCMRXYQVKNL-UHFFFAOYSA-N 490.972 5.782 5 40 JKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2cccc(C(F)(F)F)c2)c1 44087833 LMQCOBMPUXBYGG-UHFFFAOYSA-N 455.461 6.759 5 40 JKBB COc1cc(OC)c(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1OC 79493747 HMBWVEOHCBARGC-UHFFFAOYSA-N 463.490 5.324 5 40 JKBB O=[N+]([O-])c1cccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)c1 102690309 NIDDOFJRFLLDEL-IRLDBZIGSA-N 474.731 6.797 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 224278697 AYNZWEIUJWPMOS-LOSJGSFVSA-N 469.570 5.574 5 40 JKBB O=C(Nc1cccc(I)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408622565 RFAMNLFJSHQIBA-UHFFFAOYSA-N 468.634 5.365 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408757726 PLCSXTBMNNWTEY-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1CNc1ccc(Oc2ccccc2)cc1 409115773 HDRXUDBRCAOOHC-UHFFFAOYSA-N 480.442 7.810 5 40 JKBB O=C(Nc1cccc2ccccc12)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409336379 OLEVEKHJUGRVSN-UHFFFAOYSA-N 451.489 6.285 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2418932 LEBQPRPTBZYJHB-UHFFFAOYSA-N 490.405 5.935 5 40 JKBB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1cc([N+](=O)[O-])ccc1Cl 3430869 ATTKDYWDWLDLLT-UHFFFAOYSA-N 456.936 5.651 5 40 JKBB COc1ccc2oc(-c3cccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nc2c1 8591139 SBILVVJBITVAMK-UHFFFAOYSA-N 479.901 6.532 5 40 JKBB COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 9391342 VQXLHMYYSCMOTR-VWLOTQADSA-N 490.556 5.554 5 40 JKBB Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)c1 9669739 UNGQEEVHASUIKG-UHFFFAOYSA-N 467.532 5.116 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(F)cc2Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13063424 IEDOLBZZQRAKKB-UHFFFAOYSA-N 457.266 5.634 5 40 JKBB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1 20460947 KOKAZHMXDUNNGX-UHFFFAOYSA-N 452.532 5.065 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32115174 ZIRDQRIEAGQRCD-UHFFFAOYSA-N 474.498 5.029 5 40 JKBB O=C(Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1)c1ccc([N+](=O)[O-])cc1 59461296 PYSXNIRIFLVSOZ-UHFFFAOYSA-N 490.393 7.056 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224245406 RYOXJGODGZGYHI-BJKOFHAPSA-N 455.543 5.266 5 40 JKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225352964 KKWJOPIUFCYVDR-CLJLJLNGSA-N 499.596 5.745 5 40 JKBB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc1C2 409054123 MTZINOCHRUJYHV-UHFFFAOYSA-N 480.727 5.299 5 40 JKBB O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)NCCc1c[nH]c2ccccc12 2581769 CALGIUMZIRCWKZ-WUXMJOGZSA-N 477.973 6.253 5 40 JKBB COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1CSc1ncccn1 3343011 CXBCIDMVVFFJHB-UHFFFAOYSA-N 480.549 6.568 5 40 JKBB COc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC(C)C)c(C)oc3c3ccccc23)cc1[N+](=O)[O-] 4013120 BAORETIHGXPNLH-UHFFFAOYSA-N 498.513 5.177 5 40 JKBB CCCCCCN(CCCCCC)[C@@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 4428641 RVSFSXIOJOWXMC-PZGXJGMVSA-N 498.549 8.640 5 40 JKBB COc1cc(C(=O)N2c3ccccc3NC(=O)C[C@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9885233 AKDLPJBQVNWSTG-CQSZACIVSA-N 481.892 5.427 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl 14278343 ZMDRJKLJINJBFI-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 15303991 ZRUQTOCFRPSGRQ-UHFFFAOYSA-N 471.218 6.965 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Cl)cc1 20111129 SZHNXVFLBDKFTO-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 408599745 JZOQLMHXPOWISP-UHFFFAOYSA-N 477.933 5.498 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccccc1 409225028 LQIPTPSPQNLFMJ-UCQKPKSFSA-N 474.494 5.093 5 40 JKBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1ccc(F)c(Cl)c1 2070194 NASLYTIMQVSCTI-UHFFFAOYSA-N 459.817 5.659 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cc(C)ccc2C)c1C 2772063 AQIKCRGBQHVRNF-UHFFFAOYSA-N 481.530 5.263 5 40 JKBB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 14271120 ZNRBWTAXANIBCU-UHFFFAOYSA-N 452.536 5.136 5 40 JKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl 14277527 ZQVRDIYLSBRSLS-UHFFFAOYSA-N 478.744 7.084 5 40 JKBB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CC2 14356817 XJKHLNRAAMUERS-ACCUITESSA-N 491.297 6.351 5 40 JKBB O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4o3)c(Sc3nc4ccccc4o3)nc2c1 16545289 GANKLRRIIVWSFB-UHFFFAOYSA-N 473.495 6.123 5 40 JKBB Cc1noc(C[C@H](CC(=O)c2ccccc2OCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] 19872778 FBIHLDDMVCUKFR-QFIPXVFZSA-N 456.498 6.070 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cn5nc(C(F)F)cc5C(F)F)nc34)c12 22707430 QDBNKSFIPCJIGU-UHFFFAOYSA-N 471.390 5.253 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 36319059 AEMQDLSNILVURF-GFXAMXPBSA-N 499.592 5.030 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(OC)cc1 102500005 GDRGSFMPKPNDGM-OLILMLBXSA-N 497.551 6.564 5 40 JKBB Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)cc2)cc1 139142926 FQXPADSUPJDYGL-UHFFFAOYSA-N 467.481 6.200 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1Cl 214077229 CDRGUUZWPDJDRN-LPYMAVHISA-N 480.929 6.064 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223877105 HNQVGNOZMFMGIX-RPWUZVMVSA-N 488.525 5.141 5 40 JKBB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)C1 408974786 DWXWQOUVHQAFKV-MRXNPFEDSA-N 477.659 5.275 5 40 JKBB Cc1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)c2)cc1C 2030873 WBPPWKISRYIBSJ-UHFFFAOYSA-N 480.476 6.597 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2ncn1C1CCCCC1 2360707 BNCNTRWBSMXXQM-UHFFFAOYSA-N 474.908 5.350 5 40 JKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 2383208 HTBKFQGLVNNPBS-HSZRJFAPSA-N 489.524 5.435 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1cc(F)c(F)cc1Cl 3100990 FFHAQAILEFBOAA-UHFFFAOYSA-N 467.837 5.003 5 40 JKBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)c1 8951407 MQWOWGOBBSHSBS-UHFFFAOYSA-N 489.435 5.101 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1cccc([N+](=O)[O-])c1 9518366 IYPWICUPYWGFEX-UHFFFAOYSA-N 485.374 5.744 5 40 JKBB Cc1ccc(Nc2ccc(C(=O)c3sc(N4CCCCC4)nc3C)cc2[N+](=O)[O-])cc1C 12632911 AGWHXOGTNFGRIQ-UHFFFAOYSA-N 450.564 5.941 5 40 JKBB O=C(Nc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1cccc(Cl)c1 13371644 PXDHZVMLLCEIQT-UHFFFAOYSA-N 461.861 6.013 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14278377 SFAWRAFUVRBTFK-UHFFFAOYSA-N 480.883 6.048 5 40 JKBB COc1cc2nc(SCc3ccc(C)cc3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 20216196 BYNSTAYYQKJENK-UHFFFAOYSA-N 487.541 5.471 5 40 JKBB C[C@@H](OC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 103491819 NBAOJBVEXFFDTM-NZBQLKCUSA-N 499.789 5.242 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 106708566 RLIPYDVOFNMZTF-QFEZKATASA-N 483.549 6.143 5 40 JKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225726140 LBGZDRSCKVKESQ-FOIQADDNSA-N 480.392 5.166 5 40 JKBB CCc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409095555 HRJVHXDHEIRQNK-UHFFFAOYSA-N 484.503 6.499 5 40 JKBB CCOc1ccccc1/C=C/c1cc(/C=C/c2ccccc2OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 1714435 LCGDFKVPGMGRPZ-WXUKJITCSA-N 460.486 6.641 5 40 JKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833010 NIRSXGLCFLIZBZ-UHFFFAOYSA-N 487.796 5.672 5 40 JKBB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc([N+](=O)[O-])cc5)c(N)c24)CCCC3)cc1 8927814 NCPRACOLPUHRDO-UHFFFAOYSA-N 458.543 5.893 5 40 JKBB COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2Br)cc1 8959148 LYYCKDTZHSWKAB-BZZOAKBMSA-N 494.301 5.597 5 40 JKBB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2s1 22529485 IAYLKCAYHNAQGC-UHFFFAOYSA-N 450.476 5.455 5 40 JKBB COc1cc2sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc2cc1Cl 32127146 OHIHFRKIGZANOY-UHFFFAOYSA-N 488.934 5.253 5 40 JKBB CSc1ccc(CN(Cc2ccc(SC)cc2)[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 32925376 VPUICQZXBVWLTH-RPBOFIJWSA-N 484.643 5.135 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)/C(=C\COc1ccc3ccccc3c1Br)O2 32931800 ZTMQNHWQGYRVGS-WJVILSIQSA-N 497.345 5.239 5 40 JKBB O=[N+]([O-])c1ccc2nc(Sc3nnc(COc4ccccc4)n3-c3ccccc3)sc2c1 59432015 NMAIGDLWUUBQCZ-UHFFFAOYSA-N 461.528 5.515 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408608973 NHPWNBHSKVBTMI-UHFFFAOYSA-N 481.763 7.145 5 40 JKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 408979041 BOECPPRKRHJFOU-UHFFFAOYSA-N 487.522 5.174 5 40 JKBB Cc1cc(OC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc2oc(=O)c3ccccc3c12 1108122 OXFNVRMYAUABDW-DEOSSOPVSA-N 459.498 5.111 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCCOCC)cnc32)cc1 2436918 HMNXEOZENLBTNZ-UHFFFAOYSA-N 455.562 5.053 5 40 JKBB O=c1cc(CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)c2c(ccc3ccccc32)o1 3325214 KKSIXYKDHHSFEL-UHFFFAOYSA-N 482.992 7.290 5 40 JKBB CCCCC(=O)Oc1cn(Cc2ccccc2Cl)c2nc(CCCC)n3c4ccccc4nc3c12 9124131 HJSUMBGMFHZLGM-UHFFFAOYSA-N 489.019 6.977 5 40 JKBB COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 9209972 OPXXCTJNJCCGJO-HSZRJFAPSA-N 490.899 5.151 5 40 JKBB Cc1c(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cccc1[N+](=O)[O-] 14274514 VNLIDXFHRKUMMR-PKNBQFBNSA-N 476.341 5.996 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1Br 20847235 WMFSUTUJDJKXCY-UHFFFAOYSA-N 454.689 5.036 5 40 JKBB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2OCc2ccccc2)cc1 89991191 SZHBDKJSMCMOBX-UHFFFAOYSA-N 462.911 5.027 5 40 JKBB CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 215005235 UMRJWOFGDABDSG-LICLKQGHSA-N 493.335 5.001 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc([N+](=O)[O-])c1 409051651 BVRPYVXIOVKRHS-UHFFFAOYSA-N 464.434 5.685 5 40 JKBB O=C(Oc1cccc2c(OC(=O)c3cccc([N+](=O)[O-])c3)cccc12)c1cccc([N+](=O)[O-])c1 1312615 CCKHPQQQKKKRLK-UHFFFAOYSA-N 458.382 5.095 5 40 JKBB CC(=O)Nc1ccc(Nc2nc(/C=C/c3ccccc3)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1 9185668 XUVPDIJWEMGJHX-QGOAFFKASA-N 480.528 6.025 5 40 JKBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 9495315 ABMHMGBZJKXZHT-OAQYLSRUSA-N 474.275 5.225 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12804763 YXFHJLBZOCSGIT-AWEZNQCLSA-N 489.488 5.336 5 40 JKBB O=C(Oc1ccc2c(c1)OCO2)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13140786 JDMFQABETJUPKA-UHFFFAOYSA-N 463.389 5.713 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 16268094 JZIADHQATXXOKK-UHFFFAOYSA-N 483.308 5.564 5 40 JKBB Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)CC2=O)cc1 16292918 USEDSWUCQARZAV-SFHVURJKSA-N 480.904 5.445 5 40 JKBB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1cc([N+](=O)[O-])ccc1Cl 16492523 TUEVNQGHQCZZIX-UHFFFAOYSA-N 450.907 5.589 5 40 JKBB O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 20195588 OIXDXFGONSOLNM-UHFFFAOYSA-N 458.714 5.071 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)c2C(N)=O)C1 21596044 NCEPRHFRNFPIBG-SNVBAGLBSA-N 492.022 6.027 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 22746470 FAZYJPFBDWTHPD-OAHLLOKOSA-N 488.569 6.352 5 40 JKBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)CC1 57313796 NOYVTYBOIYDITR-UHFFFAOYSA-N 486.981 5.020 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 59433369 WWTDWXUBCMMRJT-QQNJPBSNSA-N 458.901 5.209 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1 102765503 JRARFLXUKCVKRZ-ZONZVBGPSA-N 491.503 5.313 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]12 408919640 ZLVBFZBJBQIABB-QDBPJBAASA-N 452.510 5.172 5 40 JKBB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409353222 ZFCPREZQAXTAJN-LPYMAVHISA-N 462.483 5.066 5 40 JKBB CCc1nc2c(c(=O)n1[C@H](C)c1ccccc1)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2314455 QZCGAFDJFDOTSA-GOSISDBHSA-N 475.552 5.464 5 40 JKBB Cc1c(OC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)ccc2c1oc(=O)c1ccccc12 2399416 LRBSQUNJRNFYIY-SANMLTNESA-N 493.515 5.828 5 40 JKBB CCc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 6150857 QSSZFDHCIJNUBN-UHFFFAOYSA-N 461.953 5.164 5 40 JKBB CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(OC)cc2)cc1 8684627 ZOCOSCXSMZRKFT-UHFFFAOYSA-N 462.531 5.542 5 40 JKBB O=[N+]([O-])c1ccc2nc(Sc3nnc(Cc4cccc5ccccc45)n3-c3ccccc3)sc2c1 8857474 BPIZOKZESXSZDE-UHFFFAOYSA-N 495.589 6.680 5 40 JKBB CCCCCC(=O)Oc1cn(C2CCCCC2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124337 SWMLBKQYXZYLCT-UHFFFAOYSA-N 474.649 7.561 5 40 JKBB CCCCC(=O)Oc1cn(CCCOCC)c2nc(CCCC)n3c4ccccc4nc3c12 9243402 RCZMROKWQWYNTL-UHFFFAOYSA-N 450.583 5.702 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1 9291936 JRARFLXUKCVKRZ-PFBJBMPXSA-N 491.503 5.313 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2cccc(Cl)c2)c1C 13424289 WANCKIHAYBGMJY-UHFFFAOYSA-N 487.921 5.218 5 40 JKBB Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1cc2ccccc2oc1=O 14273188 GWSIHSPIBMDIQA-UHFFFAOYSA-N 466.449 6.189 5 40 JKBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139640 KJIWTKAPQTZNHO-UHFFFAOYSA-N 463.298 6.121 5 40 JKBB Cc1ccc(-c2nn(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c(C)c1 20357079 DXJCYACCJXETOE-UHFFFAOYSA-N 454.530 5.568 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5cc(Cl)ccc5o4)cc3)cc2[N+](=O)[O-])CC1 57315662 HEYCMIDGKXPSBX-UHFFFAOYSA-N 490.947 6.545 5 40 JKBB COc1ccc2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCC3)c(=O)[nH]c2c1 79476997 AXQPEPKKRAPHTM-UHFFFAOYSA-N 496.523 5.352 5 40 JKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)ccc1OCC(C)C 79501884 YPUDGQVRHQIECW-UHFFFAOYSA-N 475.545 6.342 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1Cc1ccccc1 102745599 BRPVDHVWYDPSQO-IDZRBWSNSA-N 484.555 6.040 5 40 JKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224243646 FJDVVUWUYWSYGT-XMMPIXPASA-N 483.634 5.003 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 224418465 CRLFMSXUHQVQOU-DHIUTWEWSA-N 460.490 5.566 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(F)cc1 408571296 OHFILAUUPJFIBZ-QHCPKHFHSA-N 482.512 5.543 5 40 JKBB Cc1ccc(-c2ccc(/C=C(\Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)o2)c([N+](=O)[O-])c1 408632324 DJSQPPDEVKZFTO-ODLFYWEKSA-N 482.905 5.820 5 40 JKBB O=c1cc(-c2ccccc2)oc2cc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])cc(O)c12 1793748 AHLYXCINYVTILA-UHFFFAOYSA-N 488.330 5.793 5 40 JKBB O=C(Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3143536 DBGFKSVDXXKBRM-UHFFFAOYSA-N 482.452 5.734 5 40 JKBB COc1ccc(/C=C\c2cc(/C=C\c3ccc(OC)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 5080555 LXHQHTVWJSTJGP-OZDSWYPASA-N 492.484 5.878 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)n1ccc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 8857167 TXUGKFXKWWZLNI-UHFFFAOYSA-N 468.296 6.033 5 40 JKBB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8900865 HNPNNDGYKJCGEA-UHFFFAOYSA-N 499.354 6.006 5 40 JKBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1-c1nc2ccccc2[nH]1 9090686 HRWYNXHPWAFWAD-FMIVXFBMSA-N 450.401 5.391 5 40 JKBB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccccc1[N+](=O)[O-] 9404448 KWJJHUSUPCMABD-UHFFFAOYSA-N 458.499 5.572 5 40 JKBB Nc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1[N+](=O)[O-] 12650082 JQVOLJQDFGTYES-IBGZPJMESA-N 493.825 5.386 5 40 JKBB Cc1ccc(Cl)c(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)c1 13643757 ZEYAEDZXPSYNLA-UHFFFAOYSA-N 475.961 6.305 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269568 OSKNFPMQIUNDFE-UHFFFAOYSA-N 453.351 5.019 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(Cl)c1 16525916 AUCJOSSYXOFAPF-UHFFFAOYSA-N 496.394 6.836 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C(C)C)cc2)cc1 19856416 MZTKKHKBLRCJEF-UHFFFAOYSA-N 481.574 5.169 5 40 JKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 21580693 SVVBBHNXSUAOPN-UHFFFAOYSA-N 468.469 5.967 5 40 JKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1 22751527 WEEHAHVVNPSWEX-UHFFFAOYSA-N 493.353 5.898 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 35851850 QEKIEKMHKQUNFP-FQJHJXCSSA-N 499.592 5.030 5 40 JKBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c1 59179540 ZDKSEQIDPPFFJH-UHFFFAOYSA-N 476.942 5.373 5 40 JKBB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 224791066 KQLXEOUBZBHWKL-BJKOFHAPSA-N 487.610 5.955 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2Cl)cc1 408553680 BJJDDYLTLQCTHU-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1Sc1ccccn1 408988083 CMDJTODFRYZNLL-UHFFFAOYSA-N 450.545 5.787 5 40 JKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)Nc2ccc(N(C)C)cc2)ncnc13 1327822 KGNIUHGLDSNRMV-UHFFFAOYSA-N 459.600 5.498 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O 3195335 QJOLIOUMLOXHQT-UHFFFAOYSA-N 464.433 5.419 5 40 JKBB O=C(c1ccccc1)c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 9561867 MMVZNMQTTNXPPJ-SFHVURJKSA-N 492.582 5.476 5 40 JKBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N[C@@H]1CCCc2ccccc21 12546971 CYMIVUKHHQMEMO-XMMPIXPASA-N 493.947 5.211 5 40 JKBB O=[N+]([O-])c1ccc(C2=N[N+](=C3C=CC(=C4Sc5ccccc5S4)C=C3)[C@H](c3ccccc3)C2)cc1 13739145 LQUJGRXERAXGBC-VWLOTQADSA-N 494.621 7.133 5 40 JKBB Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 14272034 FRQNINZMRBPHDC-UHFFFAOYSA-N 458.326 6.739 5 40 JKBB O=C(/C=C/c1cccs1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 39762784 JCWWKARWNNWZTC-ZHACJKMWSA-N 477.527 5.079 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294608 JTDQHNMGIRGUSC-UHFFFAOYSA-N 467.865 6.663 5 40 JKBB Cc1c(Cl)c(C)c([N+](=O)[O-])c(-c2c([N+](=O)[O-])c(C)c(Cl)c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] 100099222 WOHNDUMENLKSGU-UHFFFAOYSA-N 459.198 5.527 5 40 JKBB O=[N+]([O-])c1ccc(SCCCCCCSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100985204 ZSJAEGLWXCUCKA-UHFFFAOYSA-N 482.496 5.764 5 40 JKBB O=C(Nc1ccc(C(=O)N2[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 139074444 YPDYVWCGSRFDAD-ACKJMCFBSA-N 491.503 5.296 5 40 JKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 408557378 NATZTIMOMBXTQG-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1 408571882 PUJLBYCYRGLXIW-FQEVSTJZSA-N 481.346 5.927 5 40 JKBB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)c1 409174289 QYXZZNLZZKKDHU-UHFFFAOYSA-N 497.503 6.314 5 40 JKBB COc1cc(-c2nc(O)c3ccccc3n2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409256516 OYQCXTYYEZKVSC-UHFFFAOYSA-N 457.364 5.730 5 40 JKBB C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2623331 SGDVPBRMZSQENQ-ZDUSSCGKSA-N 485.978 5.677 5 40 JKBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 8836049 QAJYSRVFDNYFLS-UHFFFAOYSA-N 459.594 5.174 5 40 JKBB CCc1nc2c(c(=O)n1[C@H](C)CC)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 8836067 LKASKOAUBTYCKL-QGZVFWFLSA-N 485.588 5.088 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 10059807 OCHHDOHLDBNZDH-YADHBBJMSA-N 459.893 5.221 5 40 JKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]3c2ccc(OC)cc2)cc1 12560062 UFCFKLZZPZKKNA-YFOIRRMSSA-N 487.512 5.642 5 40 JKBB O=C(NCc1cccc(CN2CCCCC2)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224646056 NTWQCWVWGGFANB-ZXVVBBHZSA-N 455.558 5.438 5 40 JKBB Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] 408702322 BGDZFRAGTLTVLM-XMMPIXPASA-N 481.961 5.583 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408996176 OMBLEENOPBDNQG-UHFFFAOYSA-N 452.422 5.222 5 40 JKBB O=[N+]([O-])c1ccccc1Oc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3284410 HYRWBQRXIIKTRJ-UHFFFAOYSA-N 469.975 6.826 5 40 JKBB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060346 GORCOXUIUCBZQZ-PKTZIBPZSA-N 489.919 5.230 5 40 JKBB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 21005578 GSVWDSLHHGLUCD-HSZRJFAPSA-N 474.904 5.587 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1 32124915 GZPFGVJJQRAERY-FYJGNVAPSA-N 482.970 6.949 5 40 JKBB Cn1c(=O)c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc2ccccc21 79494967 HSJVZQVMXHENMC-UHFFFAOYSA-N 494.551 6.156 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225252924 PUBLFFYIQBDTSC-VCHYOVAHSA-N 476.942 5.775 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1C 408757251 LLQNFZKWQWRVBA-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]12 408919637 ZLVBFZBJBQIABB-GMMLXXJASA-N 452.510 5.172 5 40 JKBB N=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccc2c(c1)OCO2 408977659 JMLPYPITDGMAQC-XASQNKGUSA-N 469.862 5.293 5 40 JKBB Cc1cc(Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc(C)c1Cl 1775201 VHEWCODZSCRVMF-UHFFFAOYSA-N 465.845 5.983 5 40 JKBB Cc1cccc2c(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(-c3ccc(Cl)cc3)nc12 2322039 OPPQALIRMZGZRH-UHFFFAOYSA-N 495.318 6.465 5 40 JKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)OCc1ccc([N+](=O)[O-])cc1 3261883 CYEZXUOHIOOBMO-SDNWHVSQSA-N 459.889 5.858 5 40 JKBB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3767926 WNRJUPPXWDHCHN-UHFFFAOYSA-N 494.290 7.222 5 40 JKBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 9465447 BOGFZYIANJGOFR-UHFFFAOYSA-N 461.525 5.876 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc12 10010640 VBRWBSNRJISCHU-UHFFFAOYSA-N 464.286 6.032 5 40 JKBB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2ccc2ccccc23)cc1 12487989 UPQBQKWWYZZBEZ-UHFFFAOYSA-N 477.589 6.692 5 40 JKBB COc1cccc(N(C(=O)c2ccccc2OC(F)F)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 13149206 YBTJLCLYEQTHAK-UHFFFAOYSA-N 497.479 6.307 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 14271993 NFJFYTGNTRJXQP-YRNVUSSQSA-N 465.918 6.185 5 40 JKBB Cc1cccc(-n2c(SCc3ccc(C(N)=O)cc3[N+](=O)[O-])nnc2-c2c[nH]c3ccccc23)c1 16560678 XGCDBXKZWLDUDZ-UHFFFAOYSA-N 484.541 5.023 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 214638301 FNTLKRIJFDSWNW-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223377219 UYWISHQMMANCGH-CUNXSJBXSA-N 487.600 5.001 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1c[nH]c2ccccc12 408565124 BFYOPKPSTKYWMI-HXUWFJFHSA-N 451.866 5.717 5 40 JKBB Cc1cc(Br)c(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(C)C3=O)cc1C 409000573 TZUYPYWYWWHERZ-UHFFFAOYSA-N 454.280 5.097 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)CC 409353765 RCTAGHIZNSBBMD-NSMHLIOHSA-N 484.530 5.090 5 40 JKBB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 868880 HJIHWTVBSQYMHX-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc3ccccc23)cc1 2197294 WOJXIWWRHXTQQF-UHFFFAOYSA-N 471.498 5.236 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(CC)nc32)cc1 6150862 UVYUFBAVSMSEKZ-OAQYLSRUSA-N 481.600 5.368 5 40 JKBB CCCCCC(=O)Oc1cn(Cc2ccc(C)cc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9243673 GVMWJJZWOWKLLP-UHFFFAOYSA-N 496.655 7.412 5 40 JKBB O=C(CCSc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1 9716970 UTLSBVOBTCMMHJ-UHFFFAOYSA-N 468.535 5.454 5 40 JKBB O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccc(Cl)cc1Cl 12352803 MSKTXRHZUUSUQS-UHFFFAOYSA-N 464.692 6.060 5 40 JKBB Cc1ccc(O[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c([N+](=O)[O-])n1 12563227 KUCLHEKJRAKTBB-GOSISDBHSA-N 465.815 5.729 5 40 JKBB O=C(CCCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1Cl 13856562 HZFUAEBNMXYYDQ-UHFFFAOYSA-N 496.903 5.575 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1 16689227 PJQSZXKRYCROCL-UHFFFAOYSA-N 455.942 5.428 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cc(C(=O)O)c(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 20142624 HSWPJTBRVMKEBT-UHFFFAOYSA-N 452.294 5.088 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 51330318 OWUKMJKXBCOKNP-XDTRZITMSA-N 454.486 6.304 5 40 JKBB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 104117369 ZIWXBSGXXQQJRE-MHZLTWQESA-N 485.540 6.976 5 40 JKBB O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215262274 IVBSOCKUOOIEIH-XQNSMLJCSA-N 476.510 5.289 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224443111 JJUVPWRYAYPPTO-GOTSBHOMSA-N 459.506 5.097 5 40 JKBB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)cc1 1661659 RHZWXDJGHJAAIP-UHFFFAOYSA-N 485.613 6.122 5 40 JKBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(CC)nc32)cc1 6150842 NYLVUZROZBJHIW-KRWDZBQOSA-N 483.572 5.384 5 40 JKBB O=C1c2cccc3cccc(c23)C(=O)N1CCN(Sc1ccccc1[N+](=O)[O-])c1cccc(F)c1 8386895 BZPNJXUTWRLJMJ-UHFFFAOYSA-N 487.512 5.697 5 40 JKBB CC1=NN(c2ccccc2)[C@]2(SC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)c2ccccc21 9046324 XLSSRPLBQGTYMQ-MUUNZHRXSA-N 491.576 6.565 5 40 JKBB CC(C)C(=O)Oc1cn(CCCc2ccccc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9124406 XCPUVCQKHAHLRE-UHFFFAOYSA-N 454.574 6.155 5 40 JKBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1ccc(Cl)c(Cl)c1 13563454 NHHOQEBNJHHAKS-UHFFFAOYSA-N 476.272 6.173 5 40 JKBB Cc1cc(OCC(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccc1C(C)C 16044755 CNSBPGKHLDGAKN-RUZDIDTESA-N 496.947 5.982 5 40 JKBB Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccc(Cl)cc1 26787011 AFRARCWKNRXJGK-UHFFFAOYSA-N 488.949 5.471 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 102828788 MAIAMEYAADCASK-MXXWSYFGSA-N 499.483 6.212 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1 214644428 SQFKDULPYAZGHW-YBFXNURJSA-N 483.889 5.183 5 40 JKBB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 214987565 FSRGCTVWDQDWFS-FYJGNVAPSA-N 478.482 5.268 5 40 JKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(-c2ccccc2)cc1 224559910 CJDBXBFTHOBTLB-UHFFFAOYSA-N 482.536 6.800 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F 224910561 TWNGNTRSHVDMRX-RPWUZVMVSA-N 474.517 5.874 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 226363358 UZASZTXHYCGZHT-UHFFFAOYSA-N 478.913 6.960 5 40 JKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3cccc(C)c3)cc2)cc1 408569580 JQUJYZCNCZMYMB-VWLOTQADSA-N 474.586 5.882 5 40 JKBB Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 408736972 KJBFRMSZLZFJAQ-MHZLTWQESA-N 493.563 5.401 5 40 JKBB CCc1nc2c(c(=O)n1[C@@H](C)c1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2240207 XOZFHSGVXIYLAG-IBGZPJMESA-N 489.579 5.523 5 40 JKBB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(N2CCCCC2)ccc1[N+](=O)[O-] 8838332 UJPJVXVQCUFNRL-UHFFFAOYSA-N 460.921 5.605 5 40 JKBB O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 9322145 PKSMEEWTSHTTHS-ZDLGFXPLSA-N 458.257 5.255 5 40 JKBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccccc1OCc1ccc(Br)cc1 9763426 HVKGYMRACHZNFT-DEDYPNTBSA-N 479.286 5.281 5 40 JKBB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11249051 KEFFILBEQFXCJP-UHFFFAOYSA-N 454.448 5.601 5 40 JKBB O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 16430191 APFMRAAXCNFWNO-UHFFFAOYSA-N 486.436 5.272 5 40 JKBB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 20970361 OCHFBLMJRVBWNV-DEOSSOPVSA-N 469.501 5.271 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 408751472 ZUDUMKAGFTZPOX-UHFFFAOYSA-N 465.512 5.447 5 40 JKBB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)COc1ccccc1[N+](=O)[O-] 2343411 MXBFPGIIWSLLKN-SANMLTNESA-N 464.949 6.149 5 40 JKBB O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cc1 5103461 KUBNLSZSAIOAMS-UHFFFAOYSA-N 476.496 6.278 5 40 JKBB Cc1ccc(S(=O)(=O)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc3oc4c(c3c2)CCCC4)cc1 9030601 IZKYHEPVGQEZLF-UHFFFAOYSA-N 490.537 5.564 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9232576 USBPPFFBLYXOEG-VXLYETTFSA-N 485.861 5.653 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 10010639 SAIRUBKKZKSUKT-UHFFFAOYSA-N 464.286 6.032 5 40 JKBB C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 11276502 TXKGFBRPBLWDOO-CQSZACIVSA-N 469.324 5.032 5 40 JKBB O=C(CCC(=O)c1cccs1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 12602357 WJDGIOHTGRSKMM-NRFANRHFSA-N 472.906 5.196 5 40 JKBB O=C(O[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)c1ccc([N+](=O)[O-])o1 12624351 LPSPSZHMVHQEMR-QGZVFWFLSA-N 468.771 5.397 5 40 JKBB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1[N+](=O)[O-] 32116499 ZUBFVVNVFYRPMS-UHFFFAOYSA-N 484.262 5.132 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 102828790 MAIAMEYAADCASK-PKODMZNJSA-N 499.483 6.212 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1Cl 408569213 JCRSMCPTJWAIMK-LJQANCHMSA-N 471.340 6.471 5 40 JKBB CCCCN1C(=O)c2cccc3c(-c4ccc(Br)c(C)c4)c([N+](=O)[O-])cc(c23)C1=O 408755261 CHTZXXDEHBEHLC-UHFFFAOYSA-N 467.319 5.882 5 40 JKBB O=S(=O)(Nc1nccs1)c1ccc(NCc2c3ccccc3nc3cc(Cl)ccc23)cc1 5614310 SLJHUIGAQAPNKN-UHFFFAOYSA-N 481.002 5.911 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064652 PIRIDRRFKVGULW-UHFFFAOYSA-N 453.351 5.019 5 40 JKBB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(C)cc3)nn2[C@@H]1c1ccccc1[N+](=O)[O-] 9638072 HOPFMQIXXSCSBB-XMMPIXPASA-N 496.527 5.098 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 10060335 SSSIKNJYRHICSS-FCHUYYIVSA-N 459.893 5.221 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 11916199 CPHRTLKFXMOTMW-UHFFFAOYSA-N 487.537 5.243 5 40 JKBB CC(C)N(Cc1ccccc1)C(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1 12546452 LUUUXKCUSNOKBD-UHFFFAOYSA-N 460.559 5.463 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 13634669 GJIMZCRNDFWIFS-PUHABZHSSA-N 493.519 6.025 5 40 JKBB CC(C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 21596005 AHEPGKRAUWTQAA-DTQAZKPQSA-N 493.519 7.438 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927738 IUOUNLSFGGCHFC-HTTNMUSBSA-N 466.106 7.293 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1 408565433 BWIBGLKMMRGBNX-HSZRJFAPSA-N 482.512 5.543 5 40 JKBB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1 408960166 CWQHXDSUQABDIX-JAIQZWGSSA-N 464.455 5.098 5 40 JKBB CC(C)(C)c1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 409177106 ARKZFJRSYZUURB-AREMUKBSSA-N 473.569 6.971 5 40 JKBB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 2401732 OQKVYZLLZDOIGS-UHFFFAOYSA-N 483.937 5.353 5 40 JKBB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] 9063984 SWLRKNZIIFJQGM-UHFFFAOYSA-N 465.922 5.227 5 40 JKBB CCn1c(CCC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCc1ccccc1[N+](=O)[O-] 9328784 LXNAYFBQZMUKBY-UHFFFAOYSA-N 459.959 5.032 5 40 JKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 9344990 JUNHIBNWBCGQAK-LADGPHEKSA-N 478.346 6.216 5 40 JKBB Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1 9578103 JQTFCVQQJGAPSX-UHFFFAOYSA-N 487.563 5.415 5 40 JKBB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccccc1[N+](=O)[O-] 12469702 RQFMTYGMRWDVHW-UHFFFAOYSA-N 456.936 5.651 5 40 JKBB C[C@@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13068553 UJDBEQOARRKFMN-GFCCVEGCSA-N 479.967 5.301 5 40 JKBB Nc1ccc2nc3cc(Nc4ccccc4)/c(=N\c4ccccc4)cc-3n(-c3ccccc3)c2c1 13282694 MQJDQAXDVFYIPJ-KGGMANCPSA-N 453.549 6.689 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500048 MYVDUNQXOGASSU-UHFFFAOYSA-N 458.522 5.683 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1 214200269 NXUDAVHQRBMISB-VXLYETTFSA-N 458.854 5.884 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(F)cc1 408566316 FHOZQWZXIYTZKU-FQEVSTJZSA-N 454.885 5.957 5 40 JKBB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@H]2C1 408675477 AWGNSTPVQPUERU-RPBOFIJWSA-N 481.508 5.360 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1C 408758190 WQEKXLFLVJCSNE-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB O=C(NCCSCc1ccccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408927173 YNBUTCMPTVANHC-CJLVFECKSA-N 452.963 5.838 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 408943022 XTPUHWNPDLRWKG-JAIQZWGSSA-N 497.916 5.492 5 40 JKBB CCc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409183121 QCEFAHOFXCAQIS-SANMLTNESA-N 460.486 5.043 5 40 JKBB O=C1S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409374854 ALKCKZNAUALHSK-BNCCVWRVSA-N 477.281 5.245 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)cc1 6474892 CYJCECNESIQUNF-UHFFFAOYSA-N 467.348 5.897 5 40 JKBB O=[N+]([O-])c1cc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)c3ccccc23)ccc1N1CCOCC1 9076033 YEPTVQWGJFIVOC-UHFFFAOYSA-N 496.354 6.092 5 40 JKBB O=[N+]([O-])c1ccc(Cl)c([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9158074 CFHCJBNUSCKKNS-WMZHIEFXSA-N 484.295 5.873 5 40 JKBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nc2ccccc2s1 9359628 MDUYHLUHXJXDJG-HXUWFJFHSA-N 455.451 5.061 5 40 JKBB Cc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)CS[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9478890 ZEVZHNFMEIMHGY-XMMPIXPASA-N 456.527 6.180 5 40 JKBB CCOc1cc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc(OCC)c1OCC 11726694 GAIVEVOFIJPQKU-UHFFFAOYSA-N 462.502 5.098 5 40 JKBB COC(=O)c1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1 16194140 FXNMQOQRQZTZDT-SAPNQHFASA-N 467.485 5.829 5 40 JKBB Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)oc2cc1C 16284191 ZCLSLEXQACXMFM-UHFFFAOYSA-N 476.514 5.161 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224322205 JLGWIBLGYKILSP-JWQCQUIFSA-N 470.554 6.044 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408571314 OHWKMVAITBQCJC-RHLLLVCUSA-N 498.366 5.141 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Br)cc1 408604916 FVFFTMJXQPJRIM-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB COc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O 408757747 QIPKLIAMKFAEKG-UHFFFAOYSA-N 473.872 5.954 5 40 JKBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1 409336851 WWMMTHYAEJRGEY-IBGZPJMESA-N 486.604 6.066 5 40 JKBB Nc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(N)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1 2049305489 ZNYXIIVDPGUDMS-UHFFFAOYSA-N 492.586 7.154 5 40 JKBB COc1cc(Br)cc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccco3)C[C@H]21 1407915 GQXFCZYDPCPUCS-DYESRHJHSA-N 470.279 5.201 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@@H]([C@@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 1578752 ONCGYVZSXREYSS-DNQXCXABSA-N 455.986 5.513 5 40 JKBB CCCCCN(CCCCC)C[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1593474 QTRCDPWLGDAAQS-AREMUKBSSA-N 456.468 7.471 5 40 JKBB CC(C)(C)c1cc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(C(C)(C)C)c1O 2069078 YMGRBFVNLZUXBY-WOJGMQOQSA-N 456.926 5.893 5 40 JKBB CC(C)(C)c1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2-c2ccccc2)cc1 8742267 XYMVOVYDJXXBOW-UHFFFAOYSA-N 475.530 6.199 5 40 JKBB Cc1ccc2oc3cc(NCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9088051 GDJHXLBWOSHWNR-GOSISDBHSA-N 467.569 5.393 5 40 JKBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12494144 OJVDRXAVHSVWEB-SDNWHVSQSA-N 493.510 5.143 5 40 JKBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 12564458 JIDAWNNTCFCXDX-QFIPXVFZSA-N 478.892 5.307 5 40 JKBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)c1ccc(Cl)s1 12578764 NDLLXYAILNQFRQ-UHFFFAOYSA-N 465.314 5.615 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 26124133 CXCWBLZOVBRMQZ-SDNWHVSQSA-N 469.432 5.380 5 40 JKBB O=C(Nc1ccccc1I)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313041 KMVWRJZMXRWXFK-UHFFFAOYSA-N 458.664 5.320 5 40 JKBB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 59428136 IFZNOIVAXSXZAF-UHFFFAOYSA-N 458.586 5.947 5 40 JKBB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 104117365 ZIWXBSGXXQQJRE-HHHXNRCGSA-N 485.540 6.976 5 40 JKBB CC1(C)[C@@]2(c3ccccc3)[C@H]3C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)[C@@H]3[C@@]12c1ccccc1 104280623 TTYZBJSFCZZGFK-ZQFINEHZSA-N 484.508 5.594 5 40 JKBB CCCCCCc1ccc2c(c1)sc1c2sc2c3ccc(CCCCCC)cc3sc21 143989779 JZLWVQKOPPPVSV-UHFFFAOYSA-N 464.765 10.730 5 40 JKBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 210813206 RUGFDGIWGJBQRE-BUVRLJJBSA-N 468.534 5.677 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])c1 214842545 AVWVTBIKLDKQEL-ZVHZXABRSA-N 486.505 6.253 5 40 JKBB C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCCC3)cc2)C1 225537590 DOKANXSXMKKCFW-JOCHJYFZSA-N 479.621 5.936 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408566560 FPNAKMFMOBKKLA-RTFLAGNKSA-N 498.366 5.141 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 409099856 MBARVKRYMYCPGE-UHFFFAOYSA-N 494.857 6.805 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)-c1ccccc1C2=O 409177464 FLXWZJMZCKEZBP-UHFFFAOYSA-N 451.434 5.956 5 40 JKBB CCc1ccc(Oc2coc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3c2=O)cc1 1775198 CZWKYKLBCDPHOW-UHFFFAOYSA-N 465.845 5.929 5 40 JKBB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 9252459 VFOVDEVMVRKFSL-UHFFFAOYSA-N 465.918 6.276 5 40 JKBB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 12660370 TWKCKOZBPSOCMY-HMMYKYKNSA-N 466.493 5.995 5 40 JKBB Cc1c(NC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)ccc2o1 16185134 MADNNFYKTIQPAU-FLIBITNWSA-N 492.944 5.891 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O 16282431 NARYFJLOBWTZJM-UHFFFAOYSA-N 453.248 5.259 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 39860600 XXYPRDRPUNFPOT-VCHYOVAHSA-N 461.282 6.403 5 40 JKBB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)C1 225506777 LSZDVCGUFRSNPG-NHCUHLMSSA-N 465.594 5.402 5 40 JKBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] 408659336 KTOPUOIXFGBOBM-LJQANCHMSA-N 458.514 5.188 5 40 JKBB COc1cc2nc3ccc(NC(=S)N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)cc3nc2cc1OC 408996079 NZEKTTGDQNCHSE-CPJLOUKISA-N 450.608 5.398 5 40 JKBB COc1c2c(cc3c1[C@H](CC(=O)c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N+](C)(C)CC3)OCO2 1836880 VHUSTIPJMIYNLH-QHCPKHFHSA-N 478.653 5.892 5 40 JKBB biogenic Cc1cc(-c2ccccc2)nc(N(Cc2ccc([N+](=O)[O-])cc2)OCc2ccc([N+](=O)[O-])cc2)n1 2066085 HXSQXXMNGGXJEA-UHFFFAOYSA-N 471.473 5.407 5 40 JKBB O=S(=O)(Nc1ncccn1)c1ccc(NCc2c3ccccc3nc3cc(Cl)ccc23)cc1 5614304 FLMBEJGAYROJRM-UHFFFAOYSA-N 475.961 5.244 5 40 JKBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 8832388 RVJZGFAKIVURKV-UHFFFAOYSA-N 469.497 5.529 5 40 JKBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC(C)C)ccc1[N+](=O)[O-] 22257615 LGCFKHAFAVEISL-UHFFFAOYSA-N 493.347 5.324 5 40 JKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2cccc(Cl)c2)cc1 44087352 PBTVOEUVQBRQFO-UHFFFAOYSA-N 478.961 6.140 5 40 JKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 408750922 UBNAWSNERDBTEB-UHFFFAOYSA-N 465.487 5.437 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1ccccc1Cl 409055802 FAANKVJEOYQOQH-BKUYFWCQSA-N 466.902 6.068 5 40 JKBB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 409111864 CROZBGRGCYNQPS-STZFKDTASA-N 493.357 6.234 5 40 JKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc2ccccc12 409177178 CWXGQKWBLHZEMI-UHFFFAOYSA-N 470.481 6.002 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1[N+](=O)[O-] 817529 IRPMALMBDIIREG-UHFFFAOYSA-N 474.300 5.805 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc([N+](=O)[O-])o1 834950 BXUGUWFULVIIPY-UHFFFAOYSA-N 478.258 6.164 5 40 JKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)c1 1807073 BCDNAOCWEMINJR-NYHPBOSBSA-N 477.589 7.575 5 40 JKBB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccccc1-2 8432176 ORLXUVZXOFCQPS-HSZRJFAPSA-N 489.557 6.492 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 8744460 FARGLUKXRQSFLA-UHFFFAOYSA-N 453.542 5.147 5 40 JKBB CC(C)C(=O)Oc1cn(CCc2ccc(Cl)cc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9243432 LMQNIHJGJGSHOO-UHFFFAOYSA-N 474.992 6.418 5 40 JKBB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9413665 WOONZDZARJPJHC-UHFFFAOYSA-N 465.849 5.508 5 40 JKBB COCc1cc(C)nc2sc3c(nc(-c4ccccc4)c4sc5nc(C)cc(COC)c5c43)c12 12445681 JHPBLKMEXTVKQY-UHFFFAOYSA-N 485.634 7.184 5 40 JKBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 12621635 WQDFLPVKFUAAKP-UHFFFAOYSA-N 494.813 5.201 5 40 JKBB COc1cc2nc(/C(Cl)=C/c3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC 13097306 YXPFGGQDQUOKOC-WQRHYEAKSA-N 492.919 5.353 5 40 JKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14272188 PMHWEZFIJSXWRQ-UHFFFAOYSA-N 462.893 5.909 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224315717 RIZJRJGEFBRCBE-LOSJGSFVSA-N 470.554 6.044 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224474526 CBHWADYYDBILOF-XZOQPEGZSA-N 475.961 5.611 5 40 JKBB CCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2094120 UMVZGBBLXIXTBT-QHCPKHFHSA-N 489.524 5.264 5 40 JKBB biogenic COc1ccc(-c2c(C(F)(F)F)noc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1 8742974 IOFWLZWAUGETAH-UHFFFAOYSA-N 486.402 6.229 5 40 JKBB biogenic CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 13509781 OWGKPLHFWQHVBD-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 32114848 RFTDFPJFRHBDGI-UHFFFAOYSA-N 474.763 5.495 5 40 JKBB O=C(c1ccccc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 38190325 XBOBHRFVHCOBMV-VDDKRMBASA-N 482.496 5.940 5 40 JKBB CC1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229350 MHLCZWOFHJYZLH-UHFFFAOYSA-N 452.736 5.499 5 40 JKBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224196909 RIBAFUCCGRISNP-SANMLTNESA-N 487.600 5.001 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 224879249 RCKBMUYYZRGYHO-PKTZIBPZSA-N 491.960 5.317 5 40 JKBB CC1CC[N+](Cc2ccccc2)(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226069235 JSZIWKFUMSQFJS-QMBXWWDNSA-N 496.756 6.604 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1 408571887 PUJLBYCYRGLXIW-HXUWFJFHSA-N 481.346 5.927 5 40 JKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 409124871 LCSWSQSZZLTMEZ-UHFFFAOYSA-N 480.575 5.036 5 40 JKBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2198307 WQTQDQIZBGOCCW-UHFFFAOYSA-N 479.971 5.547 5 40 JKBB CCOc1cc2nc3c4cc(Br)ccc4n(CCC(C)C)c3nc2cc1OCC 2276914 NYFVNGKSDUBNQQ-UHFFFAOYSA-N 456.384 6.344 5 40 JKBB COc1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCCC5)o2)c([N+](=O)[O-])c1 8442367 IAHXKLVFVROHEB-UHFFFAOYSA-N 451.504 5.487 5 40 JKBB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 8899434 WZBYFXBKOFSYKT-UHFFFAOYSA-N 486.528 5.615 5 40 JKBB CC1CCN(CCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1 9012962 XOHSBBNHBPOZRA-UHFFFAOYSA-N 453.542 5.085 5 40 JKBB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)oc1ccccc12 9691207 WZUMMUGNXVCKKD-LBPRGKRZSA-N 468.849 5.340 5 40 JKBB O=c1oc2ccccc2cc1C1=Nc2ccccc2S[C@H](c2c3ccccc3cc3ccccc23)C1 12360323 PHTMIOQKPAPPOD-PMERELPUSA-N 483.592 8.457 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1 13382066 CVXZJIVHSRVNHJ-UHFFFAOYSA-N 497.551 6.965 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 13805041 DBBQJJJRVZFRHU-DSNGMDLFSA-N 499.910 5.453 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(Cn3c(-c4ccccc4)nnc3-c3ccccc3)cc2)c(Cl)c1 15318921 OCLWCNZHONOSCL-UHFFFAOYSA-N 482.927 7.014 5 40 JKBB O=C(Nc1ccccc1Sc1ccccc1)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 100863150 SSICQKDGQZDKEN-LYBIEXDWSA-N 475.574 5.272 5 40 JKBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100864378 HNYADDICHTXWIO-ITTSEUISSA-N 480.611 5.884 5 40 JKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214878671 RRZXMKROCFHQSU-YDZHTSKRSA-N 464.373 7.536 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224222010 QMPFXEPEFLZJHZ-ZEQRLZLVSA-N 456.527 5.735 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc2ccccc2c1 224646337 ZSFMBPXOOBINHL-UHFFFAOYSA-N 456.498 6.286 5 40 JKBB Cc1c(Cl)cccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409177763 CTCGUHITUJEJOD-VWLOTQADSA-N 480.904 5.443 5 40 JKBB O=C1S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1c1ccccc1 409366782 WEJMDUHWGNBVGE-NDENLUEZSA-N 486.427 6.647 5 40 JKBB Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 1761948 UBORUJACAUHXPY-YRNVUSSQSA-N 454.598 6.718 5 40 JKBB COc1ccc(-c2c(-c3cccc([N+](=O)[O-])c3)cn3ccc4cc(OC)c(OC)cc4c23)cc1OC 2328134 BVLWKGJFAQNPSN-UHFFFAOYSA-N 484.508 6.369 5 40 JKBB COc1cc(/C=C2/N=C(c3cc(Cl)cc([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccccc1Cl 3337969 GECNNVZFWFMSQD-DNTJNYDQSA-N 499.306 5.834 5 40 JKBB O=C(CSc1nc2ccc(Br)cc2c2nc3ccccc3n12)c1ccc(F)cc1 9473234 DLAYVXHUPWJVAK-UHFFFAOYSA-N 466.335 5.912 5 40 JKBB CC(=O)N(c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1)c1cccc(C)c1C 13002245 ZLKFMJIMYKRJSX-JXMROGBWSA-N 450.545 6.133 5 40 JKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1C 22009790 BOHNOZPMQNEFTF-UHFFFAOYSA-N 480.575 5.036 5 40 JKBB CCN1C/C(=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 34794940 CMXBXNWXSWVUAY-AQTBWJFISA-N 499.498 6.149 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccnc5)nc4c3)cc2[N+](=O)[O-])CC1 57316194 YZEKNTVQDKDEJO-UHFFFAOYSA-N 457.490 5.287 5 40 JKBB CC1CCN(c2ccc(C(=O)NCc3ccc(-c4ccc(Br)cc4)o3)cc2[N+](=O)[O-])CC1 57317090 QWFDRHFUJZLJMZ-UHFFFAOYSA-N 498.377 5.784 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc(Cl)c(Cl)c1 59418226 ATRXZYFZHANRHL-GIJQJNRQSA-N 495.727 7.056 5 40 JKBB O=C(N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccco1)C(F)(F)F 102538419 MRHQHQDNGKUIQB-NPMXOYFQSA-N 497.429 6.300 5 40 JKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223749484 VGGGQVBGCVYVCL-JOCHJYFZSA-N 492.041 5.205 5 40 JKBB Cc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408835051 VXVHLOPJELANIX-UHFFFAOYSA-N 473.598 6.849 5 40 JKBB CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 1849462 ZLMPPGUIPXNTLM-XBXARRHUSA-N 456.667 5.067 5 40 JKBB CCOC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8781909 RJIXFJBSGRSNSF-UHFFFAOYSA-N 489.359 5.400 5 40 JKBB CCCCCC(=O)Oc1cn(CCCOCC)c2nc(CCCCC)n3c4ccccc4nc3c12 9243554 WMUAXAZNYLKMFG-UHFFFAOYSA-N 478.637 6.482 5 40 JKBB COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2cccc(Br)c2)cc1 9553711 MCUJTFPHTVMAJW-RWEWTDSWSA-N 494.301 5.597 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3C)nc2c1 10035100 VKEKLZVVGXIVPZ-WYMLVPIESA-N 493.519 7.240 5 40 JKBB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cc([N+](=O)[O-])ccc1Cl 12377478 ZBDWQDYNNVZBIG-UHFFFAOYSA-N 469.975 6.718 5 40 JKBB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12537798 FXQJOSXIXMMUCG-UHFFFAOYSA-N 486.553 5.474 5 40 JKBB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@H](Sc2ccc([N+](=O)[O-])cc2)CS1 16779178 UOQVQXFGBAILGX-QUCCMNQESA-N 481.624 5.839 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c(Cl)c1 22751194 YIWPXJNZIZHDRZ-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cccc3ccccc23)cc1 39762953 AZFVWUPNHDKIED-UHFFFAOYSA-N 479.452 5.303 5 40 JKBB O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1Cl 2050345 GQSJCRLCUJUQDX-UHFFFAOYSA-N 498.792 5.521 5 40 JKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902511 USKOAWCXILCRBF-RMKNXTFCSA-N 488.327 5.650 5 40 JKBB CCCC(=O)Oc1cn(Cc2ccc(Cl)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9293085 GJBJKDVQJKQNOO-UHFFFAOYSA-N 460.965 6.197 5 40 JKBB Cc1ccc(C2=NN(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[C@H](c3ccc(Cl)cc3)C2)cc1 12447656 KGYLYHHPGLYGPJ-DEOSSOPVSA-N 474.973 7.036 5 40 JKBB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13098501 QCHHEDBIVJPJDZ-UHFFFAOYSA-N 490.547 6.711 5 40 JKBB C[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 15134565 CHMLMVVLVGKIDN-UZTOHYMASA-N 450.494 6.161 5 40 JKBB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cc(Cl)ccc1[N+](=O)[O-] 25423109 CREYUTCVDDPSSE-LJQANCHMSA-N 488.283 5.029 5 40 JKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(OC(F)(F)F)cc2)c1 44088053 LLKQCMLJTQWYQY-UHFFFAOYSA-N 489.450 6.778 5 40 JKBB C[C@H]1Oc2ccccc2C=C1c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCCCCC1 79501342 XKUWSRFZOHUSOA-QGZVFWFLSA-N 495.579 7.349 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223841286 ROGYTNZJJMSZNA-RPBOFIJWSA-N 486.553 5.826 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)S2)cc1 408779423 DTSDRJJFDZUDSW-VZIOXZNFSA-N 451.504 5.025 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1CC1CCCCC1 409148264 PFWSQTSPADEAHX-HYARGMPZSA-N 452.532 5.790 5 40 JKBB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)c1 409246670 ACXZJGUJFWMLOW-QGMBQPNBSA-N 472.284 5.563 5 40 JKBB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1[N+](=O)[O-] 8721689 HGLJWIZMLREHCR-UHFFFAOYSA-N 482.974 5.960 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 8831313 DBYYNUUGUROIAE-UHFFFAOYSA-N 450.303 5.597 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccc(C)cc2)cc1 8836758 QEQSVURKWTZXBL-UHFFFAOYSA-N 459.553 5.316 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cccc(COCC(F)(F)C(F)F)c3)nc12 13643574 CCCARZASJLYRCK-UHFFFAOYSA-N 475.471 5.588 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1Cl 215120866 JVLFJYKMUXDSMA-DJKKODMXSA-N 493.299 6.537 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224322302 ZBKDHPOZKUOPTF-RPBOFIJWSA-N 470.554 6.044 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1 408572312 QVTGJPQRAUSOSZ-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408806281 AYPJNRKQWOCESC-UHFFFAOYSA-N 489.302 5.519 5 40 JKBB O=C(Oc1c(-c2ccccc2)n(C(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc12)c1ccccc1 3844602 KEAWUUOYHLSPTF-UHFFFAOYSA-N 462.461 6.124 5 40 JKBB biogenic O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1 6143780 AXNZLZBODPOBOI-UHFFFAOYSA-N 464.800 5.245 5 40 JKBB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8846810 XGSJQQLNXMXTDK-UHFFFAOYSA-N 469.463 6.637 5 40 JKBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)cc3oc12 9129151 KNWBEXOXLTWHAQ-QFIPXVFZSA-N 475.497 5.132 5 40 JKBB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c2)N3)C1 15947499 QYFSIEUQTKLWDM-YEJXKQKISA-N 463.515 5.429 5 40 JKBB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl 20753385 SRMOKYOAVWUOAH-UHFFFAOYSA-N 477.933 5.498 5 40 JKBB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 59474797 YVOVQIIGPYXCJS-UHFFFAOYSA-N 478.555 5.496 5 40 JKBB O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1ccccc1 208712332 VWRINWDGRDJGLW-NDENLUEZSA-N 486.427 6.647 5 40 JKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O)n[nH]1 408631757 GESYKYOJEFUVJF-ODLFYWEKSA-N 498.904 5.520 5 40 JKBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 2244840 XEOJHEMYYAJLMK-UHFFFAOYSA-N 471.870 5.674 5 40 JKBB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 12510619 KBFHNLKCUWWLPN-UHFFFAOYSA-N 479.562 5.165 5 40 JKBB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12542517 GKJPZPDNVSVMBW-UHFFFAOYSA-N 464.503 5.814 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1[N+](=O)[O-] 14275696 AZKGLPNGPHMKBZ-UHFFFAOYSA-N 490.541 5.545 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 16158151 LTIDNBLKKWQJAC-WQRHYEAKSA-N 484.917 5.632 5 40 JKBB O=C(CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccc(Cl)c([N+](=O)[O-])c1 16492476 MMXJQSQIQPWXHJ-UHFFFAOYSA-N 470.337 6.487 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115512 JXFDBNCKWHLLOK-QHHAFSJGSA-N 490.249 6.640 5 40 JKBB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 36092250 GPVZYVBVGISIJK-NAYIZHHVSA-N 482.492 5.278 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 224037034 LWVMJCQZYHKVGR-ZEQRLZLVSA-N 486.509 5.156 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224313146 MCBNOXOFFGSRNE-DQEYMECFSA-N 469.570 5.574 5 40 JKBB O=C1CS[C@@H](c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 408558965 WVSFQUOGCUKINR-QFIPXVFZSA-N 475.353 6.259 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408570328 KXPMJKPHCYXLTB-VIQOPKQKSA-N 498.366 5.141 5 40 JKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(Cl)cc3)cc2)cc1 408577085 YNWTZDREMVVKEY-XMMPIXPASA-N 495.004 6.227 5 40 JKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 408803661 RRNBCTYJCNVBBD-UHFFFAOYSA-N 470.914 5.588 5 40 JKBB Cc1cccc(OCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)c1 409178873 OBLHFOCTQNTCPO-MUUNZHRXSA-N 481.504 6.263 5 40 JKBB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)c1 781466 HAIMPBSRLQCQBK-UHFFFAOYSA-N 489.557 5.102 5 40 JKBB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 825812 CLLHGHNHQCVXFG-UHFFFAOYSA-N 493.475 5.227 5 40 JKBB Cc1c(-c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)nn1-c1ccccc1 2066271 DRSLYHDPVHWGJW-UHFFFAOYSA-N 475.504 6.642 5 40 JKBB O=c1c2c3c(sc2n2c(SCc4ccc([N+](=O)[O-])cc4)nnc2n1-c1ccccc1)CCCC3 2195493 HTOAIFALSKLDJV-UHFFFAOYSA-N 489.582 5.174 5 40 JKBB CCC(C)(C)c1ccc(OCCCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1 6462317 ZOJZTSICWFNFHU-UHFFFAOYSA-N 483.605 6.555 5 40 JKBB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 8832869 SKVKEQOMIAYRHK-UHFFFAOYSA-N 473.938 5.638 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4cccs4)cn3-c3ccccc3)o2)cc1 9613165 CPAIKRYGBLVUNH-UHFFFAOYSA-N 461.528 5.851 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 9948591 OZGIIIMSUNGBEA-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)OCc1ccccc1 11866751 QSNKKGYNZZKYGH-SANMLTNESA-N 493.515 5.389 5 40 JKBB biogenic O=C(C1CCCCC1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 12631402 MZOBLMHJOUWZBD-BOSJPIGCSA-N 488.544 6.206 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cccc(Cl)c2C)c1C 13388575 RKLAOIXNLVKKKK-UHFFFAOYSA-N 487.921 5.218 5 40 JKBB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16399981 VDCVEOICTZLDPO-UHFFFAOYSA-N 459.845 6.569 5 40 JKBB CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cccc(C)c1 19927626 RTBVZUZAOCSKQD-UHFFFAOYSA-N 466.350 5.219 5 40 JKBB COc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 21579254 KWPNBFUWRJLFAW-UHFFFAOYSA-N 472.501 5.654 5 40 JKBB COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 72332813 DOTASAVNOLKOGW-NGXZDTIWSA-N 494.696 6.125 5 40 JKBB biogenic Cc1ccc(C[N+](C)(C)C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 226070361 UBKBWXHKDJPUNV-RUZDIDTESA-N 456.691 5.623 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 409113325 FNDNZXVNTWXFIZ-UHFFFAOYSA-N 480.442 7.810 5 40 JKBB O=[N+]([O-])c1cc(Cl)cc(C(c2cc(Cl)cc([N+](=O)[O-])c2O)C(Cl)(Cl)Cl)c1O 1599562 FFTXURLSKUFFGG-UHFFFAOYSA-N 476.483 5.723 5 40 JKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 1876812 BTRQYKCHCVSGRZ-UHFFFAOYSA-N 476.924 5.200 5 40 JKBB CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2212957 YHWJLUODTSRMQG-HSZRJFAPSA-N 497.532 6.184 5 40 JKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 2383209 HTBKFQGLVNNPBS-QHCPKHFHSA-N 489.524 5.435 5 40 JKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2746459 KMPYDSCNIMFPIX-QHCPKHFHSA-N 489.329 5.806 5 40 JKBB CC(C)c1nc2sc3c(ncn4c(SCc5ccc(Cl)cc5)nnc34)c2c2c1CCCC2 9541762 APJFQDHATNSJKE-UHFFFAOYSA-N 480.062 6.835 5 40 JKBB CCCCc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1 12311617 YXTKSMAHQLYBJZ-UHFFFAOYSA-N 490.585 6.016 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(Cl)cc4)o3)nc12 13643577 TVWWOWNRFCSXNZ-UHFFFAOYSA-N 461.934 5.996 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 33670938 SWTNRWVKVVHCTI-QCHRPKCSSA-N 479.583 5.920 5 40 JKBB CO/N=C(/C)[C@@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 33686628 HMHVRHXNTPHLFZ-VLECAFTCSA-N 460.615 5.411 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 72230005 BKGQQHFIAWTQBC-DEOSSOPVSA-N 465.937 5.573 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12 408569062 INLVGNWVZWQRRP-OAQYLSRUSA-N 496.317 5.826 5 40 JKBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cccc1[N+](=O)[O-] 408576029 MBIASQLRXVWEFK-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408604930 FVHWBTXZVXWVBX-UHFFFAOYSA-N 451.281 6.240 5 40 JKBB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@H]2C1 408675474 AWGNSTPVQPUERU-DQEYMECFSA-N 481.508 5.360 5 40 JKBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1-c1ccccc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409372917 SISSFQLOJMWXMP-OGKDHEGQSA-N 472.500 5.139 5 40 JKBB O=C(C[C@@H](c1ccccc1)C([C@@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-])c1ccccc1 1723271 SBZQETAJBOAVFV-NSOVKSMOSA-N 477.560 6.745 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 3312392 BTRHXSQVHKLNRO-WLRTZDKTSA-N 473.510 5.375 5 40 JKBB Cc1ccc(-n2cc(OC(=O)CC(C)C)c3c2nc(CC(C)C)n2c4ccccc4nc32)cc1 9293600 LNSNWDCBGSEORR-UHFFFAOYSA-N 454.574 6.285 5 40 JKBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 59294197 OREGZCKNPJYPTB-FMIVXFBMSA-N 486.513 5.290 5 40 JKBB O=C(Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1)c1cccc(Cl)c1 59294641 QUUWWPUVAZFAQH-UHFFFAOYSA-N 486.336 6.621 5 40 JKBB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C2=C(O)C1 102453465 SEHVMRXGZOJGFN-SANMLTNESA-N 483.524 6.685 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113834170 ZDZVLFYSCFECQV-HYARGMPZSA-N 462.483 5.423 5 40 JKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(-c2ccccc2)cc1 224223426 AHYHGKYVHKVQEH-UHFFFAOYSA-N 468.509 6.410 5 40 JKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C(C)(C)C)cc1 224526826 RMPRBFIYPMSKGB-UHFFFAOYSA-N 462.546 6.431 5 40 JKBB COc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408823058 DIVMCMZXDAHZOP-UHFFFAOYSA-N 476.470 5.554 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 409132668 LFVPNJNSIBSBCJ-CIAFOILYSA-N 483.502 5.912 5 40 JKBB O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 2086740 VXXAIXSUKYVYEO-UHFFFAOYSA-N 469.518 6.453 5 40 JKBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2234685 TTYVOCYATBQMSJ-UHFFFAOYSA-N 475.552 6.184 5 40 JKBB COc1ccccc1-n1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21 13096955 GGIPUPOMWXLOCU-HNNXBMFYSA-N 480.521 5.051 5 40 JKBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1 13097498 IFLLEVLVFMYEMN-SANMLTNESA-N 459.509 6.706 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-] 16610821 IETZOBDZSHAQBN-MRXNPFEDSA-N 459.502 6.568 5 40 JKBB COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183565 KPUNDLOWACYWOY-UHFFFAOYSA-N 456.458 5.175 5 40 JKBB COC(=O)CN1[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccc(Br)cc2[C@H]1c1ccccc1 49563695 SRHQYJVMKSILMY-PKTZIBPZSA-N 482.334 5.046 5 40 JKBB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC 106729228 PHLQZRZCVZFLJI-STZFKDTASA-N 456.520 5.409 5 40 JKBB Cc1c(-c2ccc(/C=C/C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)cccc1[N+](=O)[O-] 226363902 UEIMEHOACDIIHT-SDNWHVSQSA-N 488.952 7.659 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCc2ccc([N+](=O)[O-])cc2)=N1 408993636 WXGHPYHLHQJCQM-HSZRJFAPSA-N 458.543 5.441 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 1413867 WTMWZABATLAYBO-UHFFFAOYSA-N 460.515 5.455 5 40 JKBB CCCCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 8738627 JTCFUIHDOBRZOM-UHFFFAOYSA-N 493.545 5.261 5 40 JKBB O=C1/C(=C\Nc2ccccc2[N+](=O)[O-])c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 12558375 VVTYDCIZDMLINZ-SSZFMOIBSA-N 453.376 5.254 5 40 JKBB COc1ccccc1-n1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2cc([N+](=O)[O-])ccc21 12560926 NMMHVLFOTWIIAB-UHFFFAOYSA-N 495.560 6.584 5 40 JKBB C[C@H]1CCC[C@@H](n2c(=O)c3ccc4c(=O)n([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c5ccc(c2=O)c3c45)[C@@H]1C 20569788 AASLOMJBKLCZLF-DUNDUCEESA-N 486.612 5.060 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 21305960 QSSAAJJSGDNCGQ-XCVCLJGOSA-N 492.340 5.354 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 22706241 JNFMJVKTQXMYKF-UXBLZVDNSA-N 470.337 6.830 5 40 JKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2cc(Cl)ccc2c1Cl 22740556 RLTPMEFFXBQHFK-UHFFFAOYSA-N 483.383 5.853 5 40 JKBB CCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 33458511 ALWNQIKOYCXVSL-UHFFFAOYSA-N 469.877 5.266 5 40 JKBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@H](C)c1cc([N+](=O)[O-])ccc1OC)CC2 62591854 NEPSKJNASROUDR-QUGAMOGWSA-N 491.544 5.039 5 40 JKBB O=[N+]([O-])c1cc(CN2CCN(c3ccccc3F)CC2)ccc1Sc1ccc(Cl)cc1 63111066 MJGWVYCQRIOEDY-UHFFFAOYSA-N 457.958 5.861 5 40 JKBB CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 68728968 QUYBNXAHGZTJJP-UHFFFAOYSA-N 493.583 5.212 5 40 JKBB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 101354330 WOZWDSXMVUACEL-UHFFFAOYSA-N 452.491 6.242 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2c(O)cccc2[N+](=O)[O-])cc1/C=C/c1c(O)cccc1[N+](=O)[O-] 104108626 DOJDRQJGHAJDSO-FIFLTTCUSA-N 494.372 5.071 5 40 JKBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224819464 LJSBYSNVJLHCLU-NDEPHWFRSA-N 499.611 5.145 5 40 JKBB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 408683716 NNVLQPYOYUJBHJ-UPVQGACJSA-N 481.508 5.360 5 40 JKBB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OCC 3433482 ZBQUUVLPUOMMKP-MRXNPFEDSA-N 484.549 6.174 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 8895134 XKUQFZFGYJJSHQ-UHFFFAOYSA-N 484.748 6.250 5 40 JKBB CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509739 OWIJYUSOKDTLDO-UHFFFAOYSA-N 472.549 5.361 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(Cl)c(C)c4)o3)nc12 13643716 KFZNLWRJYGFAEN-UHFFFAOYSA-N 475.961 6.305 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)cc1 16323143 LERRFBYKZDYYOQ-UHFFFAOYSA-N 451.910 6.050 5 40 JKBB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225633123 KAVVUSRDVVJMID-HNNXBMFYSA-N 498.432 5.077 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 408564989 AWQBVVBSYPTHFU-XMMPIXPASA-N 494.548 5.413 5 40 JKBB CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 408565102 BEMBSPODMSAFGU-IBGZPJMESA-N 477.384 5.155 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1cccc([N+](=O)[O-])c1 408822044 AZQVSGSBUWZVKS-UHFFFAOYSA-N 477.545 7.305 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 409168093 KCUBXNPYQPSJIV-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB O=C(Nc1cc(Cl)ccc1Cl)c1sc(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1896262 UVPMDQCBRQYTHY-UHFFFAOYSA-N 470.337 6.944 5 40 JKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2379204 DZFJYAOTDHMHEH-UHFFFAOYSA-N 455.562 5.435 5 40 JKBB O=C(O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1ccccc1[N+](=O)[O-] 8856056 HLPNYBVVSFSEFN-SANMLTNESA-N 481.483 6.078 5 40 JKBB Clc1ccc(CSc2nnc3n4ncnc4c4c5c(sc4n23)CCCC5)c(Cl)c1 9344673 JHFLBMVSJRXTCE-UHFFFAOYSA-N 461.403 5.465 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 22745035 DOQUZIDKBVOZLT-UHFFFAOYSA-N 487.339 6.234 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)nc2c1 57316018 IHZAGRSZHUYBDV-UHFFFAOYSA-N 477.929 7.140 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc3cc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])ccc3c2)c([N+](=O)[O-])c1 106822495 OCAVUCJCHTVNST-UHFFFAOYSA-N 492.356 6.057 5 40 JKBB CC1CC[N+](Cc2ccccc2)(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 252487453 HWJMGWMBLSIEMX-FYKVLBHHSA-N 452.703 6.587 5 40 JKBB COc1cc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-] 408557949 QXDYUDVQVYISJA-UHFFFAOYSA-N 478.452 5.118 5 40 JKBB Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])c3c[nH]c4ccccc34)cc2Cl)cc1 408572431 RDSZWQBJPRPOBF-HXUWFJFHSA-N 455.341 6.771 5 40 JKBB Cc1cccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)c1 408608949 NGFOMUFFBBHPKC-UHFFFAOYSA-N 470.323 5.295 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1Cl 409051079 IIZPGNVEHARWIR-UHFFFAOYSA-N 488.327 7.084 5 40 JKBB COC(=O)CN1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1ccc([N+](=O)[O-])cc1 710147 SRHQYJVMKSILMY-XZOQPEGZSA-N 482.334 5.046 5 40 JKBB Cc1ccc(Nc2nc(Nc3cccc([N+](=O)[O-])c3)nc(Sc3nc4ccccc4[nH]3)n2)cc1 1783443 UHPJWXHYNZYMIP-UHFFFAOYSA-N 470.518 5.603 5 40 JKBB COc1ccc([C@@H]2Oc3ccc(Cl)cc3N2S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4277562 LSKXQBUBBHDQRZ-FQEVSTJZSA-N 481.313 5.197 5 40 JKBB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 20610174 NNUNNRUCJIDFKI-UHFFFAOYSA-N 467.485 5.712 5 40 JKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 22567619 PIGIFWFOFBXLAA-RMKNXTFCSA-N 460.298 6.423 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1 59855217 TZATUGIGPOJQFY-UHFFFAOYSA-N 498.611 5.631 5 40 JKBB O=C(N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccco1)C(F)(F)F 102538421 MRHQHQDNGKUIQB-IQMFZBJNSA-N 497.429 6.300 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Br)cc1 106724092 PGYGXWCKFZTYQX-NVNXTCNLSA-N 453.701 5.247 5 40 JKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 1764217 RFULOEMKJGHASG-SANMLTNESA-N 459.571 5.604 5 40 JKBB O=c1c(Oc2ccc(Br)cc2)coc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc12 1799827 KIBIONKMXUNSFH-UHFFFAOYSA-N 499.229 5.957 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 1866206 LRJRBWUDSKHBKV-AWEZNQCLSA-N 463.921 7.131 5 40 JKBB CC[C@@H]1CCc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)c(=O)c23)C1 2186683 MUJQZOPBLRSIJT-MRXNPFEDSA-N 477.611 6.163 5 40 JKBB O=C(c1ccc(F)cc1)c1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccccc2)cc1 2284138 HDXAUYQDIBSFTG-UHFFFAOYSA-N 454.504 7.487 5 40 JKBB biogenic COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3c([nH]c4ccccc43)c2=O)cc1 2720796 ZINSCDNQPRUBGQ-UHFFFAOYSA-N 458.499 5.076 5 40 JKBB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 3325260 ZRLYFERFZYSTDO-JOCHJYFZSA-N 477.944 5.488 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(-c2ccccc2)cc1 224559987 VMSLVSDNBKJWKQ-UHFFFAOYSA-N 482.536 6.800 5 40 JKBB O=C(Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 3038212 VVRHCGYXSBNATR-UHFFFAOYSA-N 493.755 7.814 5 40 JKBB O=C(NCCC(=O)N(c1ccc(Cl)cc1)c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3476814 NTUKYMPHLXGFEX-UHFFFAOYSA-N 480.933 5.343 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(F)cc1 9232485 CDNAFZZMSFMIOK-YDZHTSKRSA-N 494.500 5.558 5 40 JKBB C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284138 ZCGPYALUKSIHQS-LLVKDONJSA-N 456.442 5.128 5 40 JKBB O=C(CC12CC3CC(C1)CC(CC(=O)Nc1cccc([N+](=O)[O-])c1)(C3)C2)Nc1cccc([N+](=O)[O-])c1 9354634 PFIHJHOEDVWRPL-UHFFFAOYSA-N 492.532 5.447 5 40 JKBB O=C(C1CCCCC1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 12631410 MZOBLMHJOUWZBD-GGPYAICQSA-N 488.544 6.206 5 40 JKBB C(=C/c1ccccc1)\C[N+]1(C/C=C/c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 44229681 QXZCSGDPXZSPCP-IWGRKNQJSA-N 485.695 7.335 5 40 JKBB in-vitro CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463586 NMYHVTFXNHCUMC-UHFFFAOYSA-N 457.555 6.935 5 40 JKBB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101019729 UXEBEPCMWPDVDO-FQEVSTJZSA-N 472.892 5.148 5 40 JKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl 108983812 KPLFTBMTEXBYCA-FQEVSTJZSA-N 488.013 5.669 5 40 JKBB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 224790979 KQLXEOUBZBHWKL-DNQXCXABSA-N 487.610 5.955 5 40 JKBB COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408608217 KXFDHIOVWXNSTR-UHFFFAOYSA-N 457.324 5.865 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3C)o2)c([N+](=O)[O-])c1 10035095 ZJLUOGUSVGJUAC-UHFFFAOYSA-N 469.522 7.001 5 40 JKBB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc2c(ccc3ccccc32)oc1=O 17201139 AXMVVYDAEZWZPI-UHFFFAOYSA-N 455.520 5.932 5 40 JKBB CCCCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 20095931 NYZYAIUHEANUMV-UHFFFAOYSA-N 460.442 5.145 5 40 JKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 100390494 GPVZYVBVGISIJK-QSCAOHDJSA-N 482.492 5.278 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106737665 LZRTZQOYBZLSGS-XFQLMFQHSA-N 487.704 5.520 5 40 JKBB CCCc1nc(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)n[nH]1 408632799 SVBDAMSJQUZCCR-UUASQNMZSA-N 469.306 5.450 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OCc1cccc(Cl)c1 2084811 QOAYOACIPOOIIU-MTJSOVHGSA-N 478.888 5.570 5 40 JKBB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2cccc(Cl)c2)c1 6442750 RFSMIFSROOPFIY-INIZCTEOSA-N 493.976 5.924 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 8809616 GGQIUFRXWFYJPR-LJAQVGFWSA-N 474.516 7.288 5 40 JKBB O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8898673 WKARCIMOVWTKMM-UHFFFAOYSA-N 480.735 5.777 5 40 JKBB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 9367884 MDKJFJJKMKHIPV-UHFFFAOYSA-N 460.334 5.948 5 40 JKBB CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 9380239 CKCYBZKZFCMJHZ-VTLMBFNKSA-N 486.333 6.041 5 40 JKBB Cc1nc(-c2ccc(CCNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)s2)cs1 24488835 LFVRDXLFONRNIR-UHFFFAOYSA-N 459.596 5.007 5 40 JKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1[N+](=O)[O-] 72229236 QREBQPHRJNVCAG-GFCCVEGCSA-N 452.736 5.642 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102453427 YWQAJDBZRLMAKH-NDEPHWFRSA-N 481.552 6.630 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224946862 MYJOCSFLJPRIBR-UHFFFAOYSA-N 478.302 6.240 5 40 JKBB C[C@H]1CCCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 9009869 SCASMDVWUWDPBY-SFHVURJKSA-N 467.569 5.475 5 40 JKBB Cc1cccc(-c2nnc3sc(-c4cc(-c5ccc(Cl)cc5[N+](=O)[O-])oc4C)nn23)c1 67299860 YCEXIRCHIACCQZ-UHFFFAOYSA-N 451.895 5.958 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223997834 DZWXDGJSYPPNNT-RPBOFIJWSA-N 499.552 5.385 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)c1 408571910 PVERCBBXMOHRLZ-XMMPIXPASA-N 460.559 5.573 5 40 JKBB Cc1cccc(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 408751442 ZLMVTEFXSASPTA-UHFFFAOYSA-N 461.524 5.606 5 40 JKBB COc1cc(CNc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409116499 MCCFJXUMXQEWHO-UHFFFAOYSA-N 490.297 5.399 5 40 JKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cc2cc(Cl)ccc2o1 409364323 XFNNRCPAZDZHAS-UHFFFAOYSA-N 471.926 5.312 5 40 JKBB Cc1cc(-c2csc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])n2)c(C)n1Cc1ccccc1 3400295 OIGCFFSDINGNOQ-OUKQBFOZSA-N 458.543 5.837 5 40 JKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(OCc2ccccc2)c1 8835231 OEYUPICICFKEKZ-UHFFFAOYSA-N 486.347 5.063 5 40 JKBB COc1ccc(CNc2cc3oc4cccc(C)c4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 9311281 VKNXUXIBBJJXAP-UHFFFAOYSA-N 462.505 5.870 5 40 JKBB Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c([N+](=O)[O-])cc1C 9670330 HOUSLCQYOUGLHS-UHFFFAOYSA-N 497.964 5.496 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(Cc5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1 10120110 OHJUISPBWFPXCH-UHFFFAOYSA-N 453.454 6.148 5 40 JKBB COc1ccccc1N(C(=O)c1cc2ccccc2o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 12549134 VRLKVIDTCDSYNK-UHFFFAOYSA-N 471.494 6.452 5 40 JKBB O=C(c1ccccc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 33692460 AHURZYADMOBBMO-ZUDLOMHPSA-N 482.496 5.940 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 214614277 LFIZEIVAKYPOGT-RGVLZGJSSA-N 499.342 6.162 5 40 JKBB Cc1cc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)o2)cc([N+](=O)[O-])c1C 408634436 REEPUWDBYCBUJZ-JAIQZWGSSA-N 497.916 6.393 5 40 JKBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1 409331188 CVNGUWQZSWHNPD-IBGZPJMESA-N 470.536 5.901 5 40 JKBB Cc1cc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)ccc1Br 2213806 MABVEDSXBYGTAE-UHFFFAOYSA-N 460.291 5.615 5 40 JKBB COc1ccc2c(-c3cc4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4oc3=O)cc(=O)oc2c1 2360178 GIUBFOMGNJTUIY-UHFFFAOYSA-N 471.421 5.062 5 40 JKBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 3318471 MEKJNTZAALEIFQ-UHFFFAOYSA-N 458.253 5.172 5 40 JKBB O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)c1ccc2c(c1)OCCO2 3407635 LXTMSNCHELCYBM-UHFFFAOYSA-N 473.510 5.194 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C 6471881 XPDXDRYYPOAONP-RBISFHTESA-N 499.611 7.079 5 40 JKBB Cc1ccc(Sc2ccc(COC(=O)Nc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])cc1 8762951 AMGLYRNZAAGRAI-UHFFFAOYSA-N 463.342 7.110 5 40 JKBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 8831472 DJQSBKZETFFCRK-UHFFFAOYSA-N 466.519 5.110 5 40 JKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 9186446 JUEHHHMJQHKUIF-MFOYZWKCSA-N 463.660 6.160 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]c(C(F)(F)F)c3-c3ccc(Cl)cc3)c(O)c2)cc1 9281175 KDUZDEFXCRMKQP-UHFFFAOYSA-N 489.837 6.609 5 40 JKBB COc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 16643859 KOQQBYNBCAVFRS-UHFFFAOYSA-N 455.854 5.260 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 21124777 ZAHSYSUKFVSVOP-UHFFFAOYSA-N 452.206 5.331 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1 408571845 PRWPKQDZAZXSHL-RUZDIDTESA-N 490.585 5.582 5 40 JKBB O=C(O)/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634435 RDPOMGCJPUCCHS-PDGQHHTCSA-N 468.878 5.307 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408696237 YIUPJHYZLUKNFL-UHFFFAOYSA-N 488.718 6.055 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 408771332 FNWPQJOGKHFMDN-GJFKPFFXSA-N 461.543 5.336 5 40 JKBB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 408989055 JOZCWKVSMBDNGV-UHFFFAOYSA-N 491.569 6.219 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409018621 NJOIFFMPKFZTLH-UHFFFAOYSA-N 490.475 6.638 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 409184189 XWSJOMFJKNVFIA-HHHXNRCGSA-N 451.478 5.894 5 40 JKBB Cc1cc(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 3325822 DUZVRNQRLNPNIL-UHFFFAOYSA-N 456.907 5.503 5 40 JKBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cc(Cl)ccc1Oc1ccccc1 3450548 PSXXKXGYHIKZIV-UHFFFAOYSA-N 492.871 6.096 5 40 JKBB CC(C)(C)c1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 12485525 BJCCTOQITFVGFK-UHFFFAOYSA-N 477.362 6.089 5 40 JKBB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2S/C=C/c2ccc([N+](=O)[O-])o2)cc1 96936376 CASIEQPJIOCHID-XXGYVPGJSA-N 475.482 5.373 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccco1 102788393 FIXAMUNRUJXBJH-MRDQGFSESA-N 457.486 6.148 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 106702530 PYVDXJFMRLZFDA-QFEZKATASA-N 483.549 6.143 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408729751 CJTPXDLICMGYNC-QFIPXVFZSA-N 497.960 5.781 5 40 JKBB Cc1nn(CC(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)c(C)c1[N+](=O)[O-] 797430 PRLQERDCXVYBCV-UHFFFAOYSA-N 494.454 5.910 5 40 JKBB CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C 2053021 FVNUNIDBZQIAGI-RXFWQSSRSA-N 471.557 6.298 5 40 JKBB O=C(Nc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 2229483 SWZUSAJRJHNWEX-UHFFFAOYSA-N 450.501 5.284 5 40 JKBB Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1C 6443211 SCGRPHHSMHFHBK-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB COc1ccc(-c2ccc(Cn3c(Cc4ccccc4)nc4ccc([N+](=O)[O-])cc4c3=O)cc2)cc1 7060296 KLLBPCGBDOJGEW-UHFFFAOYSA-N 477.520 5.619 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4cccc(Cl)c4)cc3c3ccnc2c31 8792395 AQXXVNBUTWJQMG-UHFFFAOYSA-N 470.912 5.842 5 40 JKBB biogenic Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 8810600 PBULIXLMJJOIPQ-UHFFFAOYSA-N 498.319 5.402 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 8926565 OKLBBIIWLMVOBQ-UHFFFAOYSA-N 487.921 5.218 5 40 JKBB CSc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc(C)cs2)c1 9468098 LXMWNFNJMXXNBN-UHFFFAOYSA-N 475.573 5.028 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)o2)c([N+](=O)[O-])c1 10035121 XEXPMBPDSTYCGC-UHFFFAOYSA-N 473.451 6.425 5 40 JKBB O=C(C[C@@H](c1ccccc1)C([C@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-])c1ccccc1 18096391 SBZQETAJBOAVFV-SWRQNJEFSA-N 477.560 6.745 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214569614 BNSNLQJZUYCZHG-ZVHZXABRSA-N 490.537 5.727 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214982297 LUZIZZXWMWGTTR-LPYMAVHISA-N 480.929 6.064 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223829864 IFMRVRLSAFBHGG-RPBOFIJWSA-N 485.569 5.356 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccccc1 408569077 IRJRGZPLUYAFHK-HSZRJFAPSA-N 480.977 5.918 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409317167 SEDQIRAJQPUFNF-ZYAQVELZSA-N 453.542 6.452 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409347912 OSRIXOZRFHHQPC-OEAKJJBVSA-N 474.494 5.093 5 40 JKBB CCCCCSc1nnc2c(n1)O[C@@H](c1c3ccccc3cc3ccccc13)Nc1ccccc1-2 2742090 FCDBCWYVZHRJFP-MHZLTWQESA-N 478.621 7.630 5 40 JKBB CCOc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 6600703 SZWONFPBJJTSOV-UHFFFAOYSA-N 484.481 5.262 5 40 JKBB aggregator Cc1ccc(NC(=O)N2[C@@H](c3ccccc3)COC23CCN(c2ccc([N+](=O)[O-])cc2)CC3)cc1 8857340 NONPXZCGPLBFRH-RUZDIDTESA-N 472.545 5.505 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OCC)cc1 8871136 CZFXNQBUHOZVOS-UHFFFAOYSA-N 483.572 5.349 5 40 JKBB CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 9109320 OBLXETFMZMABFM-JOCHJYFZSA-N 499.504 5.459 5 40 JKBB CCCCCC(=O)Oc1cn(-c2ccc(F)cc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124195 KYNAMZAXEJGMJI-UHFFFAOYSA-N 486.591 7.184 5 40 JKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 9125088 WQQNIJFWXUXHCL-UHFFFAOYSA-N 461.474 5.236 5 40 JKBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1Cl 12621073 YTTSZHFKFJJMEO-UHFFFAOYSA-N 494.813 5.201 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nc2ccccc2s1)c1ccccc1 13063019 RVEQHRFPNQRHKG-IBGZPJMESA-N 455.948 6.330 5 40 JKBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)cc3n2)cc1 13371656 PFEOQVVYBQISMV-UHFFFAOYSA-N 453.458 5.458 5 40 JKBB O=C(NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccc(C(F)(F)F)c1 17200970 AYFXKAOHXWWKQP-UHFFFAOYSA-N 499.514 6.291 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 103831160 TZXUXQZKOPRPBC-UHFFFAOYSA-N 485.209 5.101 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224215556 ZVFUAJNQHHVJDY-BJKOFHAPSA-N 456.527 5.735 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 226363912 YEEXRIRNMDIILP-JLHYYAGUSA-N 488.952 7.659 5 40 JKBB Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)cc1Cl 408612187 UUMHZNSSHAZPCL-UHFFFAOYSA-N 460.317 5.840 5 40 JKBB CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O 408766741 FUFFOUBPCWGXRM-VIZOYTHASA-N 458.801 5.725 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409179346 QOQUOKYJESSQOU-UHFFFAOYSA-N 486.505 6.601 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)c(Cl)c2)cc1 409206988 YBGQHDPNENTARV-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB Cc1nn(C(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1Sc1ccccc1[N+](=O)[O-] 2690576 FNVAMAKVVDESRD-UHFFFAOYSA-N 480.373 6.366 5 40 JKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 3115519 VDYPMPFCWPLJKS-YVLHZVERSA-N 473.666 5.615 5 40 JKBB CCc1cccc2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc(-c3ccccc3)nc12 6860510 YFAGIHYWURSRCX-UHFFFAOYSA-N 478.961 6.152 5 40 JKBB Cc1cccc2oc3cc(NCCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 8741373 YMVMKWRGNSCKJJ-SFHVURJKSA-N 481.596 5.783 5 40 JKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)oc2c1 9190343 SLVAKXNDPQLXEA-UHFFFAOYSA-N 498.347 7.485 5 40 JKBB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 12595326 MUIOEFXBXGFMNK-UHFFFAOYSA-N 452.271 5.795 5 40 JKBB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc([N+](=O)[O-])cc1Cl 12844425 LJQXADZYRSERTJ-UHFFFAOYSA-N 458.805 5.048 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(F)cc1Cl 215116260 DAOHEBWIPCEYIO-SSDVNMTOSA-N 498.919 6.203 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)Oc2ccc(Cl)cc2Cl)o1 409004971 COCSQQUONYFYNQ-LLVKDONJSA-N 483.333 5.464 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 409169311 XCEYLTJRSOBFKG-NYYWCZLTSA-N 492.340 5.354 5 40 JKBB COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 409171936 FDGQPYJPLOFSJI-UHFFFAOYSA-N 461.499 5.558 5 40 JKBB Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409180537 WOGYLFGOQUAUAY-DEOSSOPVSA-N 476.872 5.993 5 40 JKBB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(Oc4cccc(Cl)c4)cc([N+](=O)[O-])c3)nn12 829542 LAGVLFOHAYFGIK-UHFFFAOYSA-N 499.914 6.311 5 40 JKBB Cc1cc(C)c2nc3sc4c(SCC(=O)NCc5cccs5)ncnc4c3cc2c1 1327837 CDDSLVWVUPFPKW-UHFFFAOYSA-N 450.614 5.480 5 40 JKBB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1 8854750 WIZPILKXRNDVFI-HAHDFKILSA-N 470.481 5.456 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232833 GRWOGGPTOQRUJH-LPYMAVHISA-N 480.929 6.064 5 40 JKBB O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)ccc1Br 13564470 PNBHUMCJJGSEFE-UHFFFAOYSA-N 489.156 7.388 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc12 20428694 ZJSFKDGCFLKFNN-UHFFFAOYSA-N 458.495 5.562 5 40 JKBB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 22576326 PUGWCNAZTGZZMW-WUXMJOGZSA-N 465.893 5.067 5 40 JKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2)cc1 38752933 FGSXUOUTGZCOTN-UHFFFAOYSA-N 462.571 5.995 5 40 JKBB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57333733 HLVZTXUICJCBRH-UHFFFAOYSA-N 464.890 5.596 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 59489692 GVHYSNVABNPALP-UHFFFAOYSA-N 469.519 5.897 5 40 JKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 223320937 QXHJMBPTBVCNBY-CUNXSJBXSA-N 487.600 5.001 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1C 408571030 MWUUHIQZJPPCFN-VWLOTQADSA-N 474.586 5.882 5 40 JKBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)ccc1[N+](=O)[O-] 408574019 HEIBGTVHDPZINV-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C(O)/C(=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1 408634109 PEKIIQWMQCVFKF-DEDYPNTBSA-N 450.497 6.105 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1-c1nc2ccccc2s1 409258496 UHTMMOVQZMTZIP-UHFFFAOYSA-N 495.276 7.445 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Br)cc2)o1 8895119 UAHVSQSDNLEZNF-UHFFFAOYSA-N 494.754 5.706 5 40 JKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224493259 YHGVHJBENDZWDJ-OAQYLSRUSA-N 492.403 5.310 5 40 JKBB CCC1(CC)C[C@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2O1 225569026 BGKNXRYNGVUWPI-GRBCXPRBSA-N 456.542 6.334 5 40 JKBB O=C(CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 408582024 LDQZTGHRYBHSMV-UHFFFAOYSA-N 498.280 5.808 5 40 JKBB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409018257 SOQSMPDASUIQON-WQRHYEAKSA-N 471.947 5.554 5 40 JKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C 8832277 YGEVPJSMDGUWOT-ZZXKWVIFSA-N 470.117 5.089 5 40 JKBB CC(C)C(=O)Oc1cn(Cc2ccc3c(c2)OCO3)c2nc(C(C)C)n3c4ccccc4nc3c12 9124590 TYRDIDOODQBIKR-UHFFFAOYSA-N 470.529 5.299 5 40 JKBB CC(C)(C)c1ccc(Oc2ccc(/C=C(\CC(=O)O)c3nc4ccccc4s3)cc2[N+](=O)[O-])cc1 15978933 WNTCBILOYPMIJS-NBVRZTHBSA-N 488.565 7.310 5 40 JKBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 36619630 FZQSDUUYNATYJZ-RUZDIDTESA-N 482.496 5.220 5 40 JKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1O[C@@H](C)CC 225757227 AOLDYDGWKVPOLR-SFHVURJKSA-N 468.550 5.789 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408566628 FTYIQMDONJQNFG-LJQANCHMSA-N 475.759 7.116 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1 408572310 QVTGJPQRAUSOSZ-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 408768162 CKJQQDVCTFAVAC-LMSRTUJASA-N 491.569 5.344 5 40 JKBB CCCC[C@@H](CC)Cn1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 2352825 CZFVZDWEBHETND-OAQYLSRUSA-N 476.665 7.204 5 40 JKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8898802 DEAFRPVHZSAAJC-UHFFFAOYSA-N 474.542 5.269 5 40 JKBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccccc1Cl 8915127 SGAJEMCAPSCVHD-UHFFFAOYSA-N 465.830 5.407 5 40 JKBB CC(C)(C)[C@@H]1CC[C@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]2C1 8974188 UTHVRYMNNMKNFX-FBJLLXQBSA-N 480.586 6.240 5 40 JKBB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1OC 14185717 VCLQYNCCDOPNHU-KRWDZBQOSA-N 485.587 5.505 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 20353318 OEDOZVFHACPZGA-HNNXBMFYSA-N 488.569 6.352 5 40 JKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2ccc(OC(F)(F)F)cc2)c1 44088051 CKBZVTSCQWBSAB-UHFFFAOYSA-N 471.460 6.638 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(F)cc1Cl 205702044 GSULVMJHDWMVPV-VXLYETTFSA-N 458.854 5.884 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(F)cc1Cl 215106121 FVQJUDJNUJCAKE-SSDVNMTOSA-N 498.919 6.203 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224448625 PWZJZUQEHYEZHG-DNQXCXABSA-N 490.516 5.575 5 40 JKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 408923988 IWCPGCDOMQFYRG-MDWZMJQESA-N 471.922 5.009 5 40 JKBB COc1ccc2cc(-c3nc4c([nH]3)c3c(C)coc3c3ccc5c(C)cccc5c34)c(=O)n(C)c2c1 1547203733 DMLSYWNWKQJTBG-UHFFFAOYSA-N 473.532 6.760 5 40 JKBB biogenic CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 725265 WNHAILDUNVAQMH-DFBJGRDBSA-N 457.530 5.908 5 40 JKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@@H](C(Cl)(Cl)Cl)O[C@H]2C(Cl)(Cl)Cl 1615451 FHFYDARLLMBMPK-HTQZYQBOSA-N 460.868 5.020 5 40 JKBB O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1 1848268 FDYFLDMYTXFGRZ-DEOSSOPVSA-N 470.437 5.221 5 40 JKBB O=C(O)c1cc2oc3ccccc3c3ccccc3oc2cc1C(=O)Nc1ccc(Cl)cc1 2079628 YRYAGCOLTMXMRE-UHFFFAOYSA-N 457.869 7.061 5 40 JKBB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)cc1Cl 2988960 CRPPMOURDIUITC-GRSHGNNSSA-N 484.873 5.443 5 40 JKBB O=[N+]([O-])c1cccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3C(F)(F)F)n2)c1 3766618 PVXOFDGBJIRXBT-UHFFFAOYSA-N 450.829 6.243 5 40 JKBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)Nc1ccccc1Cl 9507306 AZRHTVMFMRZUIQ-YRNVUSSQSA-N 495.944 6.054 5 40 JKBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 12541440 CTAQPURCYVBABG-AWEZNQCLSA-N 484.430 5.411 5 40 JKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14277747 RGNAUJKDCZUVJG-UHFFFAOYSA-N 494.290 7.222 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1C 21595853 UGWZUWKAMARVEQ-SDNWHVSQSA-N 479.492 6.932 5 40 JKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1 44086555 KVXMQBUGNKBVMD-UHFFFAOYSA-N 458.543 5.795 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214490299 OVRSNYCQSBGUNU-ZMOGYAJESA-N 490.537 5.727 5 40 JKBB CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)O2)cc1 408737018 GSUGFQUHQMYXHH-KQWNVCNZSA-N 470.481 5.456 5 40 JKBB COc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408836338 QDLDYKGINDPHQZ-UHFFFAOYSA-N 465.918 6.300 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408973310 AMUHLASSPRZZOF-UHFFFAOYSA-N 469.426 6.151 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4c5ccccc5C[C@H]43)cc2)cc1 408993252 CZBMHTFUGVIZSK-FGUUHEIUSA-N 493.519 6.553 5 40 JKBB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 843991 XHKPJXQZDNTMSK-UHFFFAOYSA-N 452.422 5.881 5 40 JKBB CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)cc1[N+](=O)[O-] 1069367 OYUWOZFNQLLWDR-SANMLTNESA-N 497.555 5.888 5 40 JKBB Cc1ccc(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2775284 FAMYSUUOXUFCTO-UHFFFAOYSA-N 452.444 5.002 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12)Nc1cccc(C(F)(F)F)c1 8445949 IMTIOEAFEVFVSN-UHFFFAOYSA-N 489.522 7.200 5 40 JKBB COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c(C)cc1[N+](=O)[O-] 9544897 IBXSDYQJZRAANO-BEFAXECRSA-N 496.593 5.047 5 40 JKBB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1S[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 12546327 LRQUXOZHBIJVPF-KRWDZBQOSA-N 492.988 6.529 5 40 JKBB O=C(C1CCCCC1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 12631413 MZOBLMHJOUWZBD-HBSZIVNGSA-N 488.544 6.206 5 40 JKBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c(C)n1Cc1ccccc1 12644966 CIRIWVFSQVDMSO-UHFFFAOYSA-N 489.572 5.482 5 40 JKBB O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 12834098 LNIDATCJFOBVCD-UHFFFAOYSA-N 481.939 6.264 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102501388 XYAZDZOBEGQKKS-SANMLTNESA-N 498.608 7.258 5 40 JKBB COc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 113928919 CTCXMAMCSNNZCY-MUUNZHRXSA-N 479.536 5.965 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1 224760271 OGRJKHNOMWPBGY-XZOQPEGZSA-N 474.567 5.911 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nc2ccccc2[nH]1 408633431 KMVPTFSUHDGGJL-ZDLGFXPLSA-N 486.303 5.711 5 40 JKBB O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1 408974525 AYXOHGPDSGORFP-HXUWFJFHSA-N 455.521 5.509 5 40 JKBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=S)Nc1ccccc1C)CC2 2718177 ICSNMNPWSLBDQF-QHCPKHFHSA-N 493.585 5.296 5 40 JKBB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3Cl)nc2c1 3767937 VBQOLTLAXFLNLF-UHFFFAOYSA-N 487.899 7.186 5 40 JKBB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(-c2cccs2)nn1-c1ccc([N+](=O)[O-])cc1 4293487 XKTNAVZZRTVEMT-UHFFFAOYSA-N 464.459 5.261 5 40 JKBB biogenic CC(C)CCNC(=O)CSc1nc2ccc(Br)cc2c2nc3ccccc3n12 9473227 IDQSDDWHBARJAO-UHFFFAOYSA-N 457.397 5.053 5 40 JKBB O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 12137265 LZQLLFSENBPRGH-UHFFFAOYSA-N 462.742 5.227 5 40 JKBB CCN(C(=O)COC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1cccc2ccccc12 12632748 WCRHSLAOFFGUGR-WOJBJXKFSA-N 489.572 5.440 5 40 JKBB COC(=O)c1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c(F)cc1F 12767393 NAIPVJKDJVPUEN-UHFFFAOYSA-N 492.818 5.366 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccccc4[N+](=O)[O-])o3)nc12 13643743 HHEFVXJIBWZTFK-UHFFFAOYSA-N 472.486 5.251 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(F)cccc1Cl 16196282 BWOHSVPOAMIYFN-UHFFFAOYSA-N 459.905 5.177 5 40 JKBB CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 17253645 DZQLBFSYEPOYJZ-PRTDMIOVSA-N 471.557 5.909 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[N+](=O)[O-])cc1 32124941 GEGUJQQCDGLNLS-XKZIYDEJSA-N 480.542 6.430 5 40 JKBB CC1=C[C@@H](CN(C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 35442695 AJOTUSLDCBFHSQ-LSQMVHIFSA-N 475.593 5.569 5 40 JKBB biogenic,in-vitro Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)O[C@H](C)C(=O)Nc5ccccc5[N+](=O)[O-])(C4)C2)C3)cc1C 103493418 ZXSCVVNSLZJURZ-VGUZYGKZSA-N 476.573 5.620 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-] 409053803 PXGVMLMYRSZOFQ-UHFFFAOYSA-N 464.434 5.685 5 40 JKBB Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)S3)cc1 409195200 NMTBRMGVCKKWKD-HSZRJFAPSA-N 457.515 5.173 5 40 JKBB O=C1S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409366235 ZHXXUMLYVFJKIA-JMIUGGIZSA-N 497.872 6.190 5 40 JKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 1797944 JTNNMFLSNAGVCJ-UHFFFAOYSA-N 461.377 5.965 5 40 JKBB O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 1807622 QLEWQUIBGFFCMW-UHFFFAOYSA-N 497.894 6.870 5 40 JKBB COc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nnc2-c2ccccc2)cc1 3399818 VIWUDLLURMRQFF-UHFFFAOYSA-N 476.514 5.010 5 40 JKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2cccc(I)c2)c1 8914360 QJLCYFHKESXHLA-UHFFFAOYSA-N 493.264 5.149 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12)Nc1cccc(Cl)c1Cl 9057297 HZJXPZRZMNELDG-UHFFFAOYSA-N 490.415 7.488 5 40 JKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 9144471 HFKJMUJSVHJJGZ-UHFFFAOYSA-N 459.981 6.080 5 40 JKBB CC(C)CC(=O)Oc1cn(CCc2ccccc2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9243516 RVVJQZJGMBVSEG-UHFFFAOYSA-N 468.601 6.230 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2cc([N+](=O)[O-])ccc21 12561979 BKIPMVLCWLIWBZ-UHFFFAOYSA-N 486.912 5.466 5 40 JKBB COc1cccc(N(C(=O)COc2cc(C)cc(C)c2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 13149213 FDKYYNOSJSJKHS-UHFFFAOYSA-N 489.553 6.087 5 40 JKBB CCOC(=O)c1c(C)n(-c2ccccc2)c2c1cc(OC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 17297426 LSBQQSYONPLPLN-UHFFFAOYSA-N 494.503 6.396 5 40 JKBB O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)c1cccc(Cl)c1 35264344 XYYQLVGCFOIJMD-UHFFFAOYSA-N 474.698 5.515 5 40 JKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106743676 FNTFTDUSLTUIOB-WQRHYEAKSA-N 472.931 6.229 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1C 408569889 KDUXCFFBIUKDNC-RUZDIDTESA-N 492.576 6.021 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 408768163 CKJQQDVCTFAVAC-RISWYLRJSA-N 491.569 5.344 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409199022 AQYDREBTGSACFD-RGVLZGJSSA-N 497.916 6.075 5 40 JKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc2ccccc2c1 409332941 TUUOJFHIWRYARC-XFXZXTDPSA-N 459.458 5.097 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1C 2251092 PDUJMYAUEHMHMC-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)cc1C 2307564 RHLUFHSKXWPZDT-UHFFFAOYSA-N 459.553 5.452 5 40 JKBB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 8831772 XCSWZVWFQWRTAU-INIZCTEOSA-N 464.547 5.360 5 40 JKBB Cc1cc(NC(=O)COC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1C 12616958 WENGPJWCWIUKFL-QHCPKHFHSA-N 450.516 5.227 5 40 JKBB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 13946217 UAORPAZSCURPLD-UHFFFAOYSA-N 471.321 6.600 5 40 JKBB Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-] 14272013 NLWHFXNVIKVATJ-UHFFFAOYSA-N 458.326 6.739 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl 14278341 ZDJAVBWOEQPBJE-UHFFFAOYSA-N 476.920 6.217 5 40 JKBB CCc1ccc2ncc3c(-c4cccc(Br)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183624 JCDCCFHQIDOICG-UHFFFAOYSA-N 473.330 6.474 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(NC(=O)c2cccs2)c1 21595495 UZYFIPJNEWENQX-ACCUITESSA-N 459.483 5.821 5 40 JKBB Cc1cc2nnc(Sc3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])n2c2ccccc12 33622496 FEQAIPWYHDULHW-UHFFFAOYSA-N 491.554 5.051 5 40 JKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 59559246 VRMYABCPCQFIOZ-UHFFFAOYSA-N 482.540 5.429 5 40 JKBB O=[N+]([O-])c1cccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nc(C(F)(F)F)nn32)c1 102950023 IMEKDYBYHBUQKY-HNNXBMFYSA-N 466.217 5.024 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 408566244 FDQXTAYYOOIYAT-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1 408567192 GRJTYIMDIPMIHS-FQEVSTJZSA-N 499.336 6.066 5 40 JKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)c(Cl)c2)c1 408693603 AUOSGBPTWLRYLJ-UHFFFAOYSA-N 468.300 5.710 5 40 JKBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4cc(Cl)ccc4OC)NC3=O)o2)c([N+](=O)[O-])c1 408800316 LVAAUVZTEFAQQB-UHFFFAOYSA-N 486.913 5.288 5 40 JKBB O=C1OC(c2ccco2)=N/C1=C/c1ccccc1OC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 408839081 MSLJVAGDXDCSJZ-XNTDXEJSSA-N 494.868 5.620 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408919600 YULZDBNWUYYQHY-LPYMAVHISA-N 480.929 6.064 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2C1CCCCC1 2247311 XULOTVDQHCMVRZ-UHFFFAOYSA-N 457.965 5.810 5 40 JKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3cccc(Cl)c3n2)cc1 8722088 SZUFMAWHJYZFPU-UHFFFAOYSA-N 476.872 5.512 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C 9064620 LPVFNRWHYIQQHP-UHFFFAOYSA-N 464.330 5.905 5 40 JKBB O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 9086428 TWHRUEBSETZMFV-JLLPCOHGSA-N 475.342 5.345 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 10119754 FYQOYTOGNQOFSI-UHFFFAOYSA-N 480.318 6.289 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 14272362 OTFRVXWVYSCGRI-UHFFFAOYSA-N 453.454 6.532 5 40 JKBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1ccc(COC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 25424835 JLORYOFCSZFXEX-WXUKJITCSA-N 488.452 5.016 5 40 JKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Sc3nncs3)cc2)CC1 70040621 CMNBYSKXXIZBQC-UHFFFAOYSA-N 455.565 5.086 5 40 JKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl 108983810 KPLFTBMTEXBYCA-HXUWFJFHSA-N 488.013 5.669 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1 224251448 KUFDBGXVEATMFB-JWQCQUIFSA-N 486.553 5.744 5 40 JKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)Cc2ccc(F)cc2)c(C(C)(C)C)c1 226070389 NHNUGWJDVFCBSD-DEOSSOPVSA-N 460.654 5.454 5 40 JKBB O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363353 SGMXUYRKHAJRCL-UHFFFAOYSA-N 483.332 7.605 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1c[nH]c2ccccc12 408570871 MCVMAFAHPYUFTG-FQEVSTJZSA-N 469.310 6.057 5 40 JKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2Cl)cc1 408677875 CDQDGJWBEUJSEP-JOCHJYFZSA-N 478.353 5.998 5 40 JKBB O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc2ccccc12 409173000 KGAHDMPCLBIWAY-UHFFFAOYSA-N 470.481 6.002 5 40 JKBB COc1ccccc1OCc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409179141 PZZWQYNQYPHEBV-MUUNZHRXSA-N 497.503 5.963 5 40 JKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 409180726 ZIULCNRBVYGCKL-XMMPIXPASA-N 466.877 5.134 5 40 JKBB C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)C[C@H](C)O1 1037949 AOOYUYSVKYMNDD-QWRGUYRKSA-N 495.768 5.145 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c([N+](=O)[O-])c1 1846921 PXLQQMFBLONEQW-UHFFFAOYSA-N 476.741 5.557 5 40 JKBB CC1(C)CC(OC(=O)c2c3ccccc3c3ccc4cccc5ccc2c3c54)CC(C)(C)N1O 5639601 FLQLHBSGRYKHTQ-UHFFFAOYSA-N 451.566 7.305 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(OC)c1 8836821 ZGVNPGKRJMOJGQ-UHFFFAOYSA-N 471.561 5.190 5 40 JKBB CCCCC(=O)Oc1cn(-c2cccc(OC)c2)c2nc(CCCC)n3c4ccccc4nc3c12 8871249 HXHHNCMFROJPQE-UHFFFAOYSA-N 470.573 6.273 5 40 JKBB CCCCC(=O)Oc1cn(Cc2ccc(Cl)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9243020 DAIOVZQTEFDKFA-UHFFFAOYSA-N 489.019 6.977 5 40 JKBB Cc1ccc2c(COC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)cc(=O)oc2c1C 12641850 SAXHVTVJZVTSOX-UHFFFAOYSA-N 450.491 5.055 5 40 JKBB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 13139988 MXQBPIVSIFKJQV-UHFFFAOYSA-N 476.371 5.019 5 40 JKBB O=[N+]([O-])c1cccc(Cn2nc(-c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)c1 13960811 OUKKKWOHTBAADV-UHFFFAOYSA-N 493.177 7.787 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 16525912 BZUYYPXVCWIJAT-UHFFFAOYSA-N 461.949 6.182 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)n1 97437080 WZHHHDJSUCNATG-PQXOPWJRSA-N 455.518 5.248 5 40 JKBB COc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1 409082236 ILXCJFILLPZGGY-UHFFFAOYSA-N 475.504 6.738 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nc3ccccc3c3nc(CCc4c[nH]c5ccccc45)nn23)cc1 2968839 FAAJPEMXDDFBNM-UHFFFAOYSA-N 480.553 5.745 5 40 JKBB CCOc1cc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 8721974 WZGULNMMYNMXHW-OAQYLSRUSA-N 481.530 5.054 5 40 JKBB COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1Br 9108909 JGVXHGRKHMPTNO-UHFFFAOYSA-N 494.345 6.407 5 40 JKBB CC(C)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Cn1c(-c2ccccc2)cc2ccccc21 9469898 KHKWXRVODCFRGF-UHFFFAOYSA-N 495.539 5.704 5 40 JKBB Cc1cc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)ccc1[N+](=O)[O-] 32114544 VIMBAFZHHTVMHJ-UHFFFAOYSA-N 487.899 6.536 5 40 JKBB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccc([N+](=O)[O-])cc1 100840587 OFSAYDZMVDYQKP-OAQYLSRUSA-N 472.892 5.148 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 408562871 SCHXCUHXDSIVQR-ATJXCDBQSA-N 494.798 5.864 5 40 JKBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCc1ccccc1 8792212 PIHNWVVJBDGPAW-IBGZPJMESA-N 475.548 5.108 5 40 JKBB biogenic COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1[N+](=O)[O-] 8835497 OLKNSZOJXVFJNB-QPJJXVBHSA-N 492.340 5.697 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)Nc3cccc(Cl)c3)cnc2n1Cc1ccc([N+](=O)[O-])cc1 13500035 LNIPPRKEGVNHEC-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 15981824 AHNKZNMOTLBTGU-HHHXNRCGSA-N 480.520 5.958 5 40 JKBB O=C(O)c1cc(-c2cn(Cc3c(F)cccc3Cl)c3ccccc23)nc2ccc3ccccc3c12 16526068 ISURVPXRZSPYAA-UHFFFAOYSA-N 480.926 7.549 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5o4)c3)cc2[N+](=O)[O-])CC1 20808437 AJVNSAPCIAXSFM-UHFFFAOYSA-N 490.947 6.545 5 40 JKBB Cc1ccc([P@](=Nc2cc([N+](=O)[O-])ccc2C)(Oc2cccc3cccnc23)C(C)(C)C)o1 21487139 OSTUHXQXGIHFHE-XIFFEERXSA-N 463.474 7.304 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100045978 MOVQFGJKLXATEJ-FRKPEAEDSA-N 468.219 5.743 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4c5ccccc5C[C@@H]43)cc2)cc1 408993261 CZBMHTFUGVIZSK-ZXRKZBAXSA-N 493.519 6.553 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409182808 OPERUDYAMVEREU-SANMLTNESA-N 487.895 6.822 5 40 JKBB CCOc1cc(CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409183010 REJGPNVCGPZTAM-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2257754 LFDMNSFEDDHSRQ-UHFFFAOYSA-N 495.926 5.022 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1ccc2c(c1)OCCO2)c1ccccc1 3297483 ZDBJYADRBXQBPI-OAQYLSRUSA-N 456.907 5.492 5 40 JKBB COc1ccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c(OC)c1 6239607 QPQUSCMPZKRNRD-UHFFFAOYSA-N 480.305 6.158 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 8831802 CRIBNGOKVQIKLF-XBXARRHUSA-N 455.257 5.757 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8919633 MXNCFJFGMMLGBA-FPTDNZKUSA-N 465.575 6.886 5 40 JKBB O=C(N[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1)OCc1ccccc1 9424091 FLYQXJXOJAQPDY-AREMUKBSSA-N 479.488 5.519 5 40 JKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2c(Cl)cccc12 14270394 DMCLSTAIYODJHP-UHFFFAOYSA-N 464.728 5.291 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccc(F)cc2)c(Cl)c1 16401813 HWOWDTPRLVBLNG-UHFFFAOYSA-N 464.324 5.821 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccc(Br)cc12 16492649 PQOIPPHIHYOVFT-UHFFFAOYSA-N 463.287 5.930 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1C 32116360 BDMYQWZDYMMPDG-UHFFFAOYSA-N 480.933 5.800 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1 214474045 LTAWZIADALOXLG-CIAFOILYSA-N 450.472 5.408 5 40 JKBB O=Cc1ccc(Sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 408580869 FBTYGDQUAJOOFU-UHFFFAOYSA-N 484.253 5.797 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 409238828 MBIDMHAXPYQCLA-LPYMAVHISA-N 480.929 6.064 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409356190 FWCXPULTOUZZEM-JJFYIABZSA-N 496.928 6.044 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2ccccc12 2751243 PMYUNBICVBQAND-UHFFFAOYSA-N 455.469 7.410 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 3105645 ZFHAOIZKZGXJLP-UHFFFAOYSA-N 468.334 6.433 5 40 JKBB O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8899192 ZQUNHHSIEQFNDM-UHFFFAOYSA-N 497.338 6.562 5 40 JKBB C[C@@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13068542 SZWAMLBDKCTFDC-GFCCVEGCSA-N 479.967 5.301 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2c3c(nc4ccccc24)CCCC3)c2ccccc2)c([N+](=O)[O-])c1 15978778 WZZUUDKHLKNPNG-HHHXNRCGSA-N 495.535 5.867 5 40 JKBB CSCC[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc2ccccc2[nH]1 40157388 GTXYZZJHGRJUDS-SFHVURJKSA-N 470.938 5.609 5 40 JKBB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 100187087 UHPPXIHCOSIWHP-DOOQXGAZSA-N 482.923 5.672 5 40 JKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 214228039 UNJBZNRRXCSVKT-SRZZPIQSSA-N 495.444 5.671 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214880837 ALSGKFFGBWLGKA-VXLYETTFSA-N 475.309 6.398 5 40 JKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 408562527 QRDYDXPXUIYNMI-FCQUAONHSA-N 454.508 5.055 5 40 JKBB Cc1ccc(Sc2ccc(/C=C(/Sc3nc4ccccc4[nH]3)C(=O)O)cc2[N+](=O)[O-])cc1 408631985 CCNLKCRZDSGVPQ-FYJGNVAPSA-N 463.540 6.149 5 40 JKBB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1 408658927 VGNCVYFHMOGWCZ-OXJNMPFZSA-N 492.915 5.083 5 40 JKBB CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757878 RHTOEFYUONUVFF-UHFFFAOYSA-N 486.915 6.012 5 40 JKBB Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3ccc([N+](=O)[O-])cc3)n2)cc1 409184373 XSZMXTPTATUIDO-UHFFFAOYSA-N 473.510 5.636 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)c([N+](=O)[O-])c1 409271912 FBPMLJOLLZLGCK-KEBDBYFISA-N 499.451 5.116 5 40 JKBB O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F 3335967 DRNMQQXJCJTIAU-UHFFFAOYSA-N 467.407 5.692 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)ccc1Nc1ccccc1 5011545 DGIVRNUFUOYOIS-UHFFFAOYSA-N 490.497 5.823 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc(C)cc4)CCC[C@H]3[C@@H]2c2ccc(C)cc2)n1 8455380 JUQKZCJFATZVTA-NQUWKTKFSA-N 483.572 5.865 5 40 JKBB Cc1c(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cccc1[N+](=O)[O-] 8833304 RKSOHEQHOUMTGI-SOFGYWHQSA-N 476.341 5.996 5 40 JKBB CO/N=C(/C)[C@@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 15134433 HMHVRHXNTPHLFZ-WOMMWWHSSA-N 460.615 5.411 5 40 JKBB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1[N+](=O)[O-] 33383870 XDAZZFKXXPQPOJ-UHFFFAOYSA-N 493.928 5.457 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(OC)cc1 102500011 GDRGSFMPKPNDGM-AFJIDDCJSA-N 497.551 6.564 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 214615765 ZTODPVXPPYQQCZ-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 224451954 DOFCKHUAGXIUCN-PKTZIBPZSA-N 460.490 5.566 5 40 JKBB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 408580654 DNDNVRRJUFHRCO-UHFFFAOYSA-N 462.453 5.418 5 40 JKBB O=C(Nc1ccccc1I)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408620185 KXMJXGCYAJZCMR-UHFFFAOYSA-N 468.634 5.365 5 40 JKBB COc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408828801 WBTINODNWFYKKS-UHFFFAOYSA-N 465.918 6.300 5 40 JKBB CCc1ccccc1N1C(=O)c2cccc3c(-c4ccc(C(=O)O)cc4)c([N+](=O)[O-])cc(c23)C1=O 408996471 PJEUCTDPLQIZMN-UHFFFAOYSA-N 466.449 5.476 5 40 JKBB O=C1N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1Cc1ccccc1F 409069168 HYJVDAFUKKHAED-MFKUBSTISA-N 497.482 5.559 5 40 JKBB Cc1ccc(C)c(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 2720966 XFVFLTNXBWCWQM-UHFFFAOYSA-N 499.552 5.123 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(Cl)c(Cl)c1 2751240 YBCXWMUOVQRWNH-UHFFFAOYSA-N 474.299 7.564 5 40 JKBB COc1ccc(-c2cc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c3ccccc3n2)cc1 3325960 PMTNJKRWMIYIIW-UHFFFAOYSA-N 472.453 5.042 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 8919993 ITULKGOXXIATSN-KPZWWZAWSA-N 478.412 6.389 5 40 JKBB CCCC(=O)Oc1cn(Cc2ccc3c(c2)OCO3)c2nc(CCC)n3c4ccccc4nc3c12 9124563 PZCCKKUONJMMLY-UHFFFAOYSA-N 470.529 5.272 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1 9289047 FZYWEMXLWQDXTE-VXKWHMMOSA-N 459.893 5.221 5 40 JKBB CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2Cl)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 16605543 SAJSUPBUUWZVLF-HHHXNRCGSA-N 489.959 5.464 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccccc2C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 19333507 CXDJFWRWJVWXTK-UHFFFAOYSA-N 493.607 6.581 5 40 JKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2[N+](=O)[O-])n1 103057634 BWSQTQSDIWBBJL-MWTRTKDXSA-N 489.619 5.095 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 113834102 HKVLBNUFXYDQNH-HYARGMPZSA-N 462.483 5.423 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 224029227 VJGFKFHTMVGEMB-ZEQRLZLVSA-N 486.509 5.156 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634964 VWAOGURWFQQSDQ-ZDLGFXPLSA-N 486.868 5.650 5 40 JKBB CCOc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408755826 GARRMFQUGWDFEX-UHFFFAOYSA-N 487.899 6.344 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408815110 ULEYHJHCJZYBCB-HAHDFKILSA-N 476.510 5.813 5 40 JKBB O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 409181810 FKMHBDOYDZTYAJ-AREMUKBSSA-N 480.476 5.628 5 40 JKBB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2438966 HRBMWWBDAFHWBY-UHFFFAOYSA-N 474.904 5.330 5 40 JKBB CC[C@H](OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)c1ccccc1 8722142 RFIOAMMMUDLZEF-FQEVSTJZSA-N 450.403 5.114 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)c(C)c1 8900396 PANRFKMITWFFLG-UHFFFAOYSA-N 492.967 5.697 5 40 JKBB CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 9380242 CKCYBZKZFCMJHZ-GSTQUKTASA-N 486.333 6.041 5 40 JKBB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)s2)cc1 9580082 VJOABUGXMDJNCA-UHFFFAOYSA-N 469.470 5.248 5 40 JKBB CCCCN[C@H](c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 12420147 GTRYXZDJZOWIHS-HSZRJFAPSA-N 488.613 6.553 5 40 JKBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 14269972 LVDGEHCZNZYBFC-UHFFFAOYSA-N 466.302 5.297 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102608727 XZSUPGBXGGWUIL-MUUNZHRXSA-N 481.552 6.630 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223833068 ZNXIFLSHPMDYAI-RPBOFIJWSA-N 486.553 5.826 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12 408557387 NCFUXPAIMIJZEZ-UHFFFAOYSA-N 493.357 6.710 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 408567099 GLIUQOHHJMPGKL-XMMPIXPASA-N 494.548 5.413 5 40 JKBB Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c(Br)c1 409237107 IZRZBEASYYIECP-ODLFYWEKSA-N 482.290 5.019 5 40 JKBB Cc1cc(Br)ccc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 2239271 RMGNXDOACFAWIX-UHFFFAOYSA-N 460.291 5.615 5 40 JKBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2cc(C)c(C)cc2C)n1 3430931 KKZTVSPDHRZTFK-UHFFFAOYSA-N 456.545 5.476 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(Cc2ccc(-c3ccccc3)cc2)c2ccccc2)c([N+](=O)[O-])c1 8435004 QVHBCAMQMMJOAU-UHFFFAOYSA-N 485.456 6.112 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccc([N+](=O)[O-])cc1 8926553 JCTDSQRZJZMCSH-UHFFFAOYSA-N 450.907 5.589 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 9720886 NYYHHOOJOODDCY-XKZIYDEJSA-N 480.929 6.064 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 9948588 VUTJSZKPICEAFE-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 10035115 CKUQOIWBHLDONJ-FYWRMAATSA-N 493.475 6.505 5 40 JKBB Cc1ccc(SCCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 13040905 GIEDKCTZQWZHBB-UHFFFAOYSA-N 469.950 5.331 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1Cl 16214912 PEEWGXWYBCYNBX-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214202419 YEJNHYGEUSHNCS-FSJBWODESA-N 494.500 5.558 5 40 JKBB CCOc1ccc(C(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1[N+](=O)[O-] 257173348 KTODXVZIGHTTFI-UHFFFAOYSA-N 465.453 5.314 5 40 JKBB CN(C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2ccccc2c1 408977131 ULQQNSPMTXSXOO-UHFFFAOYSA-N 480.531 6.701 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1c2c(nc3ccccc13)CCCC2 409180905 UIQQQMJXGZRTSE-HHHXNRCGSA-N 466.493 5.803 5 40 JKBB CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 2094854 INKANOPTSQXOQC-JOCHJYFZSA-N 465.535 5.173 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(C)c(C)c2)cc1 2246940 HXOUDVNHYDPPHL-UHFFFAOYSA-N 459.553 5.566 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2417612 ULGRTTZLGUWKSV-UHFFFAOYSA-N 463.944 5.965 5 40 JKBB O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(c2cccc(Cl)c2)CC1 8792352 QAVFXNWIBGHHEJ-UHFFFAOYSA-N 492.966 5.208 5 40 JKBB biogenic COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1Cl)CC2 11726266 GSASFJNEUPXTAA-JOCHJYFZSA-N 482.920 5.084 5 40 JKBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 12551720 ASAWXQKTJAEHAB-UHFFFAOYSA-N 470.982 5.847 5 40 JKBB Cc1cc(NC(=O)COC(=O)[C@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1C 12616962 WENGPJWCWIUKFL-HSZRJFAPSA-N 450.516 5.227 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14278166 JMLAAGRHBMOGNI-RMKNXTFCSA-N 486.336 6.937 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1 16689073 WTOCMAIZSODENS-UHFFFAOYSA-N 490.387 6.081 5 40 JKBB CCN(C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(C3CCCCC3)cc2)cs1 20178649 XPKTXLHRKADKKA-UHFFFAOYSA-N 450.564 6.824 5 40 JKBB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1 57313514 XFYLVIIKKTWUDZ-UHFFFAOYSA-N 470.529 6.200 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1O 79191732 RPPXYJPJLWFFOH-UHFFFAOYSA-N 489.528 5.615 5 40 JKBB biogenic O=C(Nc1ccccc1/N=c1/cc(-c2ccccc2)[nH]n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 103438294 KJCRNMQVFSKGOL-OHYPFYFLSA-N 475.508 5.865 5 40 JKBB C[C@@H]1[C@@H](n2c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)CCC[C@H]1C 195529331 MFWWICBCDMOQEH-SVQXRNPESA-N 480.590 5.421 5 40 JKBB COc1ccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1 408748713 BURKBMGBULUWEN-UHFFFAOYSA-N 477.523 5.306 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 408749443 GVZMJUXYRSCSIG-UHFFFAOYSA-N 499.957 6.101 5 40 JKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 408976940 TUZDYVFPANJGOD-RBSBEOHCSA-N 492.652 6.477 5 40 JKBB O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)NC(=S)N1C1CCCCC1 409076862 CLUPLCXJUHUTQC-MOSHPQCFSA-N 471.966 5.218 5 40 JKBB CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccccc3)c(=O)c2c1C 409112478 GSTMQXBONROVFG-UHFFFAOYSA-N 451.573 5.909 5 40 JKBB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c2ccccc21 409119923 UMQMCKYXOZLDRR-XKZIYDEJSA-N 462.933 6.370 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409174815 PEFRPWMHYLUPOY-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB CCCCOCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2360385 ZPJNLCYLYLORSW-UHFFFAOYSA-N 450.583 5.729 5 40 JKBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 2498566 NNKXDLKUSLJTOQ-UHFFFAOYSA-N 456.833 5.184 5 40 JKBB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 4013077 MVENOIDKNNLBBP-UHFFFAOYSA-N 460.508 5.106 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1[N+](=O)[O-] 8835344 PCXYWZKJIOLQST-UHFFFAOYSA-N 476.514 5.155 5 40 JKBB C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc(Cl)cc2Cl)n31 9292029 BUKYAETXWDAVIQ-SNVBAGLBSA-N 475.430 5.711 5 40 JKBB CCO[P@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)c2c(F)c(F)c(F)c(F)c21 9357763 OVMCPOVIANSVNC-XIFFEERXSA-N 479.326 5.605 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 9988244 GDDCNNAZNSIBJW-UHFFFAOYSA-N 459.553 5.053 5 40 JKBB COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(Br)cc1 12285217 MWXUFTCOFZBMOE-RWEWTDSWSA-N 494.301 5.597 5 40 JKBB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(c2ccccc2)=NN1C(=O)c1ccccc1Cl 16758421 PTAPYJSHRRHEDT-ZHZULCJRSA-N 463.902 5.367 5 40 JKBB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 21005753 UFEKCUKWBFCRKQ-HSZRJFAPSA-N 458.449 5.073 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 106724478 ATTIRPYXTCYYOV-JAIQZWGSSA-N 499.342 6.162 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)n1-c1ccccc1 408572018 QKIZRXCFBQTKME-HHHXNRCGSA-N 496.592 6.418 5 40 JKBB COc1cccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c1 409089612 JFFLBGMMBJRFNE-UHFFFAOYSA-N 475.504 6.738 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1CCCc1ccccc1 409148747 RDZARNDGOPOGLQ-KGENOOAVSA-N 468.918 6.177 5 40 JKBB Cc1ccc(CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)cc1 409240561 QMMNLCGHLQLWNA-WGOQTCKBSA-N 493.519 5.728 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Br)cc3)c2ncn1CCc1ccccc1 2318732 CLFFMIRXFVPZBQ-UHFFFAOYSA-N 496.368 5.289 5 40 JKBB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)c1 6442764 HEKFHDAYVDRRRO-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12 6860424 HDZKNFGAVRCTPT-UHFFFAOYSA-N 463.606 7.052 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 11916732 JLNDWYQJFISSIK-UHFFFAOYSA-N 487.537 5.243 5 40 JKBB COc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 12445984 MRGZFASGRKMTAN-HXUWFJFHSA-N 487.464 5.038 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 16428636 UGORLGUJTXNJBL-UHFFFAOYSA-N 480.779 6.336 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl 22712278 PJPYANQLVIAWRF-RMKNXTFCSA-N 476.341 5.996 5 40 JKBB O=C(c1ccco1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 34107887 ODAXEJLETUYBIE-BPGOTMFJSA-N 472.457 5.533 5 40 JKBB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)C1 225507248 GVUZVPZNPXPOSQ-NRFANRHFSA-N 465.594 5.546 5 40 JKBB Cc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408632066 DAGQHNSLCXWUJV-OYKKKHCWSA-N 484.537 6.000 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C 409171538 DEJNSSAFQMQUAR-NHDPSOOVSA-N 468.918 6.362 5 40 JKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 409181919 GRAKWHFATOWTJB-XMMPIXPASA-N 466.877 5.134 5 40 JKBB Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)cc1 409184379 XULPXGLGGHSLRQ-UHFFFAOYSA-N 487.533 5.931 5 40 JKBB CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 951565 PCJYKQPTSNJCDX-UHFFFAOYSA-N 464.341 5.282 5 40 JKBB O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 8763949 XXYLBVRBVPCPSD-UHFFFAOYSA-N 462.465 6.250 5 40 JKBB CCCCCC(=O)Oc1cn([C@@H](C)c2ccccc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9292696 DNOVUEFLTZKQSA-QFIPXVFZSA-N 496.655 7.665 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 9373676 PILXFOWYQSMJIY-IBGZPJMESA-N 495.973 5.978 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3Cl)o2)c([N+](=O)[O-])c1 10035087 UEFHSDFPLXEENG-UHFFFAOYSA-N 474.860 6.272 5 40 JKBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCc1csc(-c2ccccc2)n1 15910897 KNIDETPHVQICKV-LBPRGKRZSA-N 451.426 5.281 5 40 JKBB O=[N+]([O-])c1cccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)c1 20183646 FNKBPYPPIJUPRN-UHFFFAOYSA-N 463.266 6.051 5 40 JKBB O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Cl)c1 108189762 FIIYKVYPMPXNCR-UHFFFAOYSA-N 482.005 5.321 5 40 JKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc12 408542481 JRIWKKHNTCNFNF-KHPPLWFESA-N 495.329 6.565 5 40 JKBB CCCN(Cc1ccccc1)C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 409330913 ATEDFYXXGZFESI-UHFFFAOYSA-N 457.537 5.932 5 40 JKBB O=C(CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474806 DYGNVFVYIJQVPN-UHFFFAOYSA-N 494.964 5.172 5 40 JKBB COc1cccc2c1N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 13895358 JBPDKCFZPYJLNX-FMIVXFBMSA-N 470.597 6.418 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)O)c(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 20140635 LSOZXPWIXAPQDO-UHFFFAOYSA-N 451.218 5.121 5 40 JKBB COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C(C)C 223270264 FNPKKUOYNJVMGU-NTRYICDMSA-N 458.558 6.453 5 40 JKBB O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409182518 MBAVORPPYDHUPA-UHFFFAOYSA-N 466.298 5.091 5 40 JKBB O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Sc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 2772911 JOZGSCACKXBREC-UHFFFAOYSA-N 484.489 6.116 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)C(F)(F)F 3249666 DTZYXEDVANYPPS-UHFFFAOYSA-N 495.417 5.391 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3c3ccnc2c31 8738063 OXXYRQHGPOKCCJ-UHFFFAOYSA-N 481.464 5.096 5 40 JKBB biogenic COc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccc(Br)cc3c2=O)cc1 9164635 NAQCZZYZYKITIM-YIXHJXPBSA-N 478.302 5.235 5 40 JKBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccccc1 9507672 RKYSJFJSNGURBA-UHFFFAOYSA-N 495.948 5.235 5 40 JKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 72229264 SDERUYVCQKOLRQ-UHFFFAOYSA-N 452.736 6.008 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1 224451703 RACSCUPHXNYNFJ-DHIUTWEWSA-N 460.490 5.566 5 40 JKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 409100883 VSJLTMDWNSCVDH-NVMNQCDNSA-N 474.822 6.339 5 40 JKBB CC(C)(C)c1ccc2c(c1)O[C@@](NC(=O)c1cccc([N+](=O)[O-])c1)(C(Cl)(Cl)Cl)O2 1050522 ONWCELFWZIOOJG-LJQANCHMSA-N 459.713 5.118 5 40 JKBB O=C(Nc1ccccc1Nc1cc(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1)C(F)(F)F 3308219 BBXBQKVPZWNBAK-UHFFFAOYSA-N 467.407 5.692 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769586 PKAYMRIUJYDICY-WSDLNYQXSA-N 498.919 6.203 5 40 JKBB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1[N+](=O)[O-] 8832797 DWGQOBKYZDESQZ-UHFFFAOYSA-N 474.498 5.029 5 40 JKBB COc1ccccc1Cn1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 9243749 FFDVCVPNRRMOJL-UHFFFAOYSA-N 484.600 6.044 5 40 JKBB Cc1nn2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc(C(C)(C)C)nc2c1-c1ccccc1 9319315 HWCSZGLRMAMFFK-UHFFFAOYSA-N 475.574 5.641 5 40 JKBB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9404721 ZTDDHHFRHWDQSR-UHFFFAOYSA-N 465.560 5.571 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Br)cc3)n2Cc2ccccc2)cc1 12630844 WQVJZVGYCTZHDC-UHFFFAOYSA-N 481.375 5.956 5 40 JKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14269435 VDZCFSZXDMPYIO-UHFFFAOYSA-N 470.721 5.942 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 14274582 TXQIGKSXDIDBFT-XBXARRHUSA-N 480.304 5.827 5 40 JKBB COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1cccc([N+](=O)[O-])c1 16228429 IWZPYVWXMYTTMZ-OAQYLSRUSA-N 480.318 5.357 5 40 JKBB Cc1ccc(NC(=O)OCc2cccc([N+](=O)[O-])c2)cc1NC(=O)OCc1cccc([N+](=O)[O-])c1 16347550 GTXXUMAGCMZITQ-UHFFFAOYSA-N 480.433 5.309 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1 32115404 LOSNIKZMOFAJQW-UHFFFAOYSA-N 488.525 5.337 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 102761718 DBBQJJJRVZFRHU-SDHSZQHLSA-N 499.910 5.453 5 40 JKBB Cc1ccc(C[N+](C)(C)C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 226070373 UBKBWXHKDJPUNV-VWLOTQADSA-N 456.691 5.623 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(F)cc1 408569569 JOESDHGHKLICJT-QHCPKHFHSA-N 482.512 5.543 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cc(Cl)ccc2C)cc1 409262492 HKLBOYSKVJRGNJ-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccc(Br)cc1 585139051 CREFFEGIBYJEPK-UHFFFAOYSA-N 477.387 5.207 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Br)cc1 2076917 RFEPUHQGWAXOSD-UHFFFAOYSA-N 480.343 6.400 5 40 JKBB COc1cc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)ccc1OCc1ccccc1 6148191 QLWXZLAPGIXEPW-UHFFFAOYSA-N 459.549 6.682 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12 9057526 BEOVMVDBHMXKLM-UHFFFAOYSA-N 480.549 6.397 5 40 JKBB Cc1ccc(Nc2cc3oc4cc(Cl)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 9271749 MRZWGQMYGUOYCO-UHFFFAOYSA-N 452.897 6.646 5 40 JKBB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12 10187681 RNAAKIOIRXHDDE-UHFFFAOYSA-N 484.921 5.117 5 40 JKBB COc1cc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)ccc1OC(F)F 13643769 LSPGRXVLQLLJSB-UHFFFAOYSA-N 463.416 5.410 5 40 JKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1C 14272949 RCQFWNVIWVOBQG-GQCTYLIASA-N 470.117 5.089 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)nc2c1 18190646 PULNUCSKMFHGHH-UHFFFAOYSA-N 470.529 6.181 5 40 JKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 20610607 ZHYWZFBQOXKXJE-DTQAZKPQSA-N 493.523 6.364 5 40 JKBB O=[N+]([O-])c1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 39579373 YGRADYFXXMCYCL-RBBKRZOGSA-N 484.737 6.253 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 84517658 OICFMWBDNMEDPC-IJLJVSRUSA-N 471.944 6.685 5 40 JKBB c1ccc2c(c1)ccc1ccc3ccc4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4c3c12 100074301 LKCSSGNXXHZCJW-UHFFFAOYSA-N 478.594 10.912 5 40 JKBB in-vitro O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106743664 GLURWXNINLRHQY-UUASQNMZSA-N 454.247 5.046 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 224036977 LWVMJCQZYHKVGR-BJKOFHAPSA-N 486.509 5.156 5 40 JKBB COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] 409330173 JXMXSNOFEFXAPN-MHZLTWQESA-N 465.509 5.969 5 40 JKBB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2218194 GQLPTZCWKBGLGI-QFIPXVFZSA-N 483.505 5.678 5 40 JKBB COc1ccc(-c2csc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C(=O)OC(C)C)cc1 2761066 CKAHOYFSAUULCX-UHFFFAOYSA-N 470.503 5.158 5 40 JKBB CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc1c(N[C@H](C)CCCN(CC)CC)ccnc12 4428707 AIVNBTKNMKJHQV-PSWAGMNNSA-N 492.756 6.628 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 6906612 KSLAHOAAPRKTSG-UHFFFAOYSA-N 452.517 5.006 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 8902759 KXIRRJHNRUSNAJ-XBXARRHUSA-N 468.878 5.355 5 40 JKBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 12495098 FCZUKFAWZUSUFM-UHFFFAOYSA-N 493.873 5.614 5 40 JKBB COc1cc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 12739141 NFWNYFCBIMDLCP-UHFFFAOYSA-N 479.876 6.265 5 40 JKBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1oc2ccccc2c1CSC1CCCCC1 13134454 HSEYDOVQQNGISE-UHFFFAOYSA-N 478.530 6.209 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(Br)c3)o2)c([N+](=O)[O-])c1 20611615 RCEXNXJEERJALU-UHFFFAOYSA-N 486.322 5.015 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 408564863 APCWFLLEEYIMDQ-XMMPIXPASA-N 476.558 5.273 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409156071 KHONKBNERXPRAS-UUYOSTAYSA-N 491.525 5.455 5 40 JKBB O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 4427551 PJQBWNIHJHAUTE-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2Cl)c1 6143771 YPFNOTCVHRJHJT-UHFFFAOYSA-N 480.709 5.960 5 40 JKBB CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(Cl)cc1Cl 9284392 PIMLRXCUDSPCGD-UHFFFAOYSA-N 477.333 5.522 5 40 JKBB CCc1ccc(C(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 12624708 DJWIXAGWHPKGMR-GGAORHGYSA-N 471.542 5.058 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(COc3ccc4cc(Br)ccc4c3)nc12 13643544 KOIISWFDSBAIQO-UHFFFAOYSA-N 490.386 5.999 5 40 JKBB O=C(Nc1ccccc1C(=O)NCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 16193096 KKDXWKLNNDREOL-LGUFXXKBSA-N 477.520 5.704 5 40 JKBB O=Cc1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 35657390 XQUVWXUTHBLLCO-UHFFFAOYSA-N 469.007 5.743 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 100251731 PXKSZLNWUBATKZ-SZUBIPLGSA-N 462.505 5.327 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223365140 DWSZQXMDQHVEHF-GOTSBHOMSA-N 476.514 5.024 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224221860 NQVXXWBENKKDME-RPWUZVMVSA-N 456.527 5.735 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc2ccccc2c1 408577016 YJBDAZUSXULOKH-SANMLTNESA-N 466.537 6.707 5 40 JKBB O=C(Nc1ccc(I)cc1)c1ccc2sc3nc4ccccc4nc3c2c1 408977162 VQRYGQJWYNWHCL-UHFFFAOYSA-N 481.318 5.855 5 40 JKBB Cc1cc(C)cc(-n2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(Cl)c2)c1 2231629 QXSSMGPGFMWOIN-UHFFFAOYSA-N 465.944 5.851 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cc(Br)c(Br)s3)nc12 2740936 BKNAPFQMUPACMI-UHFFFAOYSA-N 495.225 5.758 5 40 JKBB Cc1cccc(Oc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc([N+](=O)[O-])c2)c1 3143188 DQGUFLXWVZVQML-UHFFFAOYSA-N 490.519 6.801 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 3206112 PUQQECOCLMMKOS-UHFFFAOYSA-N 499.854 5.320 5 40 JKBB COc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)ccc1OCc1ccccc1F 8436863 NEDRLAMCJGMCOM-UHFFFAOYSA-N 453.469 6.480 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCCC1 9117755 BGKFAYDWQQXPHG-UHFFFAOYSA-N 465.475 5.412 5 40 JKBB Cc1cc(CSc2ncccc2C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)no1 12903337 BVWYFUFOBURFTN-UHFFFAOYSA-N 458.495 5.287 5 40 JKBB CCOc1ccc([N+](=O)[O-])cc1C1N(Cc2ccc(OC)cc2)CCCN1Cc1ccc(OC)cc1 19326425 PAOVYVQCDIVWGZ-UHFFFAOYSA-N 491.588 5.417 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc2c(Cl)c(Cl)ccc2s1 57313372 VTWGFEWSYSOMPG-UXBLZVDNSA-N 460.298 6.423 5 40 JKBB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N12 261829855 UZEAWJJXHFUBFP-MIQGZIFGSA-N 469.932 5.669 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccccc1 408573102 SLVJZYGJSOTUND-HSZRJFAPSA-N 464.522 5.404 5 40 JKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409081682 QCKFTYPXQLYGIO-STZFKDTASA-N 485.993 5.560 5 40 JKBB CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OCC)c2)C1=O 409353126 HDHJAFFTPPPKEQ-YBFXNURJSA-N 496.463 6.251 5 40 JKBB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 684317 QFOZOBFNFWFFNB-QHCPKHFHSA-N 489.513 5.263 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@H]([C@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 1578749 ONCGYVZSXREYSS-ZEQRLZLVSA-N 455.986 5.513 5 40 JKBB C[C@@H]1CCCC[C@H]1n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1cccnc1 2618154 OFJUSEIUPROROF-FOIQADDNSA-N 467.551 5.158 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900099 XULLPJWNBNOFQS-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB Cc1ccc(-c2nn3c4ccc(NC(=O)c5ccc([N+](=O)[O-])cc5)cc4nc3c3ccccc23)cc1 9007920 KPSZVHICVGGJMV-UHFFFAOYSA-N 473.492 6.172 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nc2cc([N+](=O)[O-])ccc21 12311611 ROSADHYVLNSPSG-UHFFFAOYSA-N 468.922 5.327 5 40 JKBB CCOc1ccc(OCc2cccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)c2)cc1 13643682 LTBPFLBBDHBDDR-UHFFFAOYSA-N 481.581 6.149 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224443016 JJUVPWRYAYPPTO-PKTZIBPZSA-N 459.506 5.097 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1 224451755 RACSCUPHXNYNFJ-PKTZIBPZSA-N 460.490 5.566 5 40 JKBB O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc12 408757868 QZKMUYDIRPVFDO-UHFFFAOYSA-N 493.906 7.099 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409176808 YKIXTXDETUUKQB-UHFFFAOYSA-N 468.893 5.811 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 877988 AYELJFYAUUVYRF-UHFFFAOYSA-N 468.897 5.728 5 40 JKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2090784 LRLLAMDAMMXTTA-UHFFFAOYSA-N 482.721 6.478 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 2258194 JQRMIJBJTZWQOY-UHFFFAOYSA-N 465.944 5.548 5 40 JKBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 2409545 QIFKTGWLSGYRIT-UHFFFAOYSA-N 468.344 5.017 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769566 UZPZYCIPHMNTLG-LPYMAVHISA-N 464.474 5.549 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccc(Cl)cc2)cc1 6280048 RAGXGFJOEVYMJN-UHFFFAOYSA-N 493.976 5.844 5 40 JKBB O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cc([N+](=O)[O-])ccc1Cl 8722428 WCFPFUIOGFHTJP-UHFFFAOYSA-N 462.676 6.616 5 40 JKBB CCCC(=O)Oc1cn([C@@H](C)CCc2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 9243668 KALVWYLXAMXSTG-FQEVSTJZSA-N 468.601 6.689 5 40 JKBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 9984129 PXDDIGLQGXLGMJ-UHFFFAOYSA-N 459.959 5.072 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22715409 CNVFOXUXCLMVNM-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 103637877 SEDQIRAJQPUFNF-HNNVXOBOSA-N 453.542 6.452 5 40 JKBB CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565150 IBVSSWMHGPOJOX-DPQOWFAMSA-N 498.366 5.094 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1 408569843 JYFWXQHVYZOBEV-JOCHJYFZSA-N 495.373 6.317 5 40 JKBB O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 408605915 HIEFPGCXAHDDQR-UHFFFAOYSA-N 463.331 6.702 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)S2)cc1 408773825 JFYJQGUXGGSRDD-SUAMDDGLSA-N 484.581 5.760 5 40 JKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 5945000 XIDFETJJECSENZ-UHFFFAOYSA-N 470.529 6.379 5 40 JKBB CCOc1ccc(-c2cnc3c4ccc(OC)c(OC)c4c(=O)n4c5ccccc5c2c34)cc1OC 8792147 YXQMUXUMTJPUPO-UHFFFAOYSA-N 480.520 5.683 5 40 JKBB biogenic CCCCC(=O)Oc1cn(-c2ccc(OC)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9243413 HTDJRUGRXAKTHA-UHFFFAOYSA-N 470.573 6.273 5 40 JKBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 12564456 JIDAWNNTCFCXDX-JOCHJYFZSA-N 478.892 5.307 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(F)cc6F)o5)nc34)c12 13644039 LNXSAOVNQQNAHR-UHFFFAOYSA-N 499.449 6.250 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 22706250 BDYMTMMMCIJPAK-UXBLZVDNSA-N 470.337 6.830 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 59474819 SGEMKOPKEQPINM-UHFFFAOYSA-N 464.528 5.188 5 40 JKBB COC(=O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 79189695 XVPIQIMKXHCUCB-UHFFFAOYSA-N 471.513 5.679 5 40 JKBB biogenic COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409129455 GDZQPSCJMZBFRD-LICLKQGHSA-N 483.329 5.163 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] 817531 YEWRBIJJLAKCAR-UHFFFAOYSA-N 461.518 5.796 5 40 JKBB O=C1[C@H](Cc2c[nH]c3ccccc23)N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N12 2964269 JBYJXMCRALILBD-QHCPKHFHSA-N 481.537 5.211 5 40 JKBB O=[N+]([O-])/C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1 8856953 CJJPRVWGHPDPBJ-HNENSFHCSA-N 467.521 6.671 5 40 JKBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 8993268 WGZKPUFOLZSVNO-UHFFFAOYSA-N 462.893 5.902 5 40 JKBB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 9493955 LSQMIVIBZRNWCS-UHFFFAOYSA-N 482.993 5.404 5 40 JKBB Cc1c(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)cccc1[N+](=O)[O-] 11667554 RSTCDIROOZOPGL-UHFFFAOYSA-N 465.354 5.062 5 40 JKBB C/C(=C/C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)C(=O)O 13579247 CULOKHKCEUPFHZ-VJVQGEDVSA-N 491.525 5.036 5 40 JKBB O=C1/C(=C/c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl 20470340 AKMPZALAOLBPLF-YJXRAILPSA-N 485.283 5.486 5 40 JKBB CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 57316992 DTNXKVYUBSLSBF-ACCUITESSA-N 486.513 5.235 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223997936 DZWXDGJSYPPNNT-JWQCQUIFSA-N 499.552 5.385 5 40 JKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224879142 CXMAZBSWPQSHGL-MRXNPFEDSA-N 492.403 5.310 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1 408577271 YWXNYXWNXIQNGR-VWLOTQADSA-N 490.585 5.582 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 408634778 UKZMNHJVVPEOHP-ODLFYWEKSA-N 499.888 5.785 5 40 JKBB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1C 408641200 LBUWGZXPNSQEQE-IBGZPJMESA-N 459.502 5.304 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)c(Cl)c1 408727455 YSXONFMIYLPWAH-NSIKDUERSA-N 474.119 5.905 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)ccc4C)cnc32)cc1 2229353 IXLWLTKMHMLCJP-UHFFFAOYSA-N 461.525 5.288 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(C(Br)=Cc2ccccc2)cc1/C=C\c1ccccc1 2049243836 LYIOJFAVXFWPTG-HMBJANHQSA-N 451.276 6.566 5 40 JKBB CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1911514 UWNNUHGBKFHUOX-UHFFFAOYSA-N 490.379 5.796 5 40 JKBB O=C(OCc1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)c([N+](=O)[O-])c1 2243789 VNAJRHBUPUTQFE-UHFFFAOYSA-N 465.849 5.516 5 40 JKBB O=c1c2ccccc2c2nc3c(c(-c4cccc(Oc5ccccc5)c4)c12)c(=O)c1ccccc13 3179057 DICJODXAMGEVCB-UHFFFAOYSA-N 451.481 6.750 5 40 JKBB Cc1ccc(C2=NN(c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[C@@H](c3ccc(Cl)cc3)C2)cc1 12447657 KGYLYHHPGLYGPJ-XMMPIXPASA-N 474.973 7.036 5 40 JKBB Cc1cc(Nc2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3o2)c([N+](=O)[O-])cc1C 12532678 LOCZDNWVSAXDCO-UHFFFAOYSA-N 472.910 5.551 5 40 JKBB COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 14272996 XMMIAMQPIUMTRJ-WEVVVXLNSA-N 457.895 5.223 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 14274974 GYEKNUIYSVHLAG-ZZXKWVIFSA-N 496.759 6.341 5 40 JKBB Cc1ccc(N(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 15978169 HGLYFHGEPGUDKF-UHFFFAOYSA-N 487.021 6.558 5 40 JKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 21580668 YAFDHTFDNJMDIE-UHFFFAOYSA-N 454.442 5.659 5 40 JKBB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c12 34895624 WPUCZUXIPTZNKQ-UHFFFAOYSA-N 470.510 5.723 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 408554432 CSPBOKSTYWEILV-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c(C)c1 409374641 VPABSRCCQBFTBW-MFKUBSTISA-N 480.589 6.593 5 40 JKBB O=[N+]([O-])c1cc(/C=C/S(=O)(=O)NCc2ccc(F)cc2)ccc1Oc1ccccc1Cl 1402026 SIAOQVJNVMJKSE-VAWYXSNFSA-N 462.886 5.270 5 40 JKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 8899308 IKDVAFJWDFLYPY-UHFFFAOYSA-N 476.920 6.217 5 40 JKBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2scc(-c3cccs3)c2c1=O 13007188 LADCDUJMWUUGSH-UHFFFAOYSA-N 492.991 5.016 5 40 JKBB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 13137905 DFLKZKUWYPQBFT-MRXNPFEDSA-N 477.521 5.160 5 40 JKBB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C 14405630 VFPZTCMKAPWJEN-BUHFOSPRSA-N 461.522 5.112 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 15945201 SCHQUSPABOHNEB-SPLOXXLWSA-N 451.548 5.921 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 224418545 CRLFMSXUHQVQOU-XZOQPEGZSA-N 460.490 5.566 5 40 JKBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 224589207 XQYYIDLTBTXCAW-DNQXCXABSA-N 472.526 5.436 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(Cl)cc1 408565656 CRCNMKGRVCYASF-QHCPKHFHSA-N 480.977 5.918 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 408610577 QHAYHDLXPFWSTC-UHFFFAOYSA-N 457.324 5.865 5 40 JKBB Cc1cc(-c2ccc(/C=C(\Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)o2)cc([N+](=O)[O-])c1C 408633223 JCOSATSFWLYWDS-JAIQZWGSSA-N 496.932 6.128 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)c1 408940488 UTTFJOQGRNHKGQ-MTJSOVHGSA-N 477.498 5.147 5 40 JKBB CCOC(=O)c1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc2c1CC[C@H](C(C)(C)C)C2 409059237 VRMZOSHBBGMNAT-AWEZNQCLSA-N 480.608 5.093 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8831976 SQHOYTYRKLBBMB-UHFFFAOYSA-N 465.893 6.441 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1 8969882 LJGHXTRSZYJMNR-QGZVFWFLSA-N 472.240 5.054 5 40 JKBB COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 9391363 GZIMRVWKNIRHFQ-DEOSSOPVSA-N 476.529 5.047 5 40 JKBB O=C(COc1ccc(-c2ccccc2)cc1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9499505 RUVMRFOIYNBVHZ-UHFFFAOYSA-N 453.450 5.743 5 40 JKBB COc1cc(C(=O)NCc2ccccc2Cn2cccn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 10234799 OJQCYVFMWLGBTK-UHFFFAOYSA-N 492.919 5.224 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 13302029 OICFMWBDNMEDPC-AGHRXRTDSA-N 471.944 6.685 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 20151014 HOORISRRNKUIIF-IZZDOVSWSA-N 478.888 6.221 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1 22718354 FUYSGHUSWVAUAR-QGZVFWFLSA-N 481.508 7.429 5 40 JKBB CCOc1cc(/C=C2\SC(=S)N=C2O)cc([N+](=O)[O-])c1OCCCOc1ccc(Cl)cc1 26580613 IMNBSEVXEATPTG-PDGQHHTCSA-N 494.978 5.824 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 34931641 CNAQKBFKSXNGNB-ODLFYWEKSA-N 474.325 5.929 5 40 JKBB Oc1ccc2c(c1)oc1c(C3=Cc4ccccc4OC3)c3c(O)nn(C4CCCCC4)c3nc12 95476098 GANIPQWXOUVHNH-UHFFFAOYSA-N 453.498 6.180 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224616977 CDDBMLILDHTNSJ-GOTSBHOMSA-N 458.499 5.133 5 40 JKBB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 408811245 AHVJLDSWLKKPGL-NVNXTCNLSA-N 483.727 5.256 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 409013580 KVCNSJPAYAFHFC-UHFFFAOYSA-N 497.360 5.335 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409179046 JPUURRWCUMYRKY-UHFFFAOYSA-N 478.460 5.342 5 40 JKBB O=C(Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 712344 DBVSQPBAEQEVPV-UHFFFAOYSA-N 492.491 6.198 5 40 JKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 1858006 SVCUPQGADGKXKJ-UHFFFAOYSA-N 481.291 6.157 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2246969 DGERKPNLZVRXFI-UHFFFAOYSA-N 464.356 6.014 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 4122935 ZQAXREMOLHUZHQ-UHFFFAOYSA-N 478.940 5.389 5 40 JKBB Cc1c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cccc1-c1nc2ccccc2o1 8590697 AZYNXEGNEYGVFT-UHFFFAOYSA-N 463.902 6.832 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 12524807 KTRZNJPQGOVEDP-UHFFFAOYSA-N 455.518 5.627 5 40 JKBB O=C(c1oc2ccccc2c1CSCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12546986 LEWQCEDUOCJISY-UHFFFAOYSA-N 487.581 5.737 5 40 JKBB Cc1csc(Sc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2[N+](=O)[O-])n1 12998268 FIJKYRHIIXDWST-UHFFFAOYSA-N 468.329 5.665 5 40 JKBB Cc1cc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1Cc1ccc(F)cc1 14846588 KLVBXONXZIFLHG-UHFFFAOYSA-N 496.538 5.187 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCC2 20152349 ICMDVQNJUUAJDG-UHFFFAOYSA-N 482.776 6.098 5 40 JKBB CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 24761979 IUIDPQMXIXMGFF-UHFFFAOYSA-N 491.853 5.792 5 40 JKBB O=[N+]([O-])c1ccccc1/C=C/c1cc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] 68563154 VYMJPXODFITBKT-WGDLNXRISA-N 462.374 5.660 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 72229905 DFRVHDXFAURFPZ-IBGZPJMESA-N 473.337 6.450 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 225055328 KLQOVDLNVAPPGI-CLJLJLNGSA-N 499.596 5.725 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1c[nH]c2ccccc12 408574402 USSCFRUKSTZYQP-SFHVURJKSA-N 475.759 7.116 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1 408574406 USUUQKHGAAJMGQ-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 408752768 GTSFDIVUDZWNDA-AXLDUSBXSA-N 486.527 5.833 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2cccc(OC)c2o1 409359996 OPAUQTXYBFTBBA-UHFFFAOYSA-N 487.925 5.012 5 40 JKBB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2761236 SHGOETIECWCOJF-UHFFFAOYSA-N 453.713 5.669 5 40 JKBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccc(Cl)cc1)CC2 3006335 JJNZRAMFTQMXGG-JOCHJYFZSA-N 497.935 5.476 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC[C@@H](C(C)(C)C)C3 6142747 OCQHQCBXNJJLBJ-QGZVFWFLSA-N 492.597 6.754 5 40 JKBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(C)nc32)cc1 8836798 WLMISEYYUBWHCB-QGZVFWFLSA-N 483.572 5.520 5 40 JKBB CSc1c(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n(Cc2ccccc2)c2ccccc12 8855050 SPIQIZBUUITZCF-UHFFFAOYSA-N 465.962 6.154 5 40 JKBB O=C(Oc1cccc2c(OC(=O)c3ccc([N+](=O)[O-])cc3)cccc12)c1ccc([N+](=O)[O-])cc1 13452444 JNTCGGDXPYIDDQ-UHFFFAOYSA-N 458.382 5.095 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 22708185 TYAUDVRBEFMZAF-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB c1cc2ccc3ccc4c5ccc6c7cccc8ccc9ccc%10c%11ccc%12c(c1)c2c3c4c%12c%11c5c6c%10c9c87 95869732 FGCAICAGHWDMNZ-UHFFFAOYSA-N 498.584 11.561 5 40 JKBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2c3ccccc3cc3ccccc23)C(=O)N1c1ccc(F)cc1 102753800 CFQJURVDZRPFOM-YTCPBCGMSA-N 488.518 6.183 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1 106689645 BOLNUSDSABLYGA-CFRMEGHHSA-N 487.512 5.973 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 215274895 ZKRZZDKSZPBZOZ-KEBDBYFISA-N 472.881 6.192 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(Br)cc2)cc1)c1c[nH]c2ccccc12 408566202 FBLFDXZMITVIAP-JOCHJYFZSA-N 451.320 5.918 5 40 JKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 408602095 AIRKMMXRGSQFDE-FNORWQNLSA-N 492.315 5.785 5 40 JKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408995307 LYCMUJXLNSTRDX-PIZZNKLWSA-N 492.531 6.343 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCc1ccccc1 409007414 PYRZEZCZGPUCJN-KQWNVCNZSA-N 460.511 5.453 5 40 JKBB CCCCCN(CCCCC)C[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1592059 QTRCDPWLGDAAQS-SANMLTNESA-N 456.468 7.471 5 40 JKBB O=C(COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1842669 GICUCNXZSCQKSN-UHFFFAOYSA-N 498.447 6.002 5 40 JKBB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OCc1ccc([N+](=O)[O-])cc1 2200643 RJXMEJVAJOANDY-UHFFFAOYSA-N 473.481 5.589 5 40 JKBB biogenic Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)c3ccc(Br)o3)c12 2432977 GYLSYXWRAUQGBY-UHFFFAOYSA-N 450.292 5.259 5 40 JKBB COc1ccc(-c2c(C)c3cc4c(C)c(-c5ccc(OC)cc5)c(=O)oc4cc3oc2=O)cc1 2576898 HVHLRIKXHIOVEA-UHFFFAOYSA-N 454.478 5.867 5 40 JKBB COC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c3c(sc12)C[C@H](c1ccccc1)CC3 9013855 ZRMIUJNQZMBLKQ-OAHLLOKOSA-N 480.549 5.410 5 40 JKBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 222716318 GIUAJPMCSYTDJS-KHIBUBOWSA-N 450.520 5.238 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 408572666 RRCRVTNACLVSJQ-XMMPIXPASA-N 494.548 5.413 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 408583856 XVTHIOPUYZUGQQ-UHFFFAOYSA-N 498.870 5.463 5 40 JKBB CC(C)(C)c1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 409177107 ARKZFJRSYZUURB-SANMLTNESA-N 473.569 6.971 5 40 JKBB CC(C)(C)c1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(C(C)(C)C)c1 409177997 KDUNTFHZAHBBPV-UHFFFAOYSA-N 461.558 7.339 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1 2256851 HBBAXUOOXXWLQC-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 3671492 LZNGEGDDSQNNCK-UHFFFAOYSA-N 485.974 6.411 5 40 JKBB CCCC(=O)Oc1cn(Cc2ccc(OC)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9124282 RKCJSFCJDDSDEK-UHFFFAOYSA-N 456.546 5.552 5 40 JKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(c1ccccc1)c1ccc2ccccc2c1 13382188 MQFQRQZKRPZHPM-UHFFFAOYSA-N 482.521 6.255 5 40 JKBB CC(C)n1ncc2c(-c3ccc(-c4ccc(C(=O)O)cc4)o3)c3oc4cc(O)ccc4c3nc21 96115335 OADRZNDCZGXQQZ-UHFFFAOYSA-N 453.454 6.242 5 40 JKBB biogenic Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 224278747 AYNZWEIUJWPMOS-JWQCQUIFSA-N 469.570 5.574 5 40 JKBB O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccc(Cl)cc1 408609167 OKUADQKLMNUPFK-UHFFFAOYSA-N 490.741 5.640 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916581 FKSIPRTZCRVBLG-GRSHGNNSSA-N 475.309 6.398 5 40 JKBB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 409335003 JNCYWPUAQONMPT-KBPBESRZSA-N 487.990 5.830 5 40 JKBB Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 2313187 BTAZZLVZTUTYJI-UHFFFAOYSA-N 454.482 5.775 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nnc(-c2cccc(Br)c2)o1 3666894 OJMIJNJOZQHGNX-UHFFFAOYSA-N 491.201 5.486 5 40 JKBB O=C1S/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9233161 HYZLVUUKQFMRBK-REZTVBANSA-N 458.293 5.075 5 40 JKBB COc1ccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 10522470 PIZSNJYBDAFBAW-UHFFFAOYSA-N 474.498 5.232 5 40 JKBB Cc1ccc(Sc2ccc(/C=C/c3ccc4c(Cl)cc(Cl)c(O)c4n3)cc2[N+](=O)[O-])cc1 15978516 ZWTAMBPCLWVUAF-GQCTYLIASA-N 483.376 7.785 5 40 JKBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Br)cc1 95470821 LMZKRYKREDZFJV-UHFFFAOYSA-N 476.080 5.074 5 40 JKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225005694 QDFIVJCVGHPFRJ-XMMPIXPASA-N 483.634 5.084 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408566564 FPNAKMFMOBKKLA-XUCOSSOOSA-N 498.366 5.141 5 40 JKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(Br)o1 408839324 QQQVSZRUIDBKFD-UXBLZVDNSA-N 453.657 5.163 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409022543 RMWBIUORNBTWND-UHFFFAOYSA-N 490.475 6.638 5 40 JKBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 863698 GWMODMFRACIKFU-UHFFFAOYSA-N 488.573 5.135 5 40 JKBB CCOC(=O)c1ccc(N[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1 3672365 MSZFQGBEVMMFHI-JOCHJYFZSA-N 497.345 5.960 5 40 JKBB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 5945008 YETXMPAADYKQGD-UHFFFAOYSA-N 470.529 6.379 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 12524432 HXLDLGPOKADBKW-VDNDLQMASA-N 466.793 5.890 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)NCc3ccccc3)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500049 CMVXYSWYIWEMRE-UHFFFAOYSA-N 472.549 5.361 5 40 JKBB Cc1[nH]c2ccccc2c1C(c1cc([N+](=O)[O-])cc(Br)c1O)c1c(C)[nH]c2ccccc12 15016192 DZWGWRPFRUAQJK-UHFFFAOYSA-N 490.357 6.823 5 40 JKBB O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(C/C=C/c2ccccc2)CC1 20759059 ISKOQFXSECZSKS-DHZHZOJOSA-N 498.586 5.063 5 40 JKBB biogenic Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 36316844 LTUBORRLMJGHQI-GFXAMXPBSA-N 499.592 5.030 5 40 JKBB CCOC(=O)c1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1Cl 216292053 GJKLYMYEKDYSDM-XSFVSMFZSA-N 450.878 5.604 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224879149 ILDRYYWQAOJYQP-GOTSBHOMSA-N 491.960 5.317 5 40 JKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 408797129 GFXONOWRAUXMCL-UHFFFAOYSA-N 480.953 5.899 5 40 JKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 408818225 UVURKWCVCCKXPY-UHFFFAOYSA-N 450.496 5.243 5 40 JKBB COc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 409353486 LVSZATOBALRFGL-ODLFYWEKSA-N 456.863 5.758 5 40 JKBB O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1 1848264 FDYFLDMYTXFGRZ-XMMPIXPASA-N 470.437 5.221 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(Cl)c1OCC 2059474 WCHHNVINBSWEQQ-PXNMLYILSA-N 451.262 5.044 5 40 JKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2307570 XGIJWWMGTJACEA-UHFFFAOYSA-N 459.981 6.080 5 40 JKBB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)C=Cc2ccccc21 3290142 CECWYTLINZQJRY-RUZDIDTESA-N 467.916 6.409 5 40 JKBB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 8871939 BSVHPVHWLGVEDR-UHFFFAOYSA-N 466.899 5.061 5 40 JKBB Cc1ccc(-n2c(C)c3c(c2C)[P@@](=O)(Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)N=C3)cc1 12564814 XNRRYRMTRKLAGG-PGUFJCEWSA-N 485.484 6.095 5 40 JKBB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC)cc1 13871603 QPIJPSIKJDHFPI-CQSZACIVSA-N 489.985 5.293 5 40 JKBB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 25397424 ASNFGNMFXZZCLG-QFIPXVFZSA-N 485.521 5.344 5 40 JKBB O=C(CSc1nnc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1 33462876 HJAHBVJTYPSCAT-UHFFFAOYSA-N 465.466 5.258 5 40 JKBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br 72228859 JPRBOCIJQDRRSJ-UHFFFAOYSA-N 472.133 5.063 5 40 JKBB COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 408553825 PTCUAUPRADCGFG-UHFFFAOYSA-N 469.877 5.184 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408758108 VMMNQAKBJZQAFL-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409180965 ZTXNHULVTZBYBX-UHFFFAOYSA-N 486.436 6.445 5 40 JKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2298339 WVVLOOKYTVJTHF-UHFFFAOYSA-N 469.589 5.494 5 40 JKBB O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 4089737 PEVINQITIRQTIH-UHFFFAOYSA-N 488.312 5.232 5 40 JKBB COc1ccc([C@@H]2CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc1OC 9414536 HSBFANWECRKQDF-QHCPKHFHSA-N 450.516 5.382 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 13388572 YCIBMGLTSDUOMR-UHFFFAOYSA-N 487.921 5.218 5 40 JKBB O=c1sc2ccccc2c(O)c1C(c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2sc1=O 15947235 AKIFOKNYWBTWBN-UHFFFAOYSA-N 489.530 5.336 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccccc3Cl)ccc3ccccc23)c(Cl)c1 16525920 OJAOCZIITDCGOA-UHFFFAOYSA-N 496.394 6.836 5 40 JKBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 107994355 OBGZRDAOBRSWEV-UHFFFAOYSA-N 489.985 5.118 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214900822 XBZAYGYOCQTTRL-LPYMAVHISA-N 491.481 5.319 5 40 JKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225698428 RXNIGIUVPMQHHA-MGPUTAFESA-N 480.392 5.166 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-] 408669575 WWMJHBRWMYKLGT-WSCWJOSJSA-N 496.560 5.316 5 40 JKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 409182978 QBJBTBFCEUEYGD-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 3226025 RRACMYWKEGUMDA-UHFFFAOYSA-N 494.356 5.369 5 40 JKBB COc1cc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 8717301 YWYSZPWRARUTFR-DHZHZOJOSA-N 487.339 6.450 5 40 JKBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 8926522 SJKYWRSSZGUVSB-UHFFFAOYSA-N 487.921 5.218 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(C)cc1 8990021 LCMOHKGHOZHGMX-MTJSOVHGSA-N 492.915 5.879 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(F)c(Cl)c4)o3)nc12 13643664 JJMHDQLJDBFBAU-UHFFFAOYSA-N 479.924 6.136 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 22707878 IQQDYSJTCYYOOU-JXMROGBWSA-N 471.922 5.352 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc(C)c1 106722592 JEZQDUDBDYKFQT-OYKKKHCWSA-N 490.537 5.727 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc([N+](=O)[O-])c1C 215255730 GJMHEIBVWHARLF-SRZZPIQSSA-N 479.470 5.616 5 40 JKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223775418 CEXZLTMSIDJENG-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 226363396 GTFOLIFIRBJZMY-UHFFFAOYSA-N 462.914 7.260 5 40 JKBB Cc1cccc(CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)c1 408749110 DNVDGIJQRZNKNN-UHFFFAOYSA-N 479.539 5.756 5 40 JKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 2420089 DUYATWHMWZUGQI-LBPRGKRZSA-N 485.897 6.235 5 40 JKBB CCCOP(=O)(OCCC)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3218974 ACEJUUAMVHQIAA-HXUWFJFHSA-N 454.847 5.723 5 40 JKBB CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1O 6631897 MDCURFQRCYUXBP-QFIPXVFZSA-N 456.583 6.472 5 40 JKBB O=[N+]([O-])c1ccc(N(C2=CN(Cc3ccccc3)N=C(c3ccccc3)C=N2)c2ccccc2)cc1 8430907 AWBDOGXDPYRNGU-UHFFFAOYSA-N 473.536 6.523 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccs4)C[C@@H](C)C[C@H]3[C@@H]2c2cccs2)n1 8455489 ZIIBGJLLXHGQHL-CLVZIYIASA-N 481.603 5.617 5 40 JKBB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 12442169 TWHFUISLKCBDKP-UHFFFAOYSA-N 463.519 5.172 5 40 JKBB COc1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2CCCN1C(=O)c2ccccc2C1=O 13281539 MBJLHMGZGKXJAD-UHFFFAOYSA-N 463.537 5.654 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C(=O)N1c1ccccc1 13750784 YAGSEIQCOXLKEW-SDHOMARFSA-N 497.532 5.374 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCc1ccccc1)Cc1cccs1 22239297 SVNGFSWNXOSKPA-UHFFFAOYSA-N 452.579 5.488 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214990337 UNHKXMMKHLQTTB-LPYMAVHISA-N 480.929 6.064 5 40 JKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225726205 LBGZDRSCKVKESQ-QRWLVFNGSA-N 480.392 5.166 5 40 JKBB COC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12 226767659 RTDBMHNZTITFPP-UHFFFAOYSA-N 469.247 5.047 5 40 JKBB Cc1ccc(N2C(=N)S/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1C 408977255 WFKLVQRXYURSHE-IBMPOVEYSA-N 453.907 6.181 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 409002185 YSVDSLWKYYCREJ-QUFBTCJSSA-N 482.967 7.298 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409178115 KQHHLWFMFDBQRB-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[N@]12 2049251943 UZEAWJJXHFUBFP-DBLCZTQHSA-N 469.932 5.669 5 40 JKBB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2621314 SXSKLUQFHGPQPD-CQSZACIVSA-N 483.937 5.267 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 6143779 SYPACAIKVICVIZ-UHFFFAOYSA-N 481.255 5.759 5 40 JKBB Cc1cc(C)cc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(Cl)cc(Cl)c2)c1 9375576 UGCTXJKXVGOGQT-UHFFFAOYSA-N 486.362 6.196 5 40 JKBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 9462369 ZOGPDIBSGDMMMG-UHFFFAOYSA-N 497.942 5.003 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(C(C)(C)C)cc4)o3)nc12 13643713 IWLQNSKADWUTMW-UHFFFAOYSA-N 483.597 6.641 5 40 JKBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1cc(Cl)ccc1Oc1ccccc1 32957514 QJPFPUMTBREIFB-UHFFFAOYSA-N 470.912 6.145 5 40 JKBB O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 100654770 WKBKISLXSSKLSQ-UHFFFAOYSA-N 466.449 5.855 5 40 JKBB O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 108213521 PACGNHMRONHTFV-ONEGZZNKSA-N 481.955 6.345 5 40 JKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 408739374 ZUAHZOIOFJJBEY-JOCHJYFZSA-N 491.525 5.012 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 2257793 RJYDJZVKJAKELP-UHFFFAOYSA-N 464.356 6.014 5 40 JKBB COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1 9233143 XMYNVGJOQYQDIG-HYARGMPZSA-N 490.493 5.059 5 40 JKBB Cc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O 12324681 BFUJOLXPZSILRU-UHFFFAOYSA-N 472.501 5.660 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14278173 XJTQVCWCTRVNIE-FNORWQNLSA-N 486.336 6.937 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cccc1[N+](=O)[O-] 16250149 RUWOGNFYWGREAP-UHFFFAOYSA-N 482.521 5.991 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)[C@H]1CCC 105799063 MXUQDSQHKAZUFL-ATIYNZHBSA-N 494.548 5.044 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1[N+](=O)[O-] 214398853 ISTVCDJZGFZYSM-KEBDBYFISA-N 489.336 6.707 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224378035 DLCMXWGCJHAYBT-CLJLJLNGSA-N 483.597 6.081 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)S2)cc1 408772609 DLHSVONLIHSSLY-JZRHZWBPSA-N 490.368 6.324 5 40 JKBB O=S1(=O)c2ccccc2N[C@@H](c2c3ccccc3cc3ccccc23)N1Cc1ccccc1 409145089 PFKCFGUNOHRMIZ-MUUNZHRXSA-N 450.563 6.308 5 40 JKBB CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1916428 LMXYHSUJJQBCLF-UHFFFAOYSA-N 490.379 5.796 5 40 JKBB CCN(CC)C(=S)S[C@@H](c1ccc2ccccc2c1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1 3199866 ASWWNCLHAPUWEZ-JOCHJYFZSA-N 488.656 5.889 5 40 JKBB C[C@@H](Sc1nnc(C2CCCCC2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177391 UCAVKFJTLNAAKP-OAHLLOKOSA-N 485.997 5.996 5 40 JKBB O=C(C[C@@H](Sc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 9057018 OPUGXGCLCMVBJX-HSZRJFAPSA-N 493.382 7.012 5 40 JKBB CCCC(=O)Oc1ccc(-n2cc(OC(=O)CCC)c3c2nc(CCC)n2c4ccccc4nc32)cc1 9242783 ULCPITMJPMIONC-UHFFFAOYSA-N 498.583 6.190 5 40 JKBB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1 9439818 OKAMPIDVDKZTNB-VWLOTQADSA-N 477.516 5.031 5 40 JKBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1 59179594 GEFJOTLBXFYGKJ-UHFFFAOYSA-N 456.524 5.028 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106722582 FYSYNRBDZWZAEV-OYKKKHCWSA-N 469.522 5.834 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 408571038 MZGAXQUSWZUOML-QFIPXVFZSA-N 450.922 6.208 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 408612161 URZPFPCSDXSNSJ-UHFFFAOYSA-N 455.898 5.277 5 40 JKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408739375 ZUAHZOIOFJJBEY-QFIPXVFZSA-N 491.525 5.012 5 40 JKBB O=C1N/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1C1CCCCC1 409076957 CQAUDFHGJWCAPI-MOSHPQCFSA-N 455.898 5.053 5 40 JKBB O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 409176129 HYRQHJQQINSRFT-SANMLTNESA-N 480.476 5.628 5 40 JKBB COc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 1066572 MPIVJSWNYSPWGW-UHFFFAOYSA-N 462.380 5.675 5 40 JKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 2407366 YOXGEYCNMNYOBD-LBPRGKRZSA-N 462.897 5.125 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CCCC1 3260236 DCSGKHKCLCHTQI-CQSZACIVSA-N 485.541 5.235 5 40 JKBB Cc1cccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nnc2-c2c[nH]c3ccccc23)c1 3329232 MMMJICPOVMJTKW-UHFFFAOYSA-N 499.552 5.791 5 40 JKBB c1ccc(Oc2ccc(-c3cc(-c4ccc5ccccc5n4)nc4ccc5ccccc5c34)cc2)cc1 8926412 JZXSTRCMSWXDIH-UHFFFAOYSA-N 474.563 9.063 5 40 JKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)nc2c1 14275191 SNSPZIVTVJYBBR-UHFFFAOYSA-N 476.514 5.106 5 40 JKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1-c1ccc(CO)o1 20151057 FYDMEJBVUBATHN-KPKJPENVSA-N 474.469 5.576 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1[N+](=O)[O-] 22320856 FJSPVTYMIMJWFV-UHFFFAOYSA-N 475.423 6.009 5 40 JKBB O=C(Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1)c1ccccc1 33794138 LERUDZKSMLZLHE-UHFFFAOYSA-N 486.509 5.234 5 40 JKBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 169706875 HNYADDICHTXWIO-NTZWLTRZSA-N 480.611 5.884 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 408570675 LVCYSORLECJMGS-XMMPIXPASA-N 476.558 5.273 5 40 JKBB COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccccc2)cc1 408722386 IBAADQHGCYPNEL-UHFFFAOYSA-N 476.470 5.554 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408828310 DMNCMEWICJWXTO-UHFFFAOYSA-N 498.391 7.561 5 40 JKBB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1 2188105 WIZPILKXRNDVFI-HZHRSRAPSA-N 470.481 5.456 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 3669349 SAJAXUXFGTVNAE-KPKJPENVSA-N 477.567 6.157 5 40 JKBB Brc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 8427028 JHTNDNQEAAJZCJ-SGEDCAFJSA-N 466.338 7.124 5 40 JKBB CCn1c(C[S@@](=O)Cc2ccc(Cl)cc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 8855288 FJYGJQQUVASPQQ-SSEXGKCCSA-N 485.418 5.254 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 9062366 KXIDDRAGKIDQOW-UHFFFAOYSA-N 498.282 5.456 5 40 JKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccc([N+](=O)[O-])c1 9892790 UGJCYHBGBPPUBD-UHFFFAOYSA-N 452.879 5.183 5 40 JKBB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)n2)c(C)c1 12529081 GVMCNMRWMMWYRJ-UHFFFAOYSA-N 450.564 5.886 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492253 JMHTVUYBPXHGIW-UHFFFAOYSA-N 463.427 5.674 5 40 JKBB CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C(=O)OCC(C)C)=C(C)N1 26964395 JBWXOVZBEFKJBD-UHFFFAOYSA-N 496.560 5.488 5 40 JKBB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccc([N+](=O)[O-])cc1Cl 89866492 AQQJELQWDNEJTE-UHFFFAOYSA-N 452.923 5.984 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224313276 MCBNOXOFFGSRNE-JWQCQUIFSA-N 469.570 5.574 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408557051 LWOFPZDYWVVCQP-UHFFFAOYSA-N 455.898 5.195 5 40 JKBB CCOc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408975209 KJXGEFOSJMFKJI-UHFFFAOYSA-N 476.565 6.087 5 40 JKBB COc1ccccc1N1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409075210 XKMIKRXTLVWEKM-OYKKKHCWSA-N 485.521 5.847 5 40 JKBB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409122114 ZGLBRSMVYKGXAE-UHFFFAOYSA-N 470.525 6.977 5 40 JKBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](C)Oc1ccccc1Cl 409172014 AUYNSZMYVJZKKV-CQSZACIVSA-N 475.958 5.039 5 40 JKBB CCCSc1nc(SCc2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 1863399 MYGKZDGJNFPSMD-QFIPXVFZSA-N 475.661 6.635 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc(Nc3ccc(I)cc3)c3ccccc3n2)cc1 9088293 BTIYNEOXFGOBTA-UHFFFAOYSA-N 468.254 5.553 5 40 JKBB CN1CCN(c2ccc(C(=O)c3c(-c4ccc(Cl)cc4)cc4ccccn34)cc2[N+](=O)[O-])CC1 12633151 AUTZQIYKLDSODE-UHFFFAOYSA-N 474.948 5.151 5 40 JKBB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC 12657801 KIPIZEKGYMXBMO-HMMYKYKNSA-N 496.519 6.004 5 40 JKBB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14276016 GAKBCEFJSYNNGL-UHFFFAOYSA-N 497.802 5.128 5 40 JKBB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 17297434 SJYCBOLZWRKDAK-UHFFFAOYSA-N 478.888 5.896 5 40 JKBB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 20970175 LLSKGFAELHALDN-DEOSSOPVSA-N 487.947 6.088 5 40 JKBB O=C1S/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 33362749 PKAYMRIUJYDICY-UUYOSTAYSA-N 498.919 6.203 5 40 JKBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59294429 PHVJZUXUKACDNS-UHFFFAOYSA-N 490.497 5.135 5 40 JKBB O=c1[nH]c2ccccc2cc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCC1 79473609 ZVIIAEFWBRHHNO-UHFFFAOYSA-N 480.524 5.733 5 40 JKBB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 106749113 KCWXDBKDMKMTCH-ZDLGFXPLSA-N 492.962 5.387 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1 224218825 BLKGSFTYAPIOCW-LOSJGSFVSA-N 486.553 5.744 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 408528790 HCLTVDXWIKGZHF-UCQKPKSFSA-N 490.562 5.974 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)c1 408577780 ZWHUSYKSUHJKQT-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)C[C@H]1C 6471771 NCHNEVSGMLXTGB-ZBLYBZFDSA-N 485.584 6.688 5 40 JKBB c1ccc(-c2cc(-c3cc(-c4ccccc4)c4c(ccc5ccccc54)n3)nc3ccccc23)cc1 9309422 LHUXEMJYXRBTPD-UHFFFAOYSA-N 458.564 8.937 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1OC 20411977 KCWSDRKCHBXPHY-UHFFFAOYSA-N 453.838 5.326 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccncc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1 75629591 BRLUMRGDIVZAAI-UHFFFAOYSA-N 482.543 6.847 5 40 JKBB in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 245227247 HXLDLGPOKADBKW-BASLNEPJSA-N 466.793 5.890 5 40 JKBB CC(C)(C)c1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(C(C)(C)C)c1O 408532420 OJEPKQWFLKJUKY-BKUYFWCQSA-N 496.585 5.815 5 40 JKBB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409119230 RYAGTCATFPOWMH-UHFFFAOYSA-N 457.324 5.865 5 40 JKBB O=C1NC(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1[nH]c3ccc(Br)cc3c21 839175 DDKVYBNYFAHHSK-UHFFFAOYSA-N 483.119 5.364 5 40 JKBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1 2246447 BJSCWAWYGOIOMK-UHFFFAOYSA-N 495.970 5.361 5 40 JKBB O=C(/C=C/C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 4783625 PYPRWCNLQXPLSW-OWOJBTEDSA-N 496.042 5.184 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(F)c(Br)c2)nc1-c1ccccc1 9015287 YWJSFAGBYLVSGA-UHFFFAOYSA-N 452.283 6.529 5 40 JKBB Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 9316886 WVZOLWWHLXNBKL-UHFFFAOYSA-N 469.284 5.220 5 40 JKBB Cc1cc2nc(-c3ccc(CNC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)oc2cc1C 10120378 QSVYSSOZLPDJMY-UHFFFAOYSA-N 491.956 6.818 5 40 JKBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12600082 OOYAQZXLNSFEJO-VXGBXAGGSA-N 456.757 6.290 5 40 JKBB CCOc1ccc(-c2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2C)cc1 13112781 HSCCAPMHACISDY-UHFFFAOYSA-N 452.536 5.278 5 40 JKBB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 24771668 LIEUSZGAMFPWDU-AUUYWEPGSA-N 467.909 5.489 5 40 JKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 33571692 XGIUALYYLZLZDC-GFCCVEGCSA-N 480.377 5.296 5 40 JKBB Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)cc1I 57316040 MNKSMCPSORANNN-UHFFFAOYSA-N 493.345 5.305 5 40 JKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 408799602 HDGXXMZCHMUZKG-UHFFFAOYSA-N 470.914 5.588 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408823554 GAQRYXISRFVJDL-UHFFFAOYSA-N 463.946 6.908 5 40 JKBB O=C(NCCSCc1c(Cl)cccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409028257 KLPPJTLDQHYJOV-HMMYKYKNSA-N 487.408 6.492 5 40 JKBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@H](C)CC)cc1 2421193 MSADJUNLPIKAOP-GOSISDBHSA-N 455.562 5.224 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8919630 MXNCFJFGMMLGBA-PEBXRYMYSA-N 465.575 6.886 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 8919983 ITULKGOXXIATSN-XIKOKIGWSA-N 478.412 6.389 5 40 JKBB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1 9508567 NXZFUKBXAOMPAB-IZZDOVSWSA-N 451.866 5.243 5 40 JKBB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12 10187694 GDOJCVHJQONIAM-UHFFFAOYSA-N 468.922 5.417 5 40 JKBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12653360 LKYIMDDKDKNHPT-ZIAGYGMSSA-N 465.333 5.424 5 40 JKBB COc1cc([C@@H]2CC(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc3S2)cc(OC)c1OC 16943642 PGUUIZOOXWWHFT-QHCPKHFHSA-N 480.542 5.391 5 40 JKBB CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)cc2)n1 20611436 RRPQOUDWQFGFEK-UHFFFAOYSA-N 479.518 5.089 5 40 JKBB C[N+](Cc1nn(-c2ccccc2)c2c1CCC2)(Cc1nn(-c2ccccc2)c2c1CCC2)CC1CC1 83996220 YRLNYSXMRSLJLK-UHFFFAOYSA-N 478.664 5.592 5 40 JKBB O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccc(Cl)cc1 408560300 YPBAILCMHUFSQW-UHFFFAOYSA-N 490.741 5.640 5 40 JKBB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 409200403 RXSKQIPOOGFWFE-LCUIJRPUSA-N 479.945 5.732 5 40 JKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc([N+](=O)[O-])cc2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409370786 DMDMRSIFCPBUGD-UHFFFAOYSA-N 481.512 5.583 5 40 JKBB CCCCCCc1cc2c(cc1OCc1ccc(Cl)cc1Cl)oc(=O)c1ccccc12 8871663 UZMLRNSOQYGMBJ-UHFFFAOYSA-N 455.381 7.955 5 40 JKBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 9138486 YZTABPGTFACYNM-UHFFFAOYSA-N 494.356 5.369 5 40 JKBB CCCCCC(=O)Oc1cn(CCOC)c2nc(CCCCC)n3c4ccccc4nc3c12 9243084 ALAQDOWWRZHSAR-UHFFFAOYSA-N 450.583 5.702 5 40 JKBB Cc1c(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)cccc1[N+](=O)[O-] 9404480 LHHCZMRTRRFIOC-UHFFFAOYSA-N 472.526 5.880 5 40 JKBB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl 9593631 YGJXEGZIZJHYJP-UHFFFAOYSA-N 489.960 5.882 5 40 JKBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)n1 9671849 VXCQNLQENZQGIC-UHFFFAOYSA-N 488.934 5.571 5 40 JKBB CC[C@H](C)c1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 12312027 ICIFRPJMLHQJTM-KRWDZBQOSA-N 490.585 6.187 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(Cn5c6c(c7ccccc75)CCCC6)nc34)c12 13644132 QJAPSPHXNMSHIC-UHFFFAOYSA-N 474.540 6.015 5 40 JKBB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 14152898 MFYSYWMVSDHRIK-UHFFFAOYSA-N 478.452 5.118 5 40 JKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 57315566 YTSFESFVNWJRLD-UHFFFAOYSA-N 493.932 5.766 5 40 JKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 106698426 IGDRBSZQLAFROZ-QRVIBDJDSA-N 494.500 5.558 5 40 JKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 214337436 YGNOBGKNFLJEQP-SRZZPIQSSA-N 495.444 5.671 5 40 JKBB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224879097 CXMAZBSWPQSHGL-INIZCTEOSA-N 492.403 5.310 5 40 JKBB CC1CC[N+](CCc2ccccc2)(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226068967 MENOZPWPGACXPZ-YCQMHXFUSA-N 466.730 6.630 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1 408553835 BKLUGVTYUNHPHV-UHFFFAOYSA-N 455.898 5.277 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1c[nH]c2ccccc12 408568091 HPSSHQMNVZGLAT-HXUWFJFHSA-N 496.317 5.826 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 408572342 QXRXPLYDZYUVPZ-OAQYLSRUSA-N 496.317 5.826 5 40 JKBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)cnc32)cc1 2423834 VQBKWGBHFRVHMD-KRWDZBQOSA-N 469.545 5.212 5 40 JKBB O=C(O)c1cccc(COc2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 2991551 CVYRCHADQLUNNA-XKZIYDEJSA-N 490.493 5.109 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)Nc1ccc([N+](=O)[O-])cc1 8424661 MXEBNNQLWSFYIP-UHFFFAOYSA-N 482.518 5.327 5 40 JKBB COc1ccc([C@@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1OC 8739025 QICAGNBWMHRRCN-RDPSFJRHSA-N 465.893 5.508 5 40 JKBB CCc1ccc([C@H]2CN3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8789809 WZWPSWFWXBLSCS-DFHRPNOPSA-N 480.524 5.468 5 40 JKBB biogenic COc1cc(-c2nc3oc4ccc(Cl)cc4c(=O)c3c3nc4ccccc4n23)cc(OC)c1OC 9002139 VBBPLRBPIQXTCW-UHFFFAOYSA-N 487.899 5.488 5 40 JKBB O=C(NCc1ccco1)c1ccc2c(c1)nc(SCc1ccncc1)n1c3ccccc3nc21 9434222 DUODTPNIFDNHOI-UHFFFAOYSA-N 465.538 5.246 5 40 JKBB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 9708973 RWXNCILFZKGTGV-UHFFFAOYSA-N 454.895 5.109 5 40 JKBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N[C@H]1CCCc2ccccc21 12546972 CYMIVUKHHQMEMO-DEOSSOPVSA-N 493.947 5.211 5 40 JKBB Cc1nnc2sc(-c3ccccc3NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)nn12 57316215 XAPSHPZCADGHKB-UHFFFAOYSA-N 470.923 5.190 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214810960 WZYPGVDMOBCKEM-VXLYETTFSA-N 475.309 6.398 5 40 JKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223818932 LGTYZHHCCAZMAZ-HXUWFJFHSA-N 480.392 5.168 5 40 JKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c(C)c1 408693840 FVCXWYROPHBSPV-UHFFFAOYSA-N 492.333 5.474 5 40 JKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1Sc1nc2ccccc2s1 408993888 XUGMKSYJYFPMSB-UHFFFAOYSA-N 492.607 6.612 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409360171 YRTSGRAYUHDDPL-QRVIBDJDSA-N 492.484 5.232 5 40 JKBB O=C(Nc1ccc(Cl)cc1Cl)N[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 2272084 FAYLIQXDEIYZNL-HNNXBMFYSA-N 499.565 6.035 5 40 JKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2417650 CSCLOVINJFYJIN-UHFFFAOYSA-N 462.351 5.092 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1c(Cl)c(Cl)nc(Cl)c1Cl 3098919 IRWFRSUKYAQONM-UHFFFAOYSA-N 483.038 6.682 5 40 JKBB O=C(c1ccccc1)c1c(O)n(-c2ccccc2)c2nc(-c3ccccc3)[n+]3c4ccccc4sc3c12 3223899 VLSNXWCQENHOFU-UHFFFAOYSA-O 498.587 6.583 5 40 JKBB Cc1ccc(C)c(-c2nnc(O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc23)c1 3347583 NRUHJLKMCJVCHT-MRXNPFEDSA-N 476.920 5.881 5 40 JKBB Cc1cc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)ccc1[N+](=O)[O-] 3383485 NUZHJLQTRGGKCV-UHFFFAOYSA-N 455.348 5.606 5 40 JKBB CCOc1ccccc1[C@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 9847161 OHMUBFMYNMYPJM-GDLZYMKVSA-N 493.563 6.355 5 40 JKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)Nc2nc4ccccc4s2)ncnc13 13086154 BESCBECGNXITAK-UHFFFAOYSA-N 473.608 6.042 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cccc(-c4nc5cc(Cl)ccc5o4)c3)cc2[N+](=O)[O-])CC1 13362018 YZIMYXLLHMQPKB-UHFFFAOYSA-N 490.947 6.545 5 40 JKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])C1 13525334 AHKFDJHLDZNGGD-OKILXGFUSA-N 465.333 5.424 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1Cl 22712269 SUKAQJBHFCRYHO-RMKNXTFCSA-N 476.341 5.996 5 40 JKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 22740623 FOXIGTYYRHZCMO-UHFFFAOYSA-N 483.480 6.541 5 40 JKBB C[C@H]1CCC[C@@H](n2c(=O)c3ccc4c(=O)n([C@H]5CCC[C@@H](C)[C@H]5C)c(=O)c5ccc(c2=O)c3c45)[C@H]1C 36019146 AASLOMJBKLCZLF-WKBIJGOZSA-N 486.612 5.060 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nc3n(n2)[C@@H](c2cc(F)cc(F)c2)C2=C(O)CCCC2=N3)cc1 102664569 AYJPBEVGIZKMDZ-FQEVSTJZSA-N 469.473 5.428 5 40 JKBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC 225756904 AMZARUXAXVRSJV-QGZVFWFLSA-N 454.523 5.399 5 40 JKBB CCN(CC)c1ccc2nc3c4ccccc4c(=NC(=O)c4ccc5ccccc5c4)cc-3oc2c1 256081031 KISNZWYZDRRYKE-UHFFFAOYSA-N 471.560 6.826 5 40 JKBB O=C(Nc1ccccc1C(=O)N1[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 408686771 SUAMGBQQIMPRGO-ACKJMCFBSA-N 491.503 5.296 5 40 JKBB O=c1cc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c2c(ccc3ccccc32)o1 3295449 QHHPDLJPOBGFKS-UHFFFAOYSA-N 493.563 6.684 5 40 JKBB COc1cc(-c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)o2)cc(OC)c1OC 3364820 BXMWNWPZRAFATC-UHFFFAOYSA-N 476.510 5.314 5 40 JKBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2c4ccccc4cc4ccccc24)N3)C1 8722165 IHOHCOCXZAJRRL-HSZRJFAPSA-N 457.555 5.423 5 40 JKBB O=C(Cc1cccc2ccccc12)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 9062391 RMEMWIPLTLDJJP-UHFFFAOYSA-N 493.479 5.232 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc(C)c(C)c2)c2nc(CCCC)n3c4ccccc4nc3c12 9293078 BBGOZEJJOKBRAT-UHFFFAOYSA-N 468.601 6.881 5 40 JKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 9636671 NVSRYIFVBUTHEE-KEZOAJOQSA-N 475.342 5.345 5 40 JKBB COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 12856908 ZOODGXCXKUPNFW-UHFFFAOYSA-N 469.453 6.232 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3)cnc2n1Cc1ccc([N+](=O)[O-])cc1 13500037 GGYMVIWOQXZATH-UHFFFAOYSA-N 458.522 5.683 5 40 JKBB Fc1ccc(OCc2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cc1 13643947 QCCJXDGYYMJCRU-UHFFFAOYSA-N 477.471 6.210 5 40 JKBB CCOC(=O)c1ccc(-c2ccc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)cc1 16687897 ZGQGIMCCAAMXQE-UHFFFAOYSA-N 474.263 5.151 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 20759864 WCUUCLVODQCGSN-UHFFFAOYSA-N 459.698 5.336 5 40 JKBB O=C(c1ccco1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 34107888 ODAXEJLETUYBIE-KLLTYKNHSA-N 472.457 5.533 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 57313243 MVEXSPYOMSHLDJ-UKTHLTGXSA-N 499.910 7.277 5 40 JKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-] 59463620 ZHCYMIFEOGWPHB-UHFFFAOYSA-N 480.889 6.199 5 40 JKBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 101326042 WXVVXKOHYHOWGA-UHFFFAOYSA-N 455.253 5.927 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccco1 102788396 FIXAMUNRUJXBJH-WGDIFIGCSA-N 457.486 6.148 5 40 JKBB O=[N+]([O-])c1cccc([C@H](O)C2([n+]3ccc(-c4ccccc4)cc3-c3ccccc3)CCCCC2)c1 105350734 GFWMOQZPCGNACG-LJAQVGFWSA-N 465.573 6.609 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224386787 CPBDHFXDHFVSQH-FTJBHMTQSA-N 484.581 6.550 5 40 JKBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 408621577 OSLWCXJKBCAZDT-UHFFFAOYSA-N 485.334 5.896 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 409334915 JBOYZAMIRKSZKV-PDIWNELESA-N 465.303 5.557 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 8892441 ZMBRZULSQGUVKF-UHFFFAOYSA-N 470.451 5.193 5 40 JKBB CSc1ccc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)cc1 9015629 WIEPPZOHANJRBY-QHCPKHFHSA-N 496.552 6.052 5 40 JKBB COc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc(-c3ccccc3)nc12 12486326 DTJAFFVHPLIONS-UHFFFAOYSA-N 460.515 5.253 5 40 JKBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13129648 UKENJHXOWPKURE-UHFFFAOYSA-N 486.871 5.870 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 22572932 NJDMSDITKIGEQY-UHFFFAOYSA-N 463.925 5.885 5 40 JKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 22751521 FRHVGDWOYSRXCA-UHFFFAOYSA-N 493.353 5.898 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c3)nc2c1 32109329 PQPCAAHRFODZOL-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)Nc2cccc(Cl)c2)cc1 44086558 YSOUWJJKSFCIGT-UHFFFAOYSA-N 478.961 6.140 5 40 JKBB COc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 59294365 ARHKGXXLSQSVMG-SDNWHVSQSA-N 481.464 6.324 5 40 JKBB CCC1(CC)C[C@@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2O1 225569006 BGKNXRYNGVUWPI-GBOLQPHISA-N 456.542 6.334 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 12318973 WKFVJEUYHNQGMM-PWAGRJGVSA-N 467.518 5.252 5 40 JKBB biogenic Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(-c2nc3cc(Cl)ccc3o2)c1O 12651582 IWAGQODJZSPMRN-UHFFFAOYSA-N 453.838 5.088 5 40 JKBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(Cl)cc1C(F)(F)F 13074581 WUFZUOQQCGZLAX-UHFFFAOYSA-N 468.771 5.323 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 16610760 PBTNOTZJXFKAIG-AWEZNQCLSA-N 460.446 6.077 5 40 JKBB CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)c5ccccc5O4)cc3[N+](=O)[O-])sc2c1 59488123 AMCMVHSJZTUCBD-JOCHJYFZSA-N 479.539 5.575 5 40 JKBB CNc1ccc(/C=C2/CCCCn3c2nc2sc(C)c(-c4ccccc4)c2c3=O)cc1[N+](=O)[O-] 104838941 SWRXRYPZMBSUMB-RGEXLXHISA-N 472.570 6.108 5 40 JKBB CCOC(=O)C1=C(C)N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@@H]1c1cccc(Br)c1 408993276 WAAARRPYOQUKOD-LJQANCHMSA-N 490.379 5.128 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 409179772 SHPWKBGYGVRLKP-UHFFFAOYSA-N 478.460 5.342 5 40 JKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 409196703 YRQXUICUHWGSTM-LCUIJRPUSA-N 463.946 6.032 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 409345132 KOSRWJSJWQFEQF-NDENLUEZSA-N 480.523 5.567 5 40 JKBB C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)C[C@@H](C)O1 1037948 AOOYUYSVKYMNDD-GHMZBOCLSA-N 495.768 5.145 5 40 JKBB O=C(Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1)c1ccc([N+](=O)[O-])cc1 1771733 ZXIXHDWSJCHVLG-UHFFFAOYSA-N 479.444 6.380 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2Cl)cc1 2213460 CIMOKJWHLWUDLZ-UHFFFAOYSA-N 480.709 5.960 5 40 JKBB O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(Br)cc1 3316330 YNHFHWUTTWYPOV-LJQANCHMSA-N 489.709 5.548 5 40 JKBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 9425913 YITVMTGTLDHNBU-UHFFFAOYSA-N 474.252 5.161 5 40 JKBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 9495311 NUADCQPLEQKFLD-NRFANRHFSA-N 456.285 5.086 5 40 JKBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1Cl 20610839 YHXIWJUWHLQJIQ-UHFFFAOYSA-N 489.875 5.503 5 40 JKBB O=C(Nc1ccc(I)cc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 57316118 PEYOLYPMSZHVAO-UHFFFAOYSA-N 493.109 5.973 5 40 JKBB O=C1/C(=C/Nc2ccccc2[N+](=O)[O-])c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 103005076 JFQJEYZJNAERSS-QGOAFFKASA-N 453.376 5.254 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408571922 PXBWICNVPDUQKH-DEOSSOPVSA-N 495.004 6.227 5 40 JKBB CCCCOc1ccc(C2=N/C(=C/c3cccc(OC(=O)c4cccc([N+](=O)[O-])c4)c3)C(=O)O2)cc1 409006165 YAOOEBWNKORBOR-LFVJCYFKSA-N 486.480 5.337 5 40 JKBB O=C1N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 409246462 IUAPFLJJALMHDC-LPYMAVHISA-N 472.888 5.349 5 40 JKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 409350585 YBZKZBLHEUZKQI-HMAPJEAMSA-N 490.541 5.184 5 40 JKBB O=c1c2cn(-c3ccc(F)c(F)c3F)c3cc(Cl)c([N+](=O)[O-])cc3c-2nn1-c1ccccc1 8453948 RXLAYASAKUBUNH-UHFFFAOYSA-N 470.794 5.260 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCc1csc(-c2cccc(Cl)c2)n1 8782256 AERFAWNFTOUCLY-UHFFFAOYSA-N 472.832 5.953 5 40 JKBB O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9223466 KFYPDMCOALDBSL-UHFFFAOYSA-N 485.374 5.217 5 40 JKBB COc1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)cn2-c2ccccc2)c(OC)c1 9439129 CGLFOUFGIUCQST-UHFFFAOYSA-N 490.541 5.196 5 40 JKBB Cc1ccc([P@](=Nc2ccc([N+](=O)[O-])cc2)(Oc2cccc(Br)c2)C(C)(C)C)o1 12575342 ALURLYBSSRICBI-LJAQVGFWSA-N 477.295 7.209 5 40 JKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(C4CCCCC4)cc3)cc2[N+](=O)[O-])C1 12660343 LEZAINMZBDRYKA-BGYRXZFFSA-N 478.589 6.165 5 40 JKBB Cc1ccc([C@@H]2C[C@@H]2c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cc1 13643783 ZQSPYJRXUOHUDV-HKUYNNGSSA-N 483.547 7.071 5 40 JKBB Cc1cc2nc(/C=C/c3ccc(Oc4ccc(C(C)(C)C)cc4)c([N+](=O)[O-])c3)sc2cc1C 16035561 NPVPKELWYCZWSD-NTUHNPAUSA-N 458.583 8.082 5 40 JKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 21580529 NJDPWKBWTGPPRD-UHFFFAOYSA-N 478.917 6.267 5 40 JKBB Cc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(C)cc1I 21595418 DEMMXIFGIGSSSC-UHFFFAOYSA-N 486.718 5.937 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1 225061251 KEOPTCXEUACTSF-UIOOFZCWSA-N 499.596 5.725 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccccc1 408573104 SLVJZYGJSOTUND-QHCPKHFHSA-N 464.522 5.404 5 40 JKBB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408607316 JWDWHEONFQNTBU-UHFFFAOYSA-N 496.825 6.378 5 40 JKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2ccccc2)cc1)OCc1ccccc1 409000568 XMFKGLZHYWGMLA-MHZLTWQESA-N 495.535 5.738 5 40 JKBB Cc1cccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1 409131457 JCBAAKRLXHOWMA-NDEPHWFRSA-N 463.537 6.265 5 40 JKBB CCOc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409251636 ATNXTJPJGARTEB-UHFFFAOYSA-N 460.433 7.081 5 40 JKBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 2641132 UWNZUKIHHDZWCO-SANMLTNESA-N 459.509 6.706 5 40 JKBB CN(c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nn1-c1ccccc1 3374938 ODAKBECNSOYNET-UHFFFAOYSA-N 489.535 6.468 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 6136383 CJEBCIWCKGBZOC-UHFFFAOYSA-N 496.548 6.382 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 8590524 WSXGZRRQHIZPTM-UHFFFAOYSA-N 453.454 6.532 5 40 JKBB COC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3O)n[nH]c2C)cc1 9160525 CWFYVANULOWZOJ-UHFFFAOYSA-N 475.457 5.157 5 40 JKBB Cc1ccc(OCc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)c([N+](=O)[O-])n1 9469711 HGMDIJFHSKKQHZ-OAQYLSRUSA-N 457.280 5.248 5 40 JKBB O=C(COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 25389568 PWMKCNZNAKLCPL-UHFFFAOYSA-N 495.466 5.898 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F 224908503 HECPNSCMXQBRMT-RPWUZVMVSA-N 473.533 5.405 5 40 JKBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)c(C)nc21 2255336 YZPUIHZFDJPAJV-UHFFFAOYSA-N 475.552 5.016 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)C[C@H]1C 13511419 NTGOSEYRJZPDST-SKCUWOTOSA-N 499.611 7.079 5 40 JKBB O=c1/c(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)sc2nc3ccccc3n12 169091618 YVDOCMBJVSCORO-JAIQZWGSSA-N 498.347 5.251 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224476664 ILHNYAWJOONRCL-XZOQPEGZSA-N 476.945 6.080 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F 408574456 UVPRAESGHMACRP-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB Cc1ccccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 408694987 NHMNICBUOZYBRN-UHFFFAOYSA-N 478.306 5.166 5 40 JKBB O=C(Oc1ccc(I)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408720913 AZTVGFVTQZZBSO-UHFFFAOYSA-N 465.250 5.088 5 40 JKBB O=C(Nc1ccc(I)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408926981 XCJLDEFNEJJLBG-XSFVSMFZSA-N 470.266 5.379 5 40 JKBB CCOc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 409096189 CRPISHFKNHGRCW-UHFFFAOYSA-N 487.463 5.806 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2Cl)N1Cc1ccccc1 409139867 PBVZYPGUJFAFRJ-MHZLTWQESA-N 483.955 6.610 5 40 JKBB Cc1nc2c3c4c(sc3n3c(SCc5ccc(Cl)cc5Cl)nnc3n2n1)CCCC4 2372771 XQCGAAKVPDNBKF-UHFFFAOYSA-N 475.430 5.773 5 40 JKBB CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3c2C1 8765730 KYPDREOGWANLED-CYBMUJFWSA-N 462.955 5.946 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1Cl 9972114 WMXBVFLGWCVJJC-JLHYYAGUSA-N 499.910 7.277 5 40 JKBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14272846 AOMMHYUTSDYWFO-UHFFFAOYSA-N 457.421 5.289 5 40 JKBB Cc1ccc(S(=O)(=O)/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 16309074 ACTSYEDSFNDHQI-WCTVFOPTSA-N 482.586 6.461 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224354629 ANQAHXJPDVQWOH-RPBOFIJWSA-N 470.554 5.989 5 40 JKBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 224589157 XQYYIDLTBTXCAW-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB Cc1c(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 1893508 AWSONBFDYYYENA-UHFFFAOYSA-N 486.358 6.396 5 40 JKBB O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 2198161 NYJVTBPUKCDLIT-UHFFFAOYSA-N 452.260 5.710 5 40 JKBB biogenic O=C1/C(=C\c2ccccc2)N=C(SCc2cc([N+](=O)[O-])cc3c2OCOC3)N1c1ccc(F)cc1 3416536 HDOSPDHISMVBAF-LSHDLFTRSA-N 491.500 5.278 5 40 JKBB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2cccc(C)c2[N+](=O)[O-])cs1 9022245 NCMXPHTWPHWSHL-UHFFFAOYSA-N 479.436 5.420 5 40 JKBB CCCCCCOc1ccc(C(=O)Nc2ccccc2OC(=O)c2cccc([N+](=O)[O-])c2)cc1 9426039 VRINGUJCSXWVSQ-UHFFFAOYSA-N 462.502 6.025 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](Sc1ncnc2ccccc12)c1ccccc1 9539638 OYTCGUSLYWWAEN-FQEVSTJZSA-N 495.358 5.773 5 40 JKBB FC(F)c1cc(-c2ccccc2)c2c(n1)sc1c2ncn2nc(-c3nc(-c4ccccc4)no3)nc12 13643963 DZGSMSBAZKMIQG-UHFFFAOYSA-N 497.490 6.209 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)nc2c1 14278076 DVQSWNNBLRRECE-UHFFFAOYSA-N 486.528 5.417 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463598 PQSQCUBJMUCMFW-UHFFFAOYSA-N 460.471 5.854 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214208971 OWBPYPXNTQTYTK-YDZHTSKRSA-N 494.500 5.558 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1c[nH]c2ccccc12 408568149 HTQCAHVICFERFW-IBGZPJMESA-N 459.304 6.601 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)c1 408573113 SNCOUOVKKJHQRI-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408607301 JSQIMNUSNLACJP-UHFFFAOYSA-N 453.407 5.004 5 40 JKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 409172066 BLBHGMOVFKGYCL-UDWIEESQSA-N 495.538 5.252 5 40 JKBB O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409177671 BWCUGLNBSPYQFI-UHFFFAOYSA-N 459.479 5.314 5 40 JKBB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 3170577 KPCVRYXPCAIGRR-QMHKHESXSA-N 463.921 5.781 5 40 JKBB O=[N+]([O-])c1ccc(Oc2sc(Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)cc1 3666743 MFMBMBJMDPWGGD-UHFFFAOYSA-N 458.326 7.561 5 40 JKBB O=[N+]([O-])c1ccccc1-c1nc2cc(-c3ccc4nc(-c5ccccc5[N+](=O)[O-])[nH]c4c3)ccc2[nH]1 6446160 GPSAUQKAHONWDF-UHFFFAOYSA-N 476.452 6.257 5 40 JKBB O=C(NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(Cl)cc1 9391880 YEKGBLLCRWDUQL-UHFFFAOYSA-N 465.962 5.925 5 40 JKBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OC)cc1 16682610 RYQWEKGCWVBHTR-HSZRJFAPSA-N 480.908 5.159 5 40 JKBB COc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 19894510 VAXKFRDHVDMREY-UHFFFAOYSA-N 487.581 6.944 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 408571955 QBMROLMQFNOAHL-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 409176672 UQAWSJRHLUNDOG-MUUNZHRXSA-N 482.492 5.634 5 40 JKBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc2c(Cl)cccc12 8831134 QIEKCPDPIJWEDA-UHFFFAOYSA-N 468.947 5.652 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl 14360617 ZAGLYBAVSSVKRZ-ABSORMQESA-N 450.878 5.493 5 40 JKBB C[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 15134566 CHMLMVVLVGKIDN-XHCCPWGMSA-N 450.494 6.161 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)c1)OCOC2 89857530 PJUSDZZEBQPPPU-UHFFFAOYSA-N 464.478 5.140 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1)c1c[nH]c2ccccc12 408566703 FZPTVNKBYOSCKE-NRFANRHFSA-N 469.310 6.057 5 40 JKBB O=C(O)c1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408757386 MTVKMPXTOVMFKR-UHFFFAOYSA-N 487.855 5.644 5 40 JKBB O=[N+]([O-])CCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1OCc1ccccc1 670432134 LGSQKNXEZOYVAL-UHFFFAOYSA-N 469.537 6.243 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1828130 QDSNLVBESIFTJZ-UHFFFAOYSA-N 496.914 5.202 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1C1CCCC1 2256042 XGIQQEOMMDWKCJ-UHFFFAOYSA-N 450.329 5.706 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 12561240 QXLZYJYDQQRWMP-UHFFFAOYSA-N 489.484 5.097 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 25023588 WSLALUCWQBIUQK-SFHVURJKSA-N 453.567 5.171 5 40 JKBB Cc1ccc(OCCCn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)c([N+](=O)[O-])c1 62588322 GDBRBJPSBRBCPQ-UHFFFAOYSA-N 494.345 5.512 5 40 JKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3ccc4ncccc4c3)c12 79188810 VVUINKRPYXKQNE-UHFFFAOYSA-N 478.552 6.830 5 40 JKBB biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]([N+](=O)[O-])[C@H]2C1 118931961 LKHJDALEYCAKSL-SBJPRDOKSA-N 475.714 7.295 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224345982 VEWFVZBNHQEIMK-JWQCQUIFSA-N 469.570 5.520 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1 225061176 KEOPTCXEUACTSF-FTJBHMTQSA-N 499.596 5.725 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 408613630 ZAMGZBKNTYNDGT-UHFFFAOYSA-N 475.314 6.086 5 40 JKBB Cc1ccc(C(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1 408750822 SBXWSGMUOFSYRO-UHFFFAOYSA-N 489.534 5.289 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])ccc1Cl 409051456 AELIOGSPHSXXBS-UHFFFAOYSA-N 498.879 6.338 5 40 JKBB Cc1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 409319379 FFFQKYSSCIBOEI-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)c1 2248974 QTMAGOZNDUESHY-UHFFFAOYSA-N 479.971 5.911 5 40 JKBB C[C@@H]1CCCC[C@@H]1n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1cccnc1 2618156 OFJUSEIUPROROF-QRWLVFNGSA-N 467.551 5.158 5 40 JKBB O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3361283 DAHWHNHAKHFHTM-UHFFFAOYSA-N 464.688 6.143 5 40 JKBB O=C(Nc1cccc(Br)c1)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3667429 OPWZDPBHWJOIGX-UHFFFAOYSA-N 481.224 6.421 5 40 JKBB COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc32)cc1 12622017 FDMDXQDFVGAPRA-AWEZNQCLSA-N 482.949 5.715 5 40 JKBB COc1ccc(N(C(C)=O)c2nc(/C=C/c3nc4ccc([N+](=O)[O-])cc4s3)cs2)cc1 12760157 RKDRKGKLZYZRAZ-XCVCLJGOSA-N 452.517 5.525 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13541242 AEMQDLSNILVURF-HXFQDRMMSA-N 499.592 5.030 5 40 JKBB O=C(OCc1ccc(Br)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 16401669 IRXPIGLMOAUQAL-UHFFFAOYSA-N 473.235 5.415 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 35377541 OPYRSVAUTXDXIH-ODLFYWEKSA-N 485.315 5.854 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)N1CCc2ccccc21 44087129 RXPPIDUYQKOESU-UHFFFAOYSA-N 474.517 5.268 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br 106731078 PZBKKCNVQPRGFG-UNOMPAQXSA-N 484.331 5.385 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 223406787 CFUVXHXCTQPFDQ-DNQXCXABSA-N 456.527 5.423 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 224287383 CMSHGVYFKWFLKV-RPBOFIJWSA-N 470.554 6.044 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225053078 OGVSHSGEWHNHLC-CLJLJLNGSA-N 498.612 5.255 5 40 JKBB CC1CCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)CC1 225507159 AIAOSTXWJRTNRG-UHFFFAOYSA-N 465.594 5.546 5 40 JKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225616150 LNTHZLGCWRNOAK-VGOFRKELSA-N 492.041 5.204 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1C 408566307 FGZYMKZHNUXVEL-RUZDIDTESA-N 474.586 5.882 5 40 JKBB CN(C)c1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408976158 PUHRCQMYBQMRBB-UHFFFAOYSA-N 459.513 5.589 5 40 JKBB CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c(=O)c2c1C 409109497 GDRYHVJZMDDYGU-UHFFFAOYSA-N 451.573 5.909 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1Cc1ccccc1Cl 2256434 YMJGCUBACKAIHT-UHFFFAOYSA-N 472.335 5.639 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 6906620 SVGKQJFXIBHFPG-UHFFFAOYSA-N 464.478 5.084 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 8895130 VUKAZRNIIFEAEZ-UHFFFAOYSA-N 478.755 5.599 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 13388941 KYGXQOZYVYOFBN-UHFFFAOYSA-N 464.934 5.898 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5c(Cl)c(C(F)(F)F)nn5C)nc34)c12 22709914 ANIWKOGJSMCZQN-UHFFFAOYSA-N 473.818 5.206 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1 22718358 FUYSGHUSWVAUAR-KRWDZBQOSA-N 481.508 7.429 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224380440 MMOKTWKZURPYQM-IZZNHLLZSA-N 484.581 6.550 5 40 JKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O)n[nH]1 408634737 XAZQYXXCQBTBKE-ODLFYWEKSA-N 498.904 5.520 5 40 JKBB COc1ccccc1[C@@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 409120440 VRJOBVHXHPEZLG-NDEPHWFRSA-N 479.536 5.965 5 40 JKBB Cc1ccccc1NCc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409182358 KGINVBJAHMERME-UHFFFAOYSA-N 468.509 6.665 5 40 JKBB COCCN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409214685 ZVJPGQGZCGEYMA-LICLKQGHSA-N 468.409 5.089 5 40 JKBB CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2scc(-c3ccccc3)c2c1=O 8824643 RPXFKFRSMJVXCG-UHFFFAOYSA-N 491.554 5.395 5 40 JKBB CC[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)Nc1ccc(Br)cc1 9763480 VKXJXTZMODLUNY-KRWDZBQOSA-N 490.383 5.145 5 40 JKBB COc1cc(NC(=O)COc2ncnc3scc(-c4ccc(Cl)cc4)c23)c(C)cc1[N+](=O)[O-] 12533204 RKXOQYOFOKBVSB-UHFFFAOYSA-N 484.921 5.254 5 40 JKBB CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2[N+](=O)[O-])CC1 12623705 CTLCQZQSNCXKRB-UHFFFAOYSA-N 499.873 5.299 5 40 JKBB COc1ccc(-n2c(-c3ccccc3)c(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1 14359089 NUFTZVAKEZRRFK-UHFFFAOYSA-N 462.509 5.736 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)o2)cc1Cl 16313027 NKBVZEKCKXDPLD-RMKNXTFCSA-N 486.355 5.832 5 40 JKBB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1Br 19927324 RAHBHJWKNVCPLY-UHFFFAOYSA-N 499.140 5.145 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 22706506 BYOIINFVHNJZGN-UHFFFAOYSA-N 470.529 6.181 5 40 JKBB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)c1 57313563 OCVFBMLLLBYDIU-UHFFFAOYSA-N 465.918 6.276 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215028308 JZCJMMVGHRLZAK-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccccc1 408575370 WAWDPYUASPGRKP-HSZRJFAPSA-N 464.522 5.404 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1 2247303 GAHPOALYZBMHBM-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3cc(C)ccc3n2)cc1 2358937 LAFATTGADNGEPR-UHFFFAOYSA-N 456.454 5.167 5 40 JKBB COc1cccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1OC 9187431 IJAVZDHUIOVMMN-QFIPXVFZSA-N 468.465 5.010 5 40 JKBB COc1cccc2sc(N(CCCN(C)C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc12 12140979 IOHQMHRLDCOQQE-UHFFFAOYSA-N 470.576 5.026 5 40 JKBB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 12623433 NMFQRBWQKQTOBS-UHFFFAOYSA-N 487.534 5.074 5 40 JKBB COc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 13150139 IJXWVCPYHCAFHM-UHFFFAOYSA-N 491.283 5.498 5 40 JKBB O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 13946240 JDKLXLPEXGOTTG-UHFFFAOYSA-N 483.805 5.027 5 40 JKBB CC[C@H](NS(=O)(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1)c1cc(Cl)ccc1Cl 15083441 YJUVBDDCIAUMGR-IBGZPJMESA-N 479.341 6.231 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 44087619 CXSPLWKRQLUPIX-UHFFFAOYSA-N 499.379 6.485 5 40 JKBB Cc1c(O)ccc2c1oc1c(-c3cc4cc5c(cc4[nH]c3=O)OCO5)c3cnn(C(C)C)c3nc12 96115334 LWTMTOUWLSBGHO-UHFFFAOYSA-N 468.469 5.163 5 40 JKBB biogenic O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 226333896 CRYDTGWOULSLPD-MYYWXDOXSA-N 460.961 7.124 5 40 JKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409171197 YRQTZVRSRJLTLH-UDWIEESQSA-N 477.498 5.147 5 40 JKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 409180007 TZCSILWVUPWVSS-UHFFFAOYSA-N 466.537 7.215 5 40 JKBB O=c1c2ccc3c(=O)n4c5cccc6cccc(nc4c4ccc(c2c34)c2nc3ccccc3n12)c65 3833771 BWSCAIGEIRDVTQ-UHFFFAOYSA-N 462.468 5.497 5 40 JKBB COc1ccc(-c2c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3O)n[nH]c2C(F)(F)F)cc1 9129454 RIHDCIMLAAMTDE-UHFFFAOYSA-N 485.418 5.964 5 40 JKBB CCN(CC)S(=O)(=O)c1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1 9316202 YFWSMUUDHPTHAS-UHFFFAOYSA-N 478.530 5.028 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 9668086 ANSPTFCKXBOLOK-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Br)c2ccccc2)cc1/C=C\c1ccccc1 13403284 IZUCMCYILUILLB-PLPGPOEOSA-N 451.276 6.566 5 40 JKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Br)cccc12 22745059 NNGYBMOIVQGBPF-UHFFFAOYSA-N 487.360 5.247 5 40 JKBB O=[N+]([O-])c1cc(/C=C(\Cl)c2nc(O)c3c(-c4cccs4)csc3n2)c(F)cc1F 40116063 RCBDHBOHZAJOCB-WMZJFQQLSA-N 451.863 6.049 5 40 JKBB C[C@@H]1Oc2ccccc2C=C1c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCCCC1 95473727 NJENGFWPCDENOP-INIZCTEOSA-N 481.552 6.959 5 40 JKBB COc1ccc(/C=C2\CN(C)C[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 106617431 WGMNVNHAENLSHC-YWXACFGCSA-N 484.556 5.175 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224345937 VEWFVZBNHQEIMK-LOSJGSFVSA-N 469.570 5.520 5 40 JKBB CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1 408988412 DJQVKZCLZXJJIU-UHFFFAOYSA-N 486.915 6.012 5 40 JKBB O=C(Nc1ccccc1C(=O)NCc1ccco1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409124190 AAXAXTIDZNHQIF-JJIBRWJFSA-N 467.481 5.297 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)Oc1ccccc1Cl 409155758 MQDPYJDJWAEVGA-AWEZNQCLSA-N 475.958 5.039 5 40 JKBB C/C=C1/C[N@@+]2(Cc3ccc(Br)cc3)CC[C@@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 524730714 UDBNIPZXXJZGML-PFBLZGLUSA-O 462.411 5.984 5 40 JKBB biogenic CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 1946312 PRXNXBSFHLKKMJ-UHFFFAOYSA-N 475.320 5.515 5 40 JKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)c1 2254284 VYKMCEWRNJXTCO-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB O=C(OCc1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 3105644 UNHGYVRZNAEIQC-UHFFFAOYSA-N 454.212 6.329 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)c(C)c1 8832205 AGIYLQHBFKNXGB-UHFFFAOYSA-N 472.549 5.352 5 40 JKBB COc1c(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc2ccccc2c1Br 10010605 YPSXONAPGHQKLK-UHFFFAOYSA-N 488.319 5.390 5 40 JKBB Cc1ccc2oc(-c3ccc(CNC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)cc3)nc2c1 10372894 ATFHGUUECMNQEY-UHFFFAOYSA-N 455.514 5.840 5 40 JKBB CCN1C/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c2nc3ccccc3c(C(=O)O)c2C1 32642200 QRIJUCMGNPRGKC-FOWTUZBSSA-N 485.496 5.486 5 40 JKBB COc1ccc(Oc2ccc(/C=C3/N=C(c4cc(Cl)cc([N+](=O)[O-])c4)OC3=O)cc2[N+](=O)[O-])cc1 95948276 APQKZITYPUIRNM-UFWORHAWSA-N 495.831 5.302 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106701918 NTIMEORXGWFJPC-UCQKPKSFSA-N 460.511 5.719 5 40 JKBB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224760419 FFSJDUMJACTHHH-RPWUZVMVSA-N 488.594 6.220 5 40 JKBB CC[N+](CC)(Cc1ccccc1)C[C@H](O)COCCOc1ccc(C(C)(C)C)cc1C(C)(C)C 226070073 RMTWXAVQBGQIFW-SANMLTNESA-N 470.718 6.095 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2cccc(F)c2)c(Br)c1)c1c[nH]c2ccccc12 408575061 VVXMUOQNVREOSZ-HXUWFJFHSA-N 469.310 6.057 5 40 JKBB COc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409117125 NMGDDMKPRFXIFB-UHFFFAOYSA-N 473.323 5.566 5 40 JKBB O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 409336691 VHZMHRVVYXLRLR-UHFFFAOYSA-N 483.487 5.317 5 40 JKBB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 2260860 BTPJAGLGMDQWSP-OYHNWAKOSA-N 496.516 5.213 5 40 JKBB aggregator O=C(OCc1ccccc1)c1c([N+](=O)[O-])c(Br)cc(OCc2ccccc2)c1[N+](=O)[O-] 2572939 MMIMIFULGMZVPO-UHFFFAOYSA-N 487.262 5.202 5 40 JKBB COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 3146813 RWRNDQPEGZMQQC-UHFFFAOYSA-N 488.283 5.193 5 40 JKBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCCOc2cccc(Br)c2)n1 3288416 SFMFHBYDMAHFSA-UHFFFAOYSA-N 495.376 5.509 5 40 JKBB CCOc1ccc(-c2nc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)sc2C)cc1 3356075 AADBYJYQTNKDSZ-UHFFFAOYSA-N 456.523 6.029 5 40 JKBB CCOc1cccc(C(=O)N2c3ccc([N+](=O)[O-])cc3-c3c(ssc3=S)C2(C)C)c1 6631291 LGHIDIHZYCOLEG-UHFFFAOYSA-N 458.586 6.408 5 40 JKBB CC(C)CC(=O)Oc1cn(Cc2ccc3c(c2)OCO3)c2nc(CC(C)C)n3c4ccccc4nc3c12 9124142 BBXHBGYIGHZRIA-UHFFFAOYSA-N 498.583 5.764 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc(OC)c(Cl)c2)c2nc(CCC)n3c4ccccc4nc3c12 9293057 AHGSWEJEKSTHFK-UHFFFAOYSA-N 476.964 6.146 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2cccc(C)c2C)c1C 13424280 SYJVAXOZSOSODF-UHFFFAOYSA-N 481.530 5.181 5 40 JKBB COc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N2CCCC2)cc1 16044189 ZGRGQZSLWXVUKZ-XMMPIXPASA-N 495.963 5.616 5 40 JKBB COc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5ccc(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1 16348640 FTTYLAAPKUHYDW-UHFFFAOYSA-N 483.480 5.910 5 40 JKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223782603 KYLAKQQKRBOBST-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224345690 KTHDXBZXYUHAHS-RPBOFIJWSA-N 469.570 5.520 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224956087 JJSLTYGVCPFMAU-UHFFFAOYSA-N 478.302 6.240 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(F)cc1 408573060 SHKJJUBTLWHSKR-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 868987 TUUCADKIVOEFHB-UHFFFAOYSA-N 473.558 5.444 5 40 JKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2267530 HPSZDJFYTVXRQH-MHZLTWQESA-N 491.012 7.598 5 40 JKBB O=[N+]([O-])c1ccc([C@H](Nc2nncs2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 8453403 SDMQERFJFAKIFP-HXUWFJFHSA-N 468.431 5.908 5 40 JKBB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 8831098 KGXBTXKCQDVXCI-UHFFFAOYSA-N 452.517 5.208 5 40 JKBB Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1 10120422 REWWAIYJOQKVNQ-UHFFFAOYSA-N 481.508 6.518 5 40 JKBB Cc1ccc(Sc2ccc(COC(=O)Nc3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 12955159 ZFGAOPLRHUNGSB-UHFFFAOYSA-N 462.449 6.822 5 40 JKBB O=[N+]([O-])c1cc(CSc2c(Cl)cccc2Cl)ccc1Sc1ccc(Cl)cc1 12956209 FOCCQIXTZWKCFV-UHFFFAOYSA-N 456.803 7.999 5 40 JKBB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13121448 UTJCESONQOYHAB-SECBINFHSA-N 490.385 5.695 5 40 JKBB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 13121617 RMWDRDKDESDPHC-UHFFFAOYSA-N 455.518 5.771 5 40 JKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)cc1 20411253 FDPBDYIWQCBQLE-UHFFFAOYSA-N 491.956 7.647 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463602 RWAAUHVVLPEKAY-UHFFFAOYSA-N 494.370 6.709 5 40 JKBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)oc3ccc(Cl)cc3c2=O)cc1 101321892 TVKBXIQIPLFEKY-UHFFFAOYSA-N 450.834 5.283 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(F)cc1 102753803 CFQJURVDZRPFOM-ULNSLHSMSA-N 488.518 6.183 5 40 JKBB Cc1cccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Br)c1 408558439 REKRIBLOBBDPFA-UHFFFAOYSA-N 470.323 5.295 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 409162930 JQNSQASBHNSWGK-UUYOSTAYSA-N 491.525 5.455 5 40 JKBB COc1oc([C@H]2C/C(=C/C(C)=C/C(C)=C\C(C)=C\c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C 2048392579 IZICQJAGBLBAMJ-PAOOTZLISA-N 477.557 6.557 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1 2215299 AMEQNFVBSQJXDT-DEOSSOPVSA-N 450.494 6.116 5 40 JKBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 2736882 AAZMWWACAYWNEY-UHFFFAOYSA-N 459.414 5.146 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)no1 9447762 JYEIJOAXRXKUFX-DEOSSOPVSA-N 464.521 6.290 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Br)c1)O2 16739432 ADXKRRPIUFJAJY-RBBKRZOGSA-N 450.292 5.600 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSCc3csc(-c4cccc(Br)c4)n3)c1)OCOC2 32779068 PFZUEUUERBOIFD-UHFFFAOYSA-N 479.377 5.781 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)cc2[N+](=O)[O-])CC1 57314085 HYMPVBXWMJWEJT-UHFFFAOYSA-N 465.937 6.529 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 106717948 IABNEWNMWYXBBR-CHHVJCJISA-N 488.146 5.901 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 206442187 DTJPUSWDMACPAG-LGUFXXKBSA-N 499.548 5.575 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214040889 JSELAIRYRVLBOV-BUVRLJJBSA-N 490.537 5.809 5 40 JKBB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408607330 JYSJUGWLBOZFCA-UHFFFAOYSA-N 456.882 5.536 5 40 JKBB COC(=O)C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)c1ccccc1 9389980 ZHDRAJVJAVDJMO-GOSISDBHSA-N 484.892 5.083 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 33926911 GJIMZCRNDFWIFS-KXSOJQAOSA-N 493.519 6.025 5 40 JKBB COc1cc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3ccccc3c2=O)cc(OC)c1OC 101331071 STSOAWCBLWUNPE-UHFFFAOYSA-N 492.509 5.115 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224245449 RYOXJGODGZGYHI-DNQXCXABSA-N 455.543 5.266 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224322259 ZBKDHPOZKUOPTF-DQEYMECFSA-N 470.554 6.044 5 40 JKBB COc1ccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)o2)c([N+](=O)[O-])c1 408633236 JFCKGCAYCGAEEQ-ODLFYWEKSA-N 499.888 5.785 5 40 JKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1 408670475 QHKSACWNBLZWMD-UHFFFAOYSA-N 461.861 5.259 5 40 JKBB CCOc1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 409333680 LAJLHLWNRIGBLZ-UHFFFAOYSA-N 460.497 5.922 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2317923 UMEZYKCRPHWJGA-UHFFFAOYSA-N 496.368 5.403 5 40 JKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 4196519 HMOHQKVKFHXEQW-UHFFFAOYSA-N 456.454 5.167 5 40 JKBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccco3)=NN2c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 9374538 FFFLOVVIXQLYBY-XMMPIXPASA-N 495.926 6.807 5 40 JKBB Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2cc1C 10120407 IPVDSHNTMPAXPW-WYMLVPIESA-N 493.519 6.609 5 40 JKBB O=C(COC(=O)c1c2c(nc3ccccc13)CC[C@H](c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 13575300 XLBCQIOSFUMTJP-FQEVSTJZSA-N 466.493 5.455 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 13817487 QEKIEKMHKQUNFP-HQQJGFCBSA-N 499.592 5.030 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 14274567 SBVPMXVOMFSBOO-RMKNXTFCSA-N 476.341 5.996 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 20353418 YZSWLCCPJZNIMM-ZUFYJRLNSA-N 475.932 7.222 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 107558686 QLCRDUAJEIWOJT-UHFFFAOYSA-N 497.360 5.335 5 40 JKBB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCCC3)cc2)C1 225537082 BPJZTLYNLNYBJN-NRFANRHFSA-N 465.594 5.546 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 408834609 WPZNUCBUVKLDAE-UHFFFAOYSA-N 470.337 6.944 5 40 JKBB Cc1sc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc(O)c2c1C 408991590 OKFUWJPGGPYUGI-UHFFFAOYSA-N 466.569 6.350 5 40 JKBB O=C(O)c1ccccc1[C@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 409116810 LUNDISUHPYFCNW-HHHXNRCGSA-N 493.519 5.654 5 40 JKBB Cc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cc2c1c(=O)oc1ccc3ccccc3c12 1862466 TZLHQDZDLMPKSD-UHFFFAOYSA-N 455.469 6.729 5 40 JKBB CN(C)c1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 2326543 WGCKGYUFBBLHEK-SSUZURRFSA-N 473.960 5.302 5 40 JKBB Cc1ccc(C)c(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccc(Cl)c2)c1 3304226 DALOYYUOHGHGJH-UHFFFAOYSA-N 450.951 6.405 5 40 JKBB O=[N+]([O-])c1c(Oc2cccc(OC(F)(F)F)c2)ncnc1Oc1cccc(OC(F)(F)F)c1 4106749 LUEMLCVBTMIERZ-UHFFFAOYSA-N 477.273 5.767 5 40 JKBB CCc1cccc2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc(-c3ccccc3)nc12 6860500 JIDXUIOVOOMGDI-UHFFFAOYSA-N 458.543 5.807 5 40 JKBB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792162 ONZQYXYHVKHIKS-IBGZPJMESA-N 475.548 5.108 5 40 JKBB biogenic Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1C 9242567 GWTYASHSGQWRCS-UHFFFAOYSA-N 453.454 6.532 5 40 JKBB COc1cccc(N(C(=O)COc2ccccc2C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 9491571 UGNLSHWVSFYRED-UHFFFAOYSA-N 475.526 5.779 5 40 JKBB COc1ccccc1-n1cnnc1S[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 9669865 DDDXDVRSCPTQNY-OAQYLSRUSA-N 495.948 5.310 5 40 JKBB Cc1ccc([P@@](=Nc2ccc([N+](=O)[O-])cc2Br)(Oc2ccccc2)C(C)(C)C)o1 12575391 WNRJCVKYSOLLTD-GDLZYMKVSA-N 477.295 7.209 5 40 JKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccc(F)cc2)nc2ccccc12 12684298 OAFDCERHFWSIAB-UHFFFAOYSA-N 460.417 5.173 5 40 JKBB CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509728 UJTMQYGDLJWVBM-UHFFFAOYSA-N 458.522 5.683 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)Nc1cccc(Cl)c1 44087617 KMKMUJLZBICPMO-UHFFFAOYSA-N 499.379 6.485 5 40 JKBB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1ccccc1OCC 408993324 WEERYAQGPOBALV-QFIPXVFZSA-N 465.531 5.289 5 40 JKBB Cc1cccc(OCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)c1 409177272 GKSBEZYTRZLBPN-UHFFFAOYSA-N 469.493 6.632 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1 409178411 HLMBBLMBIDXVHK-FQEVSTJZSA-N 474.694 5.792 5 40 JKBB CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)[N@@]23)cc1 2049251858 KGEYAYVLHDNGOM-GSTLAZBSSA-N 457.530 5.593 5 40 JKBB O=C(Nc1ccc(-c2ccccc2)cc1)c1sc(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1786809 IBCIBAFPBCXMCC-UHFFFAOYSA-N 477.545 7.305 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(C)c(Cl)c2)cc1 2247050 GMAXHENIDAVJBC-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB COc1ccccc1N(C(=O)c1cccc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3330864 PODRFSGRNAVMEH-UHFFFAOYSA-N 499.470 6.724 5 40 JKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2NCCc2ccccc2)sc2c1CCCC2 6089558 ACXSUHJBMNXNDJ-UHFFFAOYSA-N 493.585 5.619 5 40 JKBB COc1ccccc1Cn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 9293066 FSWCFPMHWASSSI-UHFFFAOYSA-N 456.546 5.579 5 40 JKBB Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccc1Cl 9579742 CDFRRYRVPLONBO-UHFFFAOYSA-N 491.978 5.088 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 10060340 VNGVGCJTQRKDPA-FGZHOGPDSA-N 459.893 5.221 5 40 JKBB COc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(OC)cc3)c2Br)cc1 13960521 ZVQWKKFZQCOTJE-UHFFFAOYSA-N 494.345 5.953 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 14274988 HEIAHQLDYRJGSZ-ZZXKWVIFSA-N 496.759 6.341 5 40 JKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 20610600 WCDBVYYVKMAGDQ-UUILKARUSA-N 461.909 5.757 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12 22565992 DFFUMHSSRAQJEI-VUUXHMSQSA-N 458.901 5.209 5 40 JKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)ccc1[N+](=O)[O-] 32116569 YZEGZDSYUBAMRX-UHFFFAOYSA-N 468.263 5.432 5 40 JKBB O=C1CS[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N1c1ccc(Cl)cc1 408554984 GNRHLPRMPMCZHI-QFIPXVFZSA-N 475.353 6.259 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1 408571069 NFSNIXCRVKLVET-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408610640 QVBKUTBKIOUXCF-UHFFFAOYSA-N 455.898 5.277 5 40 JKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408610750 SAQQCVQXHBZSNQ-UHFFFAOYSA-N 481.763 7.145 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1 409176876 ZTSUVZOOUOMKBX-AREMUKBSSA-N 452.466 6.119 5 40 JKBB Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 1357311 JTSHVAYJMXYCSX-SFHVURJKSA-N 493.633 5.021 5 40 JKBB CCCCCCc1cc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(=O)oc2cc1O 1812515 BBWSNJUAIMOWSK-UHFFFAOYSA-N 450.516 6.320 5 40 JKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccc(Cl)cc3Cl)nc21 2345119 GAWOVCXCWRYGKE-UHFFFAOYSA-N 454.357 5.727 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 3669356 JJFFQZKWSGTNOS-UHFFFAOYSA-N 465.556 6.066 5 40 JKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1 9235645 UAZUAMVMZIMHHI-DHZHZOJOSA-N 451.479 5.095 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccccc1 9312434 YAGSEIQCOXLKEW-UBFVSLLYSA-N 497.532 5.374 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 10060338 SSSIKNJYRHICSS-YADHBBJMSA-N 459.893 5.221 5 40 JKBB C[N+]1(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN(c2ccccc2)CC1 12494905 JMJWLJXAKUGFJD-AREMUKBSSA-N 486.463 5.427 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccccc1[N+](=O)[O-] 13388937 MAZXXNJUANEFIN-UHFFFAOYSA-N 450.907 5.589 5 40 JKBB O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12)Nc1ccccc1[N+](=O)[O-] 13510973 MJVAPEGBPJXQRO-UHFFFAOYSA-N 457.924 5.046 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1OC 20411978 YEBLHQOXFSBDCM-UHFFFAOYSA-N 453.838 5.326 5 40 JKBB Cc1cc(O)c2cc3c(O)cc(O)c4c5c(O)cc(O)c6cc7c(O)cc(C)cc7c(c65)c(c2c1)c34 79669771 QQINNHAKJSAJPU-UHFFFAOYSA-N 476.484 6.894 5 40 JKBB O=c1[nH]c2ccccc2cc1-c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCC1 95477963 QNIOAANLQPUCSH-UHFFFAOYSA-N 452.470 5.366 5 40 JKBB Cc1ccc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)cc1[N+](=O)[O-] 108423167 ZJJSKDYLDBZBNQ-UHFFFAOYSA-N 495.539 5.483 5 40 JKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1c(Cl)cccc1Cl 214824537 CJXRRAXSJWNDNV-YDZHTSKRSA-N 464.373 7.536 5 40 JKBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Br 408575828 WWFOZBDKASYGRP-LJQANCHMSA-N 477.384 5.074 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 408610674 RIDYFFYDXBSLCA-UHFFFAOYSA-N 461.287 5.696 5 40 JKBB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409024047 SHXFPIFBWIUVTR-VCHYOVAHSA-N 477.336 5.381 5 40 JKBB O=c1c2cc(N3CCCCC3)ccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 2974108 RVIZGOBFQHKDOY-UHFFFAOYSA-N 486.597 5.636 5 40 JKBB C/C(=C\c1cc(/C=C(\C)OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])OC(=O)c1ccccc1 3844557 VNMOPYYZCZBUIK-HBKJEHTGSA-N 488.452 5.939 5 40 JKBB COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 9289053 RSPBVFAWBFJCEW-VXKWHMMOSA-N 489.919 5.230 5 40 JKBB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1c2ccccc2cc2ccccc12 12565289 GXQPYZUGIPUDBP-SSEXGKCCSA-N 455.513 7.255 5 40 JKBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 12621639 BJMCUGVHPKJZII-UHFFFAOYSA-N 494.813 5.201 5 40 JKBB CC1CCN(c2nn3c(=O)c4c(-c5ccc(C(C)(C)C)cc5)csc4nc3c3ccccc23)CC1 12624959 FUHXSOPWWTWCHQ-UHFFFAOYSA-N 482.653 6.658 5 40 JKBB COc1ccccc1[C@@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CCC(=O)N1c1ccc(C)cc1 12925846 YWMBFDMJCZFNFD-IQGLISFBSA-N 495.482 5.313 5 40 JKBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 39756153 ROSRXJSZWBOWIH-UHFFFAOYSA-N 479.905 5.271 5 40 JKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225100438 WKMLSPFDRWQCIS-VWLOTQADSA-N 497.661 5.393 5 40 JKBB Cc1cccc(NC(=O)COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)c1 408606489 ICHSQDFIHIAGKK-UHFFFAOYSA-N 470.323 5.295 5 40 JKBB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl 409112675 FYGIXYYEDXIUJY-UHFFFAOYSA-N 461.743 6.510 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409355719 KHQUGTJXEXITHL-VCHYOVAHSA-N 482.436 5.861 5 40 JKBB CCc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2319573 DQTUFSXEIZALRY-UHFFFAOYSA-N 490.350 5.794 5 40 JKBB CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccc(Cl)cc1 2766930 UZLPGUSEVCJPQG-UHFFFAOYSA-N 458.923 6.104 5 40 JKBB O=C(O)c1c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc2ccccc2c1-c1ccccc1 3953842 BCEZAFKVPCTVIX-UHFFFAOYSA-N 458.469 6.789 5 40 JKBB in-vitro Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] 8835682 CAHVCBJJJNHSRB-UHFFFAOYSA-N 474.498 5.029 5 40 JKBB CSc1ccc(C(=O)c2ccccc2C(=O)OCc2nnc(-c3cccs3)o2)cc1[N+](=O)[O-] 9254134 RVEWCPUZBOZBAI-UHFFFAOYSA-N 481.511 5.016 5 40 JKBB Cc1nc(Nc2cc(Cl)ccc2Cl)nc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] 9761149 VVNUDNNUJBSYBE-UHFFFAOYSA-N 459.120 6.794 5 40 JKBB Cc1nc2ccccc2c2c(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)c3ccccc3n12 13096935 AFTCEHAAARKGNR-UHFFFAOYSA-N 457.917 6.016 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)o1 13943322 QZYWXEBKACICMN-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2[C@@H]2CCCC[C@@H]2C)cc1 16044622 KCWISLVOINIEGB-HRAATJIYSA-N 466.563 5.588 5 40 JKBB Cc1cc2nc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2cc1C 16284209 MYRNMESGYYFCRP-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 22537503 BVPHRYRSRVWEPL-SDNWHVSQSA-N 455.518 5.632 5 40 JKBB COc1cc([N+](=O)[O-])ccc1Nc1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O 95471118 NABLXHLREHARKJ-UHFFFAOYSA-N 455.426 5.006 5 40 JKBB COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 252441434 VNLGKTVCIIXHRS-WSOYEBOPSA-N 460.917 5.245 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc34)cc2)n1-c1ccccc1 408572022 QKIZRXCFBQTKME-MHZLTWQESA-N 496.592 6.418 5 40 JKBB O=[N+]([O-])c1cccc(N[C@H](c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 1779658 AFCHCWAJMHQHSU-VWLOTQADSA-N 460.426 7.057 5 40 JKBB O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Oc1cccc(-c2cnc3ccccc3n2)c1 1822134 ATFPYZZZCXFFFK-UHFFFAOYSA-N 487.475 6.714 5 40 JKBB CCc1ccc(NC(=O)CSc2nc3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1 2969109 FVHHPVQVBDCZLR-UHFFFAOYSA-N 484.541 5.146 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc(/C=C/c3ccc4cccc(OCc5ccccc5Cl)c4n3)o2)cc1 8453118 SGCYVEQKFQTFGQ-NTCAYCPXSA-N 482.923 7.806 5 40 JKBB CC[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)C12CC3CC(CC(C3)C1)C2 8868048 DTAOUQILWHMKKA-YSRWDZFWSA-N 497.617 5.120 5 40 JKBB COc1cc2sc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)nc2cc1Cl 9226492 XVSWWQNDGQPKCO-UHFFFAOYSA-N 454.316 5.987 5 40 JKBB COc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c([N+](=O)[O-])c1 12540606 MAGNJICIIGTMDB-UHFFFAOYSA-N 497.916 5.329 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C 13511421 NTGOSEYRJZPDST-DWACAAAGSA-N 499.611 7.079 5 40 JKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(OC(F)F)cc5)nc34)c12 13643583 GILSNHFAJCBGTG-UHFFFAOYSA-N 451.380 5.483 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2c3c(nc4ccccc24)CCCC3)c2ccccc2)c([N+](=O)[O-])c1 15978774 WZZUUDKHLKNPNG-MHZLTWQESA-N 495.535 5.867 5 40 JKBB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20530689 SUFRUHZPIMYACD-UHFFFAOYSA-N 476.924 5.225 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1)N1CCc2ccccc21 44087348 WMMPUUSCYPPJBS-UHFFFAOYSA-N 490.972 5.782 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 224418510 CRLFMSXUHQVQOU-PKTZIBPZSA-N 460.490 5.566 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224448751 PWZJZUQEHYEZHG-ZEQRLZLVSA-N 490.516 5.575 5 40 JKBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 409372922 SISSFQLOJMWXMP-QUESLEJDSA-N 472.500 5.139 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccccc1OC 2313319 HDVJPYDMWGTJSE-UHFFFAOYSA-N 467.573 5.419 5 40 JKBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@H](C)CC)cc1 2405760 WWYJADGNMIMWIG-GOSISDBHSA-N 469.589 5.532 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccc3c(c1)OCO3)N1C(=N2)C(O)=Nc2ccccc21 3309879 KLOKIYCSXAGOLO-HSZRJFAPSA-N 494.467 5.059 5 40 JKBB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)c(C)c1 8384011 PWJBSRAEBIEYBI-CIAFOILYSA-N 478.482 5.186 5 40 JKBB Fc1ccccc1/C=C/c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccc3ccccc3c12 8763937 NBEWMNRMWMNSMG-KNTRCKAVSA-N 451.544 9.032 5 40 JKBB CC1(C)c2ccccc2N(Cc2ccccc2)[C@@]12C=Nc1c(ccc3cc4ccccc4cc13)O2 12321562 AIVCYTIEBTYOHM-JGCGQSQUSA-N 454.573 7.782 5 40 JKBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 12621629 MPMBXVXBIPMGEC-UHFFFAOYSA-N 494.813 5.201 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1 16214636 KFWMJJDSRCSEDD-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB Cc1ccc([P@@](/C=C2\N(C)c3ccccc3C2(C)C)(=Nc2cc([N+](=O)[O-])ccc2C)N(C)C)o1 96399328 JBFQPNFHSWSSTH-NVVJZFEISA-N 478.533 6.708 5 40 JKBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1nc3ccc([N+](=O)[O-])cc3n1[C@@H]1C(=O)[C@@H]3CC[C@]1(C)C3(C)C)C2=O 100928213 OIQAHDMGJUIHAG-PYXPWYTBSA-N 495.645 5.997 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564474 DDMNBCGEEMQPKF-DVKBMCPXSA-N 498.366 5.094 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)Oc2ccc(Cl)cc2Cl)o1 409004974 COCSQQUONYFYNQ-NSHDSACASA-N 483.333 5.464 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc3ccccc23)N1Cc1ccccc1 409123356 FUTORICUHDBMKJ-WJOKGBTCSA-N 499.570 7.109 5 40 JKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)C1 409337908 ZGGNTXOAUCGYSL-RBSBEOHCSA-N 492.652 6.477 5 40 JKBB CCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccccc1-2 2059785 FJQUJEWTESLYQV-QFIPXVFZSA-N 475.530 6.102 5 40 JKBB Cc1cc(NSc2ccccc2[N+](=O)[O-])n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2n1 3203819 RMBMDSCIAVGKBW-UHFFFAOYSA-N 468.520 5.433 5 40 JKBB CCc1cc2c(COC(=O)c3ccc(Sc4nc(C)cs4)c([N+](=O)[O-])c3)cc(=O)oc2cc1O 13102672 KAQWZPACTXNDNY-UHFFFAOYSA-N 498.538 5.242 5 40 JKBB O=C(Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)c1cc([N+](=O)[O-])ccc1Cl 13131442 JXTRMSHPPBGIQZ-UHFFFAOYSA-N 471.856 5.454 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cccc(COc4ccc(Cl)cc4)c3)nc12 13643550 AOKNHTXGGVLVHV-UHFFFAOYSA-N 471.973 6.403 5 40 JKBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1CCc1c2ccccc2nc2ccccc12 19908329 BBINWDOAYVTYBQ-UHFFFAOYSA-N 458.558 5.214 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5cc(C)c(C)cc5o4)ccc3C)o2)c([N+](=O)[O-])c1 21578778 IPTGHVHBCKPELS-UHFFFAOYSA-N 481.508 7.149 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 22741491 AAPYUJZHUCAIEW-UHFFFAOYSA-N 484.343 6.230 5 40 JKBB c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2c2c4ccccc4c4ccccc4c32)cc1 44075506 UNHRFJSSMJBBLW-UHFFFAOYSA-N 495.625 10.922 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)c1 408571907 PVERCBBXMOHRLZ-DEOSSOPVSA-N 460.559 5.573 5 40 JKBB O=C(O)c1cccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 408754986 AYLUPPPEGAQNHQ-UHFFFAOYSA-N 487.855 5.644 5 40 JKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 409338939 CIQCSQJZGDMHCS-LPYMAVHISA-N 491.525 5.653 5 40 JKBB CCOC(=O)c1c(C)n(Cc2ccccc2)c2c3nc(N)nnc3c3ccc(Br)cc3c12 4473379 FKXMGIOJULRDFS-UHFFFAOYSA-N 490.361 5.011 5 40 JKBB CC[N+]1(C)CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 5940146 ATTLRCVUJOHHKI-USJJPJATSA-N 462.224 5.857 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(-c3onc(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1 8994289 GBFSVPWBORNWGG-UHFFFAOYSA-N 456.376 6.220 5 40 JKBB biogenic COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]3c2ccc(OC)cc2)cc1 12560057 UFCFKLZZPZKKNA-GQDIXHABSA-N 487.512 5.642 5 40 JKBB O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 13375912 GGRLOPSOAOKDFD-NRFANRHFSA-N 450.292 5.349 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 22741495 FIUAPGMNLXURAU-UHFFFAOYSA-N 484.343 6.230 5 40 JKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 408566105 DWLZWZUCDBHTAW-GOSISDBHSA-N 453.351 5.391 5 40 JKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)O)n[nH]1 408632879 UPHKBACSZIVYJT-UCQKPKSFSA-N 487.968 6.658 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)o1 408633228 JDPJQCCPIQFXIR-ODLFYWEKSA-N 498.904 5.520 5 40 JKBB CCc1ccccc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409116727 KCUJZNFZYNYFNM-UHFFFAOYSA-N 471.351 6.119 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 409332478 FTECICAKKMGCQL-IAGOWNOFSA-N 483.571 5.185 5 40 JKBB CCn1c2ccccc2c2cc(-n3cc(OC(C)=O)c4c3nc(C)n3c5ccccc5nc43)ccc21 2423347 ILKKINQHYMSNFB-UHFFFAOYSA-N 473.536 6.188 5 40 JKBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 6150651 TTZKDXCVQWFUKB-UHFFFAOYSA-N 452.345 5.555 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C 8833091 YAROVTGERGJLMJ-UXBLZVDNSA-N 490.368 6.305 5 40 JKBB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 12623587 RZXOVBHATZMYAZ-UHFFFAOYSA-N 456.907 5.336 5 40 JKBB Cc1cc(C(=O)COC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1CCCO1 25398405 BNWDGMOJRAVAFW-FQEVSTJZSA-N 494.569 5.383 5 40 JKBB Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32111976 XRISOOHRKLMHAT-YRNVUSSQSA-N 475.888 6.207 5 40 JKBB O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 408931935 SICVOBZLABPJBB-YVLHZVERSA-N 458.257 5.255 5 40 JKBB COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c([N+](=O)[O-])c1 409182610 NDPNIOLLWMXZJK-MHZLTWQESA-N 490.512 5.106 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccccc1 409225923 SXVOIZFANWEWRO-QFEZKATASA-N 497.532 5.517 5 40 JKBB S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2sc3nc4ccccc4nc3c2c1 409337240 RXSBTZFCDZDHEQ-UHFFFAOYSA-N 471.611 5.643 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc2c(c1)OCCO2 1102741 YFWHRKPLFCWVAW-MFKUBSTISA-N 496.544 5.439 5 40 JKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(-c2cc3ccccc3oc2=O)c1 2400901 ZDXFAWQXTOAOTE-UHFFFAOYSA-N 469.478 5.744 5 40 JKBB CCOC(=O)c1[nH]c(COC(=O)c2c3ccccc3cc3ccccc23)c(C(=O)OCC)c1C 3300789 CEHNYIUOWFYNDP-UHFFFAOYSA-N 459.498 5.340 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)cc2)cc1 8871114 UMAADYIGWWJCQZ-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 8892439 QZHNVKKLGLSTTF-UHFFFAOYSA-N 470.451 5.193 5 40 JKBB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 9344991 JUNHIBNWBCGQAK-ISKFKSNPSA-N 478.346 6.216 5 40 JKBB CCc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1 12311404 AFDABLMNLUTDTD-UHFFFAOYSA-N 462.531 5.236 5 40 JKBB O=[N+]([O-])c1cccc2nc(/C=C/c3cn(-c4ccccc4)nc3-c3cccc(Cl)c3)ccc12 12549261 ILFGLVBPUVBYFX-OUKQBFOZSA-N 452.901 6.820 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3n2)cc1 16162111 JIXKRIJJLLANEL-UHFFFAOYSA-N 498.587 5.688 5 40 JKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1c(F)cccc1Cl 106740198 OFZKWIFZQAGKJL-GRSHGNNSSA-N 485.880 5.811 5 40 JKBB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225353950 KNTMNHXMWBSXQS-VWLOTQADSA-N 497.661 5.127 5 40 JKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O)o2)c1 408634907 XWRWVQHZMPQJHF-NDENLUEZSA-N 495.469 5.140 5 40 JKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1c2ccccc2cc2ccccc12 408838227 CWMHSHSYHLFCLE-FYJGNVAPSA-N 474.368 7.859 5 40 JKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408993562 WFSWKCYNDPFYNG-ZPTXYVIGSA-N 470.525 6.169 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl 409053822 QKVGUZOEWPBAOX-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1 409108528 WNGOCEMHLDCBIQ-UHFFFAOYSA-N 452.923 5.797 5 40 JKBB O=C(Nc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 1782992 RQNIHTBNGJETSV-UHFFFAOYSA-N 475.244 5.314 5 40 JKBB C[C@H](Sc1nnc(C2CCCCC2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177160 UCAVKFJTLNAAKP-HNNXBMFYSA-N 485.997 5.996 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)c(C)c1 8832216 CFKRQBXFSBTKHK-UHFFFAOYSA-N 472.549 5.352 5 40 JKBB Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 9984150 MHJUDKOIFIUJOL-UHFFFAOYSA-N 459.959 5.072 5 40 JKBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])C1 13525325 AHKFDJHLDZNGGD-ZIAGYGMSSA-N 465.333 5.424 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc45)C3=O)o2)cc1[N+](=O)[O-] 14132363 NJJDUGUUBQADOL-ZVHZXABRSA-N 470.506 6.553 5 40 JKBB Cc1nn(CCCn2c(SCc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c(C)c1Cl 22741363 QKADQNLYXHKYQJ-UHFFFAOYSA-N 483.981 5.154 5 40 JKBB COc1ccc2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(O)nn4C3CCCC3)c(=O)[nH]c2c1 95479341 ORPPVCHBOHEYRE-UHFFFAOYSA-N 482.496 5.374 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 138677405 IICAVMFXQVATMD-DHJUGAMNSA-N 482.533 5.008 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O[C@@H](C)CC 215010142 NJECNARPVLGTHV-PCXKXAPESA-N 456.520 5.407 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634785 UOGMCOIHJCZQJE-WQRHYEAKSA-N 468.878 5.511 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Br)c1 409051545 DYCBZQOVZRJUHD-UHFFFAOYSA-N 498.333 6.539 5 40 JKBB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 8722230 PNUOHZZYYZHDBV-OTGIAGGSSA-N 476.938 5.671 5 40 JKBB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8902752 GYNSDYFHZRRRBP-UHFFFAOYSA-N 491.529 5.292 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 9729203 VRJFTUAMQCAFPR-KRWDZBQOSA-N 471.951 5.567 5 40 JKBB Cc1[nH]c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc1Cc1ccccc1 12692950 TUFDPCLPHWEFTE-UHFFFAOYSA-N 465.560 5.071 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1[N+](=O)[O-] 13389074 OPUIDKILAPUACF-ZKBLBJRCSA-N 462.505 5.327 5 40 JKBB Cc1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])cc1C 13939912 XJUPGOPQFSBWJU-OPQYHKBDSA-N 476.532 5.635 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 14274577 WVMMWYVMWFNKKL-XBXARRHUSA-N 496.759 6.341 5 40 JKBB CC(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 20550258 PCXHILDFDRITMU-XMMPIXPASA-N 464.363 6.836 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cc2ccccc2o1 32114786 MUKRRYXYLYTFCS-UHFFFAOYSA-N 474.498 5.029 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O 106719606 ZJSTXSPSVNOXQT-NDENLUEZSA-N 450.472 5.089 5 40 JKBB CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC 408566369 FLZHQZSUXRAFDW-HXUWFJFHSA-N 462.959 5.137 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1866414 NUHJRVGMPLBRRW-SANMLTNESA-N 498.447 6.076 5 40 JKBB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2432778 SKFWZWMMORKVIR-UHFFFAOYSA-N 474.904 5.330 5 40 JKBB O=C(O)c1cc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc2ccc(Br)cc12 8763515 UWZGDKAZZOIKST-DUXPYHPUSA-N 499.704 6.688 5 40 JKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 8871102 LIWGGYRTBXNKSP-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB O=[N+]([O-])c1cccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@H](c3ccc(F)cc3)C2)c1 12428879 SZERLKBGFVXMRY-QHCPKHFHSA-N 462.481 6.352 5 40 JKBB C[C@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12696514 KZQSVRBKQYMIDW-INIZCTEOSA-N 476.562 6.127 5 40 JKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 16611481 WMMXFSVJARKOOK-XLHSGLJYSA-N 492.531 5.310 5 40 JKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 223320832 QXHJMBPTBVCNBY-WXVAWEFUSA-N 487.600 5.001 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224409785 NWJABVQZOFLTJB-XZOQPEGZSA-N 459.506 5.097 5 40 JKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCC)c(Cl)c2)cc1 408569845 JYLSZANLHRSYAZ-IBGZPJMESA-N 497.404 5.790 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 409270674 IFJBCTZNFAFIGW-SRZZPIQSSA-N 498.900 5.436 5 40 JKBB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 888309 VHCSKOQVUZPPCV-KRWDZBQOSA-N 459.531 5.270 5 40 JKBB CC(C)(C)c1ccc(C(=O)Oc2ccc3c(-c4ccccc4C(=O)O)c4ccc(=O)cc-4oc3c2)cc1 8452172 YLRZMLROKXUZIU-UHFFFAOYSA-N 492.527 6.780 5 40 JKBB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1 9258954 SGQSMAWDXIKCJD-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21 11691959 VDQONVRXUOIJKS-UHFFFAOYSA-N 495.970 5.361 5 40 JKBB CCCCCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 12648359 CNRUWMKXVOACHH-UHFFFAOYSA-N 473.986 5.818 5 40 JKBB O=[N+]([O-])c1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Sc1ccc(Cl)cc1 12959986 IBBGVXLQHMZJCQ-UHFFFAOYSA-N 453.995 5.717 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)o1 20151060 AKVWSWBEXAQXFE-IZZDOVSWSA-N 478.888 6.221 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 214915851 AAJKIXDSDHUCAH-UDWIEESQSA-N 498.358 5.444 5 40 JKBB COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 408565095 BEFUNBRXZJKWJY-KRWDZBQOSA-N 483.775 5.110 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408604011 CQIMQFPABDWSOS-UHFFFAOYSA-N 467.736 6.755 5 40 JKBB CCOc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1 409089382 ICYQHQXOXGFVTP-UHFFFAOYSA-N 489.531 7.128 5 40 JKBB CCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21 409112874 CKTVHOMSGZVHLO-BKUYFWCQSA-N 478.932 6.133 5 40 JKBB CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)[N@]23)cc1 2049251859 KGEYAYVLHDNGOM-OSSDZZHWSA-N 457.530 5.593 5 40 JKBB Cn1ccnc1Sc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1[N+](=O)[O-] 3346043 RJDPPJGGRBDTOX-QFIPXVFZSA-N 475.505 5.390 5 40 JKBB Cc1cc(C)c(NC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1 8450923 RYBXJZGLIFTSSQ-UHFFFAOYSA-N 456.527 5.554 5 40 JKBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccc(Br)cc1)n1c3ccccc3nc21 9128854 QORBUMRTVXMTJH-UHFFFAOYSA-N 455.315 5.317 5 40 JKBB O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 9235150 LYHAZDZQHAJYIW-OAQYLSRUSA-N 450.292 5.349 5 40 JKBB Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2ccccc2[N+](=O)[O-])nn1 9578096 YLJJNARWXILXGN-UHFFFAOYSA-N 469.573 5.276 5 40 JKBB O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 9632053 CTUAWYUMFAPLIA-UHFFFAOYSA-N 497.939 5.425 5 40 JKBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10041478 WTZRWOGIZDMOMH-UHFFFAOYSA-N 496.519 5.379 5 40 JKBB C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)c1ccccc1 13075056 FSMKIBCHMWGACU-OAHLLOKOSA-N 450.495 5.042 5 40 JKBB COc1cc([C@H]2c3c(oc4ccc5ccccc5c4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC 13555228 OSXSQLAEJIUFPC-DEOSSOPVSA-N 498.491 5.018 5 40 JKBB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] 32115400 INBSGRZODQSNAW-UHFFFAOYSA-N 459.792 5.596 5 40 JKBB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 32115493 DUVBMVXKURRFTI-UHFFFAOYSA-N 464.211 6.240 5 40 JKBB CCCCc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Br)sc2c1 32119191 WCKRGTSTZVXOKI-UHFFFAOYSA-N 493.408 5.436 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223841549 DWKUNRHONIEVBR-RPBOFIJWSA-N 486.553 5.826 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223908330 MSNCLIWOUGEEPQ-DQEYMECFSA-N 484.585 5.024 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 408791050 VHOMFMBDZDTMRJ-LMSRTUJASA-N 491.569 5.344 5 40 JKBB CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409200127 QLJRNMZEVDUKPX-UHFFFAOYSA-N 475.314 6.086 5 40 JKBB Cc1ccccc1-n1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc2ccccc2c1=O 3326521 HEJGBTTXHIMSIN-UHFFFAOYSA-N 457.433 5.772 5 40 JKBB O=C(COc1ccccc1)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8767452 MATMYRNGBOBTKO-UHFFFAOYSA-N 461.257 5.138 5 40 JKBB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 8898483 GLJHKYPMWNIGDM-SFHVURJKSA-N 481.622 5.091 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)Cc4ccccc4)cc3)cc2[N+](=O)[O-])CC1 13608736 KGINIXDZVAVVIQ-UHFFFAOYSA-N 472.545 5.265 5 40 JKBB Cc1ccc(OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 14357710 PCFJBUIZKWKXOX-XMMPIXPASA-N 466.497 5.208 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 16611261 HBWWQHSXMWYJCJ-OAHLLOKOSA-N 474.542 6.043 5 40 JKBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20611569 YNTSVWKXCXWWDF-UHFFFAOYSA-N 496.770 5.314 5 40 JKBB Cc1c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cccc1-c1nc2ncccc2o1 21595863 TWDMIRGEFOZPCL-UHFFFAOYSA-N 464.890 6.227 5 40 JKBB Cc1ccc(-c2ccc(C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)cc1[N+](=O)[O-] 226363363 KEJZKAFPOHZAGE-UHFFFAOYSA-N 462.914 7.260 5 40 JKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc2ccccc2c1 408604407 ISRRPJFMDGVFGA-XYOKQWHBSA-N 459.458 5.241 5 40 JKBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c1C 408696126 WNONPMZHPQZTSR-UHFFFAOYSA-N 492.333 5.474 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1[N+](=O)[O-] 408910287 JKWAYAMMZSMJKS-UHFFFAOYSA-N 461.499 5.110 5 40 JKBB CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1568010 KOFUYPCMQKBHGG-DEOSSOPVSA-N 486.405 8.254 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-] 8835264 PUEVYHQKQXFOCR-UHFFFAOYSA-N 492.582 5.705 5 40 JKBB O=C(Oc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12)c1ccc(Cl)cc1 9232791 BYEDKSGYIOPYFD-UHFFFAOYSA-N 467.864 5.814 5 40 JKBB COc1ccc(-c2nc(-c3c(C)nc4sccn34)sc2C(=O)c2ccccc2F)cc1[N+](=O)[O-] 9491888 PQZSXXBVJRBYIF-UHFFFAOYSA-N 494.529 5.782 5 40 JKBB O=S(=O)(Oc1c2ccc3cccnc3c2c(O)c2ccc3cccnc3c12)c1ccccc1 16491548 CAYNUHMGQZWJKW-UHFFFAOYSA-N 452.491 5.563 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1[C@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 17108333 ZDHLPGACZRGMKP-RUZDIDTESA-N 485.521 6.637 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 22741487 ZARZDRFHFPFTHX-UHFFFAOYSA-N 484.343 6.230 5 40 JKBB C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] 33413222 QDQWZUNCJKZKOV-RMKNXTFCSA-N 475.520 5.722 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 214458953 CVTOGORFXJDCBQ-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225588216 RCRKJJIJMDNVNW-VGOFRKELSA-N 492.041 5.204 5 40 JKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1 408689430 YDJDHPRCBWLHEI-QFIPXVFZSA-N 478.353 5.998 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCOc1ccc(F)cc1 409051073 IEYCWNUNLNGXQB-MOSHPQCFSA-N 454.435 5.109 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 409052335 JPLBCDGWPTZUHG-UCQKPKSFSA-N 460.511 5.719 5 40 JKBB COc1ccc(/C=C\c2cc(/C=C\c3ccc(OC)c(O)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O 5080552 DDOVAKHEWGAJHA-VHOZIDCHSA-N 464.430 5.272 5 40 JKBB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6245593 LMBSLCQOBCTYTQ-GOSISDBHSA-N 489.557 5.182 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C 6471884 XPDXDRYYPOAONP-SKCUWOTOSA-N 499.611 7.079 5 40 JKBB COc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 8832013 FTLFPGZCEWIBCH-UHFFFAOYSA-N 458.474 5.264 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1cccc(C)c1 8990015 CQGZPXNXPOBWRM-MTJSOVHGSA-N 492.915 5.879 5 40 JKBB Cc1c(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cccc1[N+](=O)[O-] 9368360 UWYRDTBYESAWLQ-UHFFFAOYSA-N 454.455 5.318 5 40 JKBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])C1 13117983 URIBUXMQYPNKGP-QGZVFWFLSA-N 455.518 5.627 5 40 JKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 14277893 IYRQWMJCPXXXAV-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 16042573 LKSPQLCXKHNFNY-XMMPIXPASA-N 489.524 5.120 5 40 JKBB biogenic Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 16347591 XBBJUVUMOSKHPQ-UHFFFAOYSA-N 470.529 6.200 5 40 JKBB Cc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(C)c(C)c3)c2Br)cc1C 22716835 NEUQWZYOYLGSGM-UHFFFAOYSA-N 480.366 5.824 5 40 JKBB NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cccc([N+](=O)[O-])c1 33523068 KPNFQSIZUUETDY-UHFFFAOYSA-N 468.441 5.160 5 40 JKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(Cl)cc1Cl 214424032 QXBKOEOYBNSLQJ-YDZHTSKRSA-N 464.373 7.536 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]12 408919638 ZLVBFZBJBQIABB-IOXNAGQWSA-N 452.510 5.172 5 40 JKBB CCOc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409117103 QDXFEIDAOMCRLB-UHFFFAOYSA-N 485.378 6.564 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 409139986 CHSVKEVFUKTEOX-HHHXNRCGSA-N 483.955 6.610 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)c1ccc(Cl)cc1 409355690 DIAOAUYGYJTBOH-JAIQZWGSSA-N 495.900 5.355 5 40 JKBB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])s1 3187598 AUQBGISEYYQCDS-UHFFFAOYSA-N 465.712 5.556 5 40 JKBB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 3356512 AWDUBZFUMXAZFD-UHFFFAOYSA-N 485.968 6.781 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8872048 WPMXYBFDGMHZNF-UHFFFAOYSA-N 474.454 5.110 5 40 JKBB CCCCC(=O)Oc1cn(Cc2ccc(F)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9242937 PKBNTCUALFSNJV-UHFFFAOYSA-N 472.564 6.463 5 40 JKBB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 12678548 SQKTYSHUUMXKCM-HSZRJFAPSA-N 453.926 5.459 5 40 JKBB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1[N+](=O)[O-] 13137267 CNUDJODZWMFVBF-UHFFFAOYSA-N 452.442 5.214 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 57312987 NJBDUZBUDXEIND-FYWRMAATSA-N 478.460 6.280 5 40 JKBB O=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1 100484369 VIEKUDIJUOYQGJ-SCIXCNGFSA-N 452.554 6.637 5 40 JKBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 224588913 IRWYYUFEHGJYJV-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])c3c[nH]c4ccccc34)cc2Br)cc1 408569099 IUUQXBRTCJFZMT-OAQYLSRUSA-N 465.347 6.226 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccccc1 408571006 MSCHETYUZNNNCF-QHCPKHFHSA-N 491.529 5.173 5 40 JKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 408618692 DZRMQWQFRUECQD-HKDRDPIHSA-N 482.923 5.672 5 40 JKBB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409267764 XMRWZYPFUOKQPB-UHFFFAOYSA-N 494.485 5.560 5 40 JKBB COc1cc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc3n2)cc(OC)c1OC 3210653 MPJNZJXETDPZNO-UHFFFAOYSA-N 493.903 5.742 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc3c(s2)CCCC3)c2ccccc2)c([N+](=O)[O-])c1 12635075 OMVLHNSVESLTMW-QFIPXVFZSA-N 450.516 5.380 5 40 JKBB O=C(Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1)c1cc2ccccc2o1 57314122 XTDUUJBYORALBM-UHFFFAOYSA-N 491.912 6.714 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224377982 DLCMXWGCJHAYBT-IZZNHLLZSA-N 483.597 6.081 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 408573192 MTFRLYRNQDMCSL-SDNWHVSQSA-N 486.572 5.207 5 40 JKBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 408728607 PQNREIMMAYKYKB-YXVKNGOVSA-N 462.505 5.327 5 40 JKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409376791 BEGMEGZNUIANOG-NRFANRHFSA-N 485.949 5.595 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCN1c2ccccc2Sc2ccccc21 3221054 RBOPBEUJOQYDFL-MRXNPFEDSA-N 493.541 5.167 5 40 JKBB CC(C)(C)c1ccc(C[C@@H]2CCC[N+](Cc3ccccc3)(Cc3ccc(Br)cc3)C2)cc1 4105061 MNKTXOHGJJAZFB-BSXJZHEVSA-N 491.537 7.916 5 40 JKBB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c2)N3)C1 8874894 GIERNEQTXVUWNK-LAJNKCICSA-N 480.502 5.336 5 40 JKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 12705748 IJQGXGZACRHBLF-UHFFFAOYSA-N 496.957 6.220 5 40 JKBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1 15791014 DQCHLRCBKPRBGJ-UHFFFAOYSA-N 471.307 5.506 5 40 JKBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccccc1Cl 16228274 ZKSTYNUIHMRGSZ-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB c1ccc(C[C@@H]2C[N+]3(CCCCCC[N+]45CCC(CC4)[C@@H](Cc4ccccc4)C5)CCC2CC3)cc1 33903681 MFWSEHOWMZMWKU-HJJMTVGGSA-N 486.788 6.745 5 40 JKBB in-vitro O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1Cc1cccc(F)c1 40398716 TYWQDVQFOIDLRT-UHFFFAOYSA-N 466.299 5.195 5 40 JKBB O=C(Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-])c1ccc(Cl)cc1Cl 107982680 OMSAFQJBFYAMIA-ONEGZZNKSA-N 495.938 5.985 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224443064 JJUVPWRYAYPPTO-XZOQPEGZSA-N 459.506 5.097 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408906913 KLMIVLYLBFSEET-UHFFFAOYSA-N 481.917 5.455 5 40 JKBB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2C1 3336871 LXFQGOLXOCQNMC-OAQYLSRUSA-N 491.587 7.002 5 40 JKBB Cc1cc(Oc2cc(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl 3408578 RSOYMDZGHDKUGK-UHFFFAOYSA-N 472.246 8.122 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 8832309 SITGPTRCPRYJQZ-UHFFFAOYSA-N 451.910 6.050 5 40 JKBB CCOc1cc(-c2cc(-c3ccccc3O)nc3ccc4ccccc4c23)cc(Br)c1O 8856510 IFVJKAUFJUWSCN-UHFFFAOYSA-N 486.365 7.294 5 40 JKBB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc([N+](=O)[O-])cc1 9089766 YSBCTPLDNABVNF-UHFFFAOYSA-N 452.879 5.183 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 10060368 XSBOXBSDUWJRTP-FGZHOGPDSA-N 459.893 5.221 5 40 JKBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCc1ccc(Cl)cc1Cl 12653764 QAWXPOITHNTLME-YCRREMRBSA-N 487.364 7.269 5 40 JKBB CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nc2scc(-c3ccccc3)c2c1=O 13068229 OQKCPKSUAZCDKV-UHFFFAOYSA-N 496.613 6.697 5 40 JKBB COc1ccccc1-n1c(SCC(=O)NCc2ccccc2Cl)nc2cc([N+](=O)[O-])ccc21 13068338 POWMPGUQZKLDDT-UHFFFAOYSA-N 482.949 5.004 5 40 JKBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 20610060 VBTQWBCTRPZOOG-UHFFFAOYSA-N 469.457 5.158 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 35851852 QEKIEKMHKQUNFP-CDILPITASA-N 499.592 5.030 5 40 JKBB Cc1ccc(-c2noc(-c3c(NC(=O)COc4ccccc4[N+](=O)[O-])sc(C)c3C)n2)cc1 41000817 PMYKHXAAGRGRLV-UHFFFAOYSA-N 464.503 5.316 5 40 JKBB c1cc2c3c(cccc3c1)-c1c-2cc2ccc3c4c(cc5ccc1c2c53)-c1cccc2cccc-4c12 90751166 RDSBINQKWNJFOM-UHFFFAOYSA-N 450.540 10.185 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1[N+](=O)[O-] 214996331 MPHWAABKEJVFKG-RGVLZGJSSA-N 465.443 5.308 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br 215061035 ILQWCWIWWYXNNT-UDWIEESQSA-N 498.358 5.444 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1 408570892 MFBAXBVGPGHQMX-XMMPIXPASA-N 494.548 5.413 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409009547 GCSNXBNOCVNEAA-MQMKENTISA-N 490.965 6.061 5 40 JKBB CN1/C(=C/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])C(C)(C)c2ccccc21 1082889413 WDDYOCAZEYUHQE-BUGDWOBSSA-N 484.468 6.135 5 40 JKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@H](c4ccc(F)cc4)N23)c1 1901850 UCJDCPFPARBTIR-VWLOTQADSA-N 455.514 6.550 5 40 JKBB CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc1c(N[C@H](C)CCCN(CC)CC)ccnc12 4428709 AIVNBTKNMKJHQV-DNQXCXABSA-N 492.756 6.628 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)sc2c1 8831852 KNZLOOZXDPIMIN-UHFFFAOYSA-N 458.543 6.032 5 40 JKBB Cc1ccc2oc3cc(NCCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9089679 NDFFFHOTAMRCLE-UHFFFAOYSA-N 453.542 5.147 5 40 JKBB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9790222 ODMNGIUIXNDVQN-GFCCVEGCSA-N 454.537 5.077 5 40 JKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 101361220 FYWHNTCSEIOXEN-UHFFFAOYSA-N 471.321 6.396 5 40 JKBB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)O[C@@H](C)C(=O)Nc5ccccc5[N+](=O)[O-])(C4)C2)C3)cc1C 101557524 ZXSCVVNSLZJURZ-HQSAURCZSA-N 476.573 5.620 5 40 JKBB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 408561739 KSDLFWLIFCLBCC-NMWGTECJSA-N 470.765 6.154 5 40 JKBB Nn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1cc(Cl)cc(Cl)c1 2570557 KTGRBZFRUDOHJQ-UHFFFAOYSA-N 450.229 5.044 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1[N+](=O)[O-] 4119668 JVICSJNPQPFASX-UHFFFAOYSA-N 496.511 5.129 5 40 JKBB O=C(Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1)c1cccs1 9252454 OMYAFPFVUSYUBJ-UHFFFAOYSA-N 457.920 6.029 5 40 JKBB CC(C)CC(=O)Oc1cn(Cc2ccc(Cl)cc2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9446246 LQYMHDVKUZDEOV-UHFFFAOYSA-N 489.019 6.689 5 40 JKBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1 15906012 VEUAXRPUKZBLMR-DHLKQENFSA-N 494.509 5.601 5 40 JKBB Cc1cccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)c1 22257264 QKULPXGZQCMQEB-UHFFFAOYSA-N 464.522 5.002 5 40 JKBB O=[N+]([O-])c1cnn(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)c1 22713486 IVFXLQJMALCRIG-UHFFFAOYSA-N 477.374 5.030 5 40 JKBB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 32741550 CXOIPRISWQHLIB-UHFFFAOYSA-N 498.278 5.540 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C 106739518 GQXPNHNQZWMOPU-MTJSOVHGSA-N 456.520 5.265 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1 408567069 GGQKWOIUEGGFCR-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409181645 DMUIDUYAYZQDAV-SANMLTNESA-N 498.447 6.076 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2C1=O 409182038 HTENPPZXCJVFGK-UHFFFAOYSA-N 492.487 5.650 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 409320433 AWONMXURACKJRB-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB Cc1ccc(S(=O)(=O)C(CCC(=O)c2ccccc2)(CCC(=O)c2ccccc2)[N+](=O)[O-])cc1 1582527 VCXHLSGWHVDFML-UHFFFAOYSA-N 479.554 5.068 5 40 JKBB COc1ccc([C@H]2C3=C(N=C4SC=C(c5cccc([N+](=O)[O-])c5)N42)c2ccccc2CC3)cc1 1868315 ALXULZKESLQIBQ-SANMLTNESA-N 467.550 6.419 5 40 JKBB CC[C@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\N=C(c3ccccc3)OC2=O)cc1 2180144 JBUVWEPPEYAVSP-ZVSYKFGMSA-N 486.524 5.911 5 40 JKBB O=C(Oc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2774753 WAXHSLPLTWNASD-UHFFFAOYSA-N 492.447 5.999 5 40 JKBB Cc1cc(C)cc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c1 3311067 VSUCBRHMCRXCRI-UHFFFAOYSA-N 465.517 6.136 5 40 JKBB O=C(CSc1nc2ccc(Br)cc2c2nc3ccccc3n12)NCc1ccccc1 9473229 MZAFDZREWSKHOH-UHFFFAOYSA-N 477.387 5.207 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 10059816 JOMQRDYDSJCWSE-FGZHOGPDSA-N 459.893 5.221 5 40 JKBB Cc1cc(C(=O)OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] 12602288 ZDILPCADKVGTEN-MHZLTWQESA-N 493.519 5.591 5 40 JKBB COc1cccc2c1O[C@@]1(C)C[C@H]2N(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)N1c1ccccc1 100033609 OWAIDRLLAGMUNP-NLFFAJNJSA-N 475.526 5.091 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F 224916975 ZLTASYFHRDQFNC-BJKOFHAPSA-N 474.517 5.874 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1 408576564 XSFCMFRNQKOMGP-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408632365 DZOAEILAARMNAS-WQRHYEAKSA-N 469.862 5.776 5 40 JKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 408800427 PGFVUCACMJDBQY-UHFFFAOYSA-N 456.887 5.280 5 40 JKBB O=C1N/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 408932364 WETBNMDHRDKKLA-IDUWFGFVSA-N 492.702 5.908 5 40 JKBB Cc1ccc(-c2nn(CC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(=S)o2)cc1 409150986 FTOOQWSHJUZJIY-UHFFFAOYSA-N 467.532 5.160 5 40 JKBB O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409173040 KWDJIRGRAUDVGI-UHFFFAOYSA-N 465.527 5.695 5 40 JKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1ccc(F)cc1 8742068 RIWJUWLDUBXNCU-UHFFFAOYSA-N 478.217 5.383 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2oc3c(ccc4ccccc43)c2C)c2ccccc2)c([N+](=O)[O-])c1 12542152 ABTVJSOHYNHRDA-SANMLTNESA-N 494.503 6.648 5 40 JKBB COc1ccccc1N(Cc1cc(-c2ccccc2)on1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 21585295 FAGICXQMULSAAR-UHFFFAOYSA-N 499.932 5.307 5 40 JKBB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 27520291 APSVHULWVQWPML-UHFFFAOYSA-N 469.457 5.240 5 40 JKBB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32127537 LJBSWIULUXCJLE-UHFFFAOYSA-N 475.460 7.069 5 40 JKBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc1)=NCC2 33683414 PEVJQNYLUQXGQH-UHFFFAOYSA-N 474.517 5.152 5 40 JKBB O=C(c1ccccc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 33716135 XBOBHRFVHCOBMV-GGPYAICQSA-N 482.496 5.940 5 40 JKBB Cc1c(O)ccc2c1oc1c(-c3ccc[nH]c3=O)c3c(=O)[nH]n(C4CCCCCCC4)c3nc12 79488928 UAKUERIIDORTFE-UHFFFAOYSA-N 458.518 5.279 5 40 JKBB CC1(C)[C@@]2(c3ccccc3)[C@H]3C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)[C@@H]3[C@]12c1ccccc1 104280619 TTYZBJSFCZZGFK-JXYBDUPSSA-N 484.508 5.594 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(F)cc1 408564985 AWJVEMSRKYAYPM-QHCPKHFHSA-N 464.522 5.404 5 40 JKBB CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633316 JVOAACDQCQOGFR-MOSHPQCFSA-N 496.932 6.004 5 40 JKBB Cc1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408736588 DAEFAPKAJNUXOG-MHZLTWQESA-N 493.563 5.401 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917241 PQEFKLCKHFTLCP-LPYMAVHISA-N 480.929 6.064 5 40 JKBB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 409183751 UOIJCJMQIJJDDB-HHHXNRCGSA-N 483.955 6.922 5 40 JKBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc(Cl)cc1Cl 409347834 NAWCVDJJDVFNKG-YWEYNIOJSA-N 478.288 5.251 5 40 JKBB COc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OCc1cccc(C)c1 2084236 AVIBEWPUZDMWPH-RGVLZGJSSA-N 478.888 5.489 5 40 JKBB COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2342661 WITLXZBADUSDOV-OAQYLSRUSA-N 485.477 5.069 5 40 JKBB O=[N+]([O-])c1ccc(Oc2c(Br)cc(Br)cc2Br)c(Cl)c1 4181875 ALIKDXUCUVAHFE-UHFFFAOYSA-N 486.341 6.328 5 40 JKBB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 4642467 XBYJJBIYIWIJPN-UHFFFAOYSA-N 469.910 5.044 5 40 JKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 8591155 PMNJFXXSSAPAKT-UHFFFAOYSA-N 486.528 5.900 5 40 JKBB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060345 GORCOXUIUCBZQZ-GOTSBHOMSA-N 489.919 5.230 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 10119755 ILDMRSMRNGLBGP-UHFFFAOYSA-N 480.318 6.289 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4c5ccccc5cc5ccccc45)[C@@H]3C2=O)cc1 101101595 JPCDTXWJEMQXSW-JBOQNHBVSA-N 484.555 6.353 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 138677157 IICAVMFXQVATMD-HCLVMJGWSA-N 482.533 5.008 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(F)cc1 214215853 CIZUOJFDWZEBMX-LPYMAVHISA-N 464.474 5.549 5 40 JKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223833124 ZNXIFLSHPMDYAI-LOSJGSFVSA-N 486.553 5.826 5 40 JKBB Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 409099205 KBVPAEHQUTXRDM-UHFFFAOYSA-N 457.437 5.716 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409341501 DYNCFPXHRZCILK-RGVLZGJSSA-N 454.891 6.366 5 40 JKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1[N+](=O)[O-] 677003 WDEJJGLHWXRFGU-UHFFFAOYSA-N 452.264 5.726 5 40 JKBB COc1ccc(CCn2c(-c3ccc(C(C)(C)C)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2328432 BLMISXMTNWCEJX-UHFFFAOYSA-N 493.607 5.464 5 40 JKBB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 8898402 QBJYEZLVOXZTLU-UHFFFAOYSA-N 498.992 5.871 5 40 JKBB COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ncnn21 9289052 RSPBVFAWBFJCEW-FGZHOGPDSA-N 489.919 5.230 5 40 JKBB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1COc1ccc([N+](=O)[O-])cc1 9763833 WDPLHCSPWJAVMA-MHZLTWQESA-N 499.498 6.093 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 12469693 KLRVPVUCMMHWHU-UHFFFAOYSA-N 454.508 5.445 5 40 JKBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1 15906011 VEUAXRPUKZBLMR-RDGATRHJSA-N 494.509 5.601 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 16195882 CZSLEBUGSYCSQM-UHFFFAOYSA-N 459.905 5.177 5 40 JKBB Cc1ccc2oc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)nc2c1 16348384 ZPBWDUBBIXHLLJ-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2cccc3ccccc23)c1)Nc1cccc2ccccc12 16544978 PNGLKKGRICVQFX-UHFFFAOYSA-N 491.507 7.189 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1[N+](=O)[O-] 32127857 FSZURBSPUZHCKN-UHFFFAOYSA-N 498.520 5.692 5 40 JKBB Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)c1 57316153 OAHZTIALFJJUAS-JQIJEIRASA-N 467.481 6.067 5 40 JKBB O=C1[C@H]2[C@@H](c3c4ccccc4cc4ccccc34)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102745595 BRPVDHVWYDPSQO-FRXPANAUSA-N 484.555 6.040 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)c2ccccc12 2050727 PZUBKQDBHYESIC-UHFFFAOYSA-N 468.425 6.025 5 40 JKBB Cc1ccc2sc(-c3ccc(NC(=O)/C=C/c4cc([N+](=O)[O-])ccc4OC(F)F)cc3)nc2c1 3196962 HAEVHQLUHQBWJU-VZUCSPMQSA-N 481.480 6.433 5 40 JKBB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 3315814 UFHYTLVSSZANMT-FMIVXFBMSA-N 456.907 5.805 5 40 JKBB Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cccc1[N+](=O)[O-] 8810602 YGSLQZXFBJJWPK-UHFFFAOYSA-N 498.319 5.402 5 40 JKBB CC(C)Cc1nc2sc3c(ncn4c(SCc5ccccc5)nnc34)c2c2c1CCCC2 9046566 JNEPRSRJWYVUQI-UHFFFAOYSA-N 459.644 6.257 5 40 JKBB CC(C)C(=O)Oc1cn(-c2ccc(Br)cc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9243278 NENXQRMIUJTXPG-UHFFFAOYSA-N 491.389 6.274 5 40 JKBB COc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2F)cc1 9984837 RQEDVUXWVHXJQZ-UHFFFAOYSA-N 466.494 5.195 5 40 JKBB CC(C)(C)c1ccc(CN(c2ccccc2F)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 12532351 TWHZDPWHJXSCCL-UHFFFAOYSA-N 476.957 6.080 5 40 JKBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3ccc(Cl)cc3Cl)cc([N+](=O)[O-])c2)cc1 14921069 QONMDPXBIADHFW-UHFFFAOYSA-N 460.273 5.905 5 40 JKBB O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 408758100 VHHRPNVMGQDSOI-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB COc1cc(NC(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)cc(OC)c1 1327851 DXFBMIXCOFVSJP-UHFFFAOYSA-N 462.556 5.141 5 40 JKBB Cc1nc2ccccc2nc1-c1cc(-c2nc3ccccc3nc2C)c([N+](=O)[O-])cc1[N+](=O)[O-] 3844559 RCYDBPRSFKATPX-UHFFFAOYSA-N 452.430 5.340 5 40 JKBB biogenic CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 8590522 VEVYSYKYFNOSTB-UHFFFAOYSA-N 453.454 6.478 5 40 JKBB CC(C)C(=O)Oc1cn(-c2ccc(Cl)c(Cl)c2)c2nc(C(C)C)n3c4ccccc4nc3c12 9124298 LVCBCAIJIICXLY-UHFFFAOYSA-N 481.383 6.818 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2nc(-c3ccc([N+](=O)[O-])cc3)nc2N1 9637987 OMQLDEJMPGJABJ-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB Cc1c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cccc1[N+](=O)[O-] 9980699 UQRGHUOXFKBXRY-UHFFFAOYSA-N 481.484 5.160 5 40 JKBB COc1cc(Br)cc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccco3)C[C@@H]21 12129994 GQXFCZYDPCPUCS-LAUBAEHRSA-N 470.279 5.201 5 40 JKBB Cc1ccc(NC(=O)[C@@H](Sc2nnc(N3CCCCC3)n2C2CC2)c2ccccc2)c([N+](=O)[O-])c1 12698177 BHMDQFQZCIRMSC-QFIPXVFZSA-N 492.605 5.292 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 13132170 BAFHENNHILXSEQ-UHFFFAOYSA-N 491.400 6.640 5 40 JKBB Cc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1[N+](=O)[O-] 13477514 JHKUTFJDGARTSD-BOPFTXTBSA-N 453.248 5.270 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6cccc(Cl)c6)o5)nc34)c12 13644074 BDDGPVWJOHCVRQ-UHFFFAOYSA-N 497.914 6.626 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 14275946 ITOXWJHCOGAHLL-UHFFFAOYSA-N 484.748 6.250 5 40 JKBB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16807643 LMARFJRTJYUGPS-UHFFFAOYSA-N 477.542 5.467 5 40 JKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 22532675 RIBZEPYTPAKGRP-UHFFFAOYSA-N 451.866 5.934 5 40 JKBB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)c2)c1 41091613 LDWNIDPIDRVSFL-UHFFFAOYSA-N 465.918 6.276 5 40 JKBB COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 59463622 PDCVJZPTOVUQCV-UHFFFAOYSA-N 465.918 6.300 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 106687993 WKNRRMNXUNHNMV-JAIQZWGSSA-N 454.891 6.053 5 40 JKBB Cc1cccc(OCc2ccc(C(=O)Oc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)c1 409179415 NBHSOWDVSHXZNW-UHFFFAOYSA-N 455.466 6.494 5 40 JKBB C[C@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2366692 WSACYKVPQBSYMO-QGZVFWFLSA-N 465.944 5.605 5 40 JKBB C[C@H]1[C@@H]2NC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2686059 ZPBHDPZFICVTNZ-QIGVCLAPSA-N 457.861 5.448 5 40 JKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 4014461 OJCUNYJHBVWXRA-UHFFFAOYSA-N 461.261 5.674 5 40 JKBB COc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12 9317704 VOWJAEKSPQLPAQ-UXBLZVDNSA-N 460.515 5.163 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 10035098 XIZPWOMLJRKQLL-SDNWHVSQSA-N 479.492 6.932 5 40 JKBB CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(Nc3ccc(C)c(F)c3)c([N+](=O)[O-])c2)cc1 12411074 KQEBFSSWWIEGFA-UHFFFAOYSA-N 482.424 5.123 5 40 JKBB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12844611 HINHXKDKGSJSKQ-LLVKDONJSA-N 482.871 5.843 5 40 JKBB CC(C)[C@@H](NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 13095978 NAQJMOLPUROWDZ-RUZDIDTESA-N 496.560 6.174 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H](C)n5nc(C(F)(F)F)cc5C5CC5)nc34)c12 22751686 WVIXCGIFDHYYNQ-SECBINFHSA-N 493.465 5.835 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1F 214358559 VGKTXBYBQDWHJF-LPYMAVHISA-N 464.474 5.549 5 40 JKBB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 408801652 WRFQPQSYHMTHNS-CLFKFXSOSA-N 488.589 6.909 5 40 JKBB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409150258 AQCSHTJINFHUAN-UHFFFAOYSA-N 483.594 5.256 5 40 JKBB O=C(CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)c1ccc(Cl)cc1 2968935 SERQXZJOJRXTFZ-UHFFFAOYSA-N 475.917 5.481 5 40 JKBB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 3262453 RWPDOMNTSTYQCC-UHFFFAOYSA-N 489.962 5.280 5 40 JKBB O=[N+]([O-])c1cc([C@H](O)Cc2ccc3ccccc3n2)ccc1[C@@H](O)Cc1ccc2ccccc2n1 3845191 NQCMQHOPGXXXNG-IZLXSDGUSA-N 465.509 5.243 5 40 JKBB biogenic c1ccc(Nc2nc3sc4nnc(-c5ccccc5)c(-c5ccccc5)c4c3n3cccc23)cc1 8386940 ROXNGEXHSJHTJF-UHFFFAOYSA-N 469.573 7.570 5 40 JKBB O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc(Oc2ccccc2)cc1 8809819 NGFVUNFTUXXQEX-UHFFFAOYSA-N 470.441 6.291 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 9373677 PILXFOWYQSMJIY-LJQANCHMSA-N 495.973 5.978 5 40 JKBB O=C(Nc1ccccc1C(=O)N1CCC(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 12762405 YNRPTQUCEYLIIJ-UHFFFAOYSA-N 463.921 5.520 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cn(-c2ccccc2)nc1-c1ccccc1 14846627 VPNQEYXWPXBKQS-UHFFFAOYSA-N 485.543 5.751 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 32124716 GJWUJFABWZWPEO-UCQKPKSFSA-N 476.579 6.599 5 40 JKBB CCOc1c(Br)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 33724895 AGKAWXAZXWJSDU-UHFFFAOYSA-N 471.307 5.587 5 40 JKBB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 39750733 CBFARTMKRCCAIU-AWNIVKPZSA-N 489.875 5.202 5 40 JKBB Cc1nn(-c2ccccc2)c(O)c1C(c1cccc([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 100700437 HVQBMIZMVLLYJW-UHFFFAOYSA-N 481.512 5.174 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745909 KAZHJFTXIOMOEA-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Cl)cc1 214181885 ICRLPVZUTYRQEN-LPYMAVHISA-N 480.929 6.064 5 40 JKBB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)O 408632675 GTPDVRJOTAGVLI-LDADJPATSA-N 473.942 5.097 5 40 JKBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 409367721 FBOXZGJBEDTNLQ-OVSCLSOGSA-N 472.500 5.139 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 10035113 RMOLAINGZNCIMK-JQIJEIRASA-N 493.475 6.505 5 40 JKBB O=C(Nc1nc2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2s1)c1ccco1 20411038 YERCERMHKPQJGT-UHFFFAOYSA-N 498.929 6.170 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(Cn4nc(C)c(Cl)c4C)o3)nc12 22572955 ZXWNGTFNZVNTKL-UHFFFAOYSA-N 463.954 5.279 5 40 JKBB CC(C)(C)c1ccc(-c2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1 59489573 HPSXLBFACGRRDT-UHFFFAOYSA-N 483.597 6.914 5 40 JKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)C1 103450049 RZXHCPUIOSPCAW-FDDCHVKYSA-N 491.997 5.090 5 40 JKBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4ccc(Cl)cc4C)NC3=O)o2)c([N+](=O)[O-])c1 408803221 MPMRUKZOYFVHPB-UHFFFAOYSA-N 470.914 5.588 5 40 JKBB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2c3ccccc3cc3ccccc23)C1=O 408803620 RHTZJKPEAINNJI-HECKZLQOSA-N 477.653 8.047 5 40 JKBB O=C1N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1cccc(Cl)c1 409103600 CPCVZTWRMQRUPH-YVLHZVERSA-N 488.681 5.368 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 409202720 UJBWFBQBIWVFBP-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 409373836 ZIIDVDJLRLIAIK-ZRDDSIGQSA-N 498.844 5.144 5 40 JKBB O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1C(F)(F)F 3413809 VJRKEPWQHKDQRA-LLVKDONJSA-N 456.471 5.264 5 40 JKBB Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)cc1I 14272951 JIQKQABUYIGRBQ-UHFFFAOYSA-N 462.243 5.329 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 16689260 QPJNEOQBXSVLOG-UHFFFAOYSA-N 455.942 5.428 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C 21284819 SREVBFVAKLEAFO-UHFFFAOYSA-N 494.960 5.295 5 40 JKBB Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 408736970 KJBFRMSZLZFJAQ-HHHXNRCGSA-N 493.563 5.401 5 40 JKBB O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 408755283 CVKDYYVNYSZIJL-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 408995516 JURVSWICRFENIT-FGUUHEIUSA-N 482.967 7.298 5 40 JKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409179950 QSCYMCJHCPIABK-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(C)c1 2302876 JVDDNRRHKDGOMJ-UHFFFAOYSA-N 459.553 5.397 5 40 JKBB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 8959300 CEWCIIQFWQSNOL-UHFFFAOYSA-N 459.930 5.298 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc(Br)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9243770 OCUMTILOCDRGFX-UHFFFAOYSA-N 491.389 6.247 5 40 JKBB C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(Br)cc4)n32)C1 9291797 DCHUVENZSYQQQH-NSHDSACASA-N 485.436 5.166 5 40 JKBB COc1cc2c(cc1OC)CN(C(=O)c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c1)CC2 13130553 GVOIGTXMUCQVSR-UHFFFAOYSA-N 498.919 5.265 5 40 JKBB Cc1ccc(C)c(-c2nn(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1 13633026 VOEKPUWCPXUEKK-UHFFFAOYSA-N 454.530 5.568 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cc2c1OCCO2 95473198 IAZBHCGRTWJSID-UHFFFAOYSA-N 487.512 5.694 5 40 JKBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc3ccccc23)C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102706938 SRLUQNQQGCXAOS-CCDWMCETSA-N 499.910 5.453 5 40 JKBB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c(Br)c1 106743394 SLTZQKIHHRNAAR-JAIQZWGSSA-N 499.342 6.162 5 40 JKBB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 222716374 GIUAJPMCSYTDJS-GAQQMNMRSA-N 450.520 5.238 5 40 JKBB CCc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409139480 BASWFBWIGBIAKS-LJAQVGFWSA-N 477.564 6.519 5 40 JKBB COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O 409201735 NOCDCHXTQUATSZ-VCHYOVAHSA-N 498.435 5.097 5 40 JKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(F)cc1 2102975 PMWHOUAHVIFYHB-UHFFFAOYSA-N 487.465 5.416 5 40 JKBB Cc1cc(C)c2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2216400 QIPFVUWSXITDAW-HSZRJFAPSA-N 497.532 5.986 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 2224205 OGPRVHMMPMRJLJ-UHFFFAOYSA-N 476.924 5.426 5 40 JKBB COc1c(C(=O)NC(=S)Nc2c([N+](=O)[O-])ccc(C)c2C)cc2ccccc2c1Br 8833224 BMQJKYMVBJMAPQ-UHFFFAOYSA-N 488.363 5.263 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)no1 9348477 PDGUDROXNHFYDA-QGZVFWFLSA-N 472.240 5.054 5 40 JKBB COc1ccccc1-n1cnnc1S[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 9669864 DDDXDVRSCPTQNY-NRFANRHFSA-N 495.948 5.310 5 40 JKBB CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 13509778 RGZDFNXWDLBEBZ-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB Cn1cc(-c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)c2ccccc21 13643838 WHIXVJJNLKGBOW-UHFFFAOYSA-N 482.519 6.651 5 40 JKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277668 AWNHVIRSPLZCSH-UHFFFAOYSA-N 494.960 5.614 5 40 JKBB O=[N+]([O-])c1ccc([C@H]2N=C(c3ccccc3)N=C(N(c3ccccc3)c3ccccc3)S2)cc1 36293461 AZYLXHVICHTYTE-SANMLTNESA-N 464.550 6.981 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223399722 DPPRCVQAURJIBP-DNQXCXABSA-N 456.527 5.423 5 40 JKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1O[C@H](C)CC 225757262 AOLDYDGWKVPOLR-GOSISDBHSA-N 468.550 5.789 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F 408565138 BHMSTYBRXZAFJI-HXUWFJFHSA-N 468.912 6.347 5 40 JKBB O=C(O)c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@@H]1Cc3ccccc3[C@@H]21 409001654 PZUPIPOIQYRUCH-OZNIXHKMSA-N 492.531 6.343 5 40 JKBB CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409110371 VJWROQZGKOQGCJ-UHFFFAOYSA-N 461.345 6.800 5 40 JKBB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 847187 FGYANRCMNFPLJX-UHFFFAOYSA-N 459.849 5.494 5 40 JKBB CCCCN1C(=O)c2c(Oc3ccc(Br)cc3)cc([N+](=O)[O-])cc2Oc2ccccc21 3620511 PZESDWYRUWERIA-UHFFFAOYSA-N 483.318 6.702 5 40 JKBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1 15906014 VEUAXRPUKZBLMR-WIOPSUGQSA-N 494.509 5.601 5 40 JKBB O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16487872 RSHGWIBIXIFEPI-UHFFFAOYSA-N 472.482 5.509 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 17299820 LWJXTYFEISHVMZ-VXLYETTFSA-N 485.861 5.653 5 40 JKBB Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)cc1I 22563410 AZOZCMSWEVRFPX-GQCTYLIASA-N 456.667 5.122 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)cc1[N+](=O)[O-] 215054999 PHQZRDCKZBJPGU-RGVLZGJSSA-N 499.342 6.162 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C 215129696 GWAGFZSSOMZLDK-UFFVCSGVSA-N 486.908 6.501 5 40 JKBB Cc1ccc(OC[C@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCCCCC2)c(C(C)(C)C)c1 226071832 ZGOOKMJGURPENR-XMMPIXPASA-N 455.619 5.531 5 40 JKBB CN(C)c1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 248085238 WGCKGYUFBBLHEK-ASDGIDEWSA-N 473.960 5.302 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(Cl)cc1 408572661 RQRTYOFEKJHSSC-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1C 408641201 LBUWGZXPNSQEQE-LJQANCHMSA-N 459.502 5.304 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916657 FTTDHXGJLAPMFG-LPYMAVHISA-N 491.481 5.319 5 40 JKBB O=C(O)c1ccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc4ccccc24)C3=O)cc1 408992392 AYNNXLPTHGSGAU-UHFFFAOYSA-N 488.455 6.067 5 40 JKBB CCCN1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O 408998944 VJYOYZXMARNCIE-UHFFFAOYSA-N 482.334 5.877 5 40 JKBB COc1cc(CNc2cccc(Cl)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409122510 YYLKTOHADMTXSY-UHFFFAOYSA-N 491.769 6.519 5 40 JKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 409177088 AFJYLBCZNXMRQD-UHFFFAOYSA-N 475.284 5.276 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409182849 OPEODPKYMNTUDW-VWLOTQADSA-N 480.904 5.443 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1cccc(Br)c1 409356463 GSVRCCWVNBMTAM-UDWIEESQSA-N 498.358 5.444 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 1858113 OORWHCQKZLQESU-OAHLLOKOSA-N 479.920 6.587 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)c3)nc2c1 2187708 FXHRIFMTCUGIOQ-UHFFFAOYSA-N 466.837 5.834 5 40 JKBB CC(C)(C)c1ccc(C(=O)Oc2ccc3ccccc3c2Sc2ccccc2[N+](=O)[O-])cc1 3191455 YJSUTMKXUWLEGP-UHFFFAOYSA-N 457.551 7.416 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1 9972135 UBTSGONCCJSLOW-NTCAYCPXSA-N 481.464 6.324 5 40 JKBB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12527031 ZFKCWHABZUPSQT-UHFFFAOYSA-N 482.846 5.083 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(F)cc4Cl)o3)nc12 13643691 UFCRQBKKYKWPDF-UHFFFAOYSA-N 479.924 6.136 5 40 JKBB Brc1cc(Br)c2nc3[nH]c4cc(Br)ccc4c3nc2c1 16431043 IDUZYRCLCCWNBV-UHFFFAOYSA-N 455.935 5.552 5 40 JKBB O=C(Nc1ccc(Cl)cc1Oc1ccccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22079298 DDHLWXJFIQFFTJ-UHFFFAOYSA-N 455.873 6.032 5 40 JKBB CCCNc1nc2c(s1)c(O)nc1c2sc2nc(C(F)(F)F)cc(-c3ccco3)c21 36612846 JDMANNMMFBMMTL-UHFFFAOYSA-N 450.467 6.261 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nc3n(n2)[C@H](c2cc(F)cc(F)c2)C2=C(O)CCCC2=N3)cc1 102664568 AYJPBEVGIZKMDZ-HXUWFJFHSA-N 469.473 5.428 5 40 JKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1sc2cc(Cl)ccc2c1Cl 109029811 FUKJAQDTVYOMCF-UHFFFAOYSA-N 460.751 5.897 5 40 JKBB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCCC3)cc2)C1 225537620 DOKANXSXMKKCFW-QFIPXVFZSA-N 479.621 5.936 5 40 JKBB C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408978419 ZQGCXPUKXMFCCR-MRXNPFEDSA-N 456.509 5.863 5 40 JKBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1 409244220 ZTHGKNVPEFKNAI-QGMBQPNBSA-N 472.284 5.563 5 40 JKBB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1297194 XASCLSMCROMFAZ-JOCHJYFZSA-N 455.923 5.097 5 40 JKBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2412192 KEAXTIRGTAYGAC-UHFFFAOYSA-N 497.599 5.595 5 40 JKBB CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(c2ccc(Sc3ccccc3)cc2)C1 4217561 MAJFXTGRPADJLU-UHFFFAOYSA-N 474.719 7.612 5 40 JKBB in-man Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1[N+](=O)[O-] 9200059 OOAHWRGKBHIDOU-UHFFFAOYSA-N 460.515 5.197 5 40 JKBB O=C(Cc1csc(-c2ccccc2)n1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 12794326 ZDLIBWXUPVDKHM-UHFFFAOYSA-N 489.557 5.282 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 16493637 VJNPYKCYRFWXAE-UHFFFAOYSA-N 493.475 6.461 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 22718366 VOUMWWWBTIGBRH-KRWDZBQOSA-N 481.508 7.429 5 40 JKBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Br)ccc1Cl 22758461 JHOWIGAMTNDHEW-UHFFFAOYSA-N 497.783 5.261 5 40 JKBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])C1 108862289 OTKCOWCTUUTXNF-RBSFLKMASA-N 494.375 5.568 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224409748 NWJABVQZOFLTJB-PKTZIBPZSA-N 459.506 5.097 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 408663977 IICAVMFXQVATMD-LLBVYWAGSA-N 482.533 5.008 5 40 JKBB COc1cc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc(OC)c1OC 3220403 FTCQFURESKCZJO-UHFFFAOYSA-N 459.458 5.088 5 40 JKBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCc1ccc(Cl)cc1 8792140 NOHZPKTWMABJBM-QGZVFWFLSA-N 495.966 5.372 5 40 JKBB biogenic Cc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 8900947 ZKVQWSWWGUUQIO-UHFFFAOYSA-N 498.539 6.144 5 40 JKBB O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8926517 ICRQRFSVCVAYPX-UHFFFAOYSA-N 494.290 7.222 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c12 9357082 NGKHRNDLMLWUOL-UHFFFAOYSA-N 485.341 6.734 5 40 JKBB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1 12741523 XIFNERCCQSBTJS-WEVVVXLNSA-N 450.545 6.133 5 40 JKBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OC)cc1 16682609 RYQWEKGCWVBHTR-QHCPKHFHSA-N 480.908 5.159 5 40 JKBB COc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c3n2)cc1 33085672 PXVBHVHDGHLDDL-UHFFFAOYSA-N 493.523 5.447 5 40 JKBB CN(c1ccccc1)c1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 35074572 XQILZURWAUDZSB-SDXDJHTJSA-N 459.527 6.378 5 40 JKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 214042015 TYEUFEDLXYLFFK-CIAFOILYSA-N 477.454 5.532 5 40 JKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(-c2ccccc2)cc1 224220032 XCWPJHPCHXSBAK-UHFFFAOYSA-N 454.482 6.102 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 224287415 CMSHGVYFKWFLKV-LOSJGSFVSA-N 470.554 6.044 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 409141488 ITXYTHSKZCHHPN-HYARGMPZSA-N 452.532 5.790 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1 409179257 OERWAKIKAHENOP-UHFFFAOYSA-N 490.515 7.268 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OCCC)cc1 2441886 UTYKFOMFJLMECB-UHFFFAOYSA-N 483.572 5.431 5 40 JKBB COc1ccccc1N(C(=O)c1cccnc1SC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3378870 FYVSKUDBNZACSF-UHFFFAOYSA-N 478.555 5.822 5 40 JKBB Cc1cc(NC(=O)/C=C/c2cccs2)n(-c2nc3ccccc3n2Cc2cccc([N+](=O)[O-])c2)n1 12529237 SYUWWXFKNDSLAI-VAWYXSNFSA-N 484.541 5.200 5 40 JKBB O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13371650 BSSFRHIXEUIVKY-UHFFFAOYSA-N 459.849 5.494 5 40 JKBB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 20411497 DICVZMOJQZPVRL-JLHYYAGUSA-N 491.525 6.073 5 40 JKBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 32204054 QDKKIGSOOAFHRG-UHFFFAOYSA-N 489.340 5.281 5 40 JKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(Cc3ccccc3)CCCC2)cc1 226069420 HQKLXIGLWUQFDE-MHZLTWQESA-N 468.702 5.968 5 40 JKBB CCCC(=O)Oc1cn(-c2cc(OC)cc(OC)c2)c2nc(CCC)n3c4ccccc4nc3c12 9446516 VRRZKEMFYRGYTC-UHFFFAOYSA-N 472.545 5.502 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924269 JQQAXXNZGKFEGG-ZEQHCUNVSA-N 468.122 7.085 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224380484 MMOKTWKZURPYQM-CLJLJLNGSA-N 484.581 6.550 5 40 JKBB CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408976124 PGYXBUQHZHOXJJ-UHFFFAOYSA-N 488.620 6.488 5 40 JKBB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 409112582 FABKQNVKUKHQPT-STZFKDTASA-N 493.357 6.234 5 40 JKBB CCOc1ccccc1Oc1c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)n[nH]c1C 9210757 AYNSSMYDXRUCQL-UHFFFAOYSA-N 461.474 5.769 5 40 JKBB CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(Cl)cc4Cl)n32)CO1 9344676 HHVOFVMQYKDNIF-UHFFFAOYSA-N 491.429 5.437 5 40 JKBB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc21 15979535 SFIQUTZETRCDRV-UHFFFAOYSA-N 483.524 5.393 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 106738930 OLERYPMROPJMER-OYKKKHCWSA-N 490.537 5.727 5 40 JKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 408907245 NKABBYQITJXJSF-VGOFMYFVSA-N 471.922 5.009 5 40 JKBB S=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408976093 PAFVVAHATRYGOE-UHFFFAOYSA-N 482.572 6.842 5 40 JKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409177704 CESAJYCJHKDGFK-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 8899560 LSVFUPDRFKYXBW-UHFFFAOYSA-N 486.528 5.615 5 40 JKBB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1 9578209 HHIBJDJJKRYXOV-UHFFFAOYSA-N 481.534 5.354 5 40 JKBB Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc23)cc1Cl 13511028 SQKCIYWAQGCVAN-UHFFFAOYSA-N 471.951 5.354 5 40 JKBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 16741860 KHTSGINETDDZPI-NRFANRHFSA-N 491.297 5.209 5 40 JKBB Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc([N+](=O)[O-])cc1Cl 16778337 ISPPXMMIOCGCJR-UHFFFAOYSA-N 487.900 5.183 5 40 JKBB O=c1/c(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)sc2nc3ccccc3n12 198105156 RVNOHXOCWOLWAO-JAIQZWGSSA-N 498.347 5.251 5 40 JKBB O=C1N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1Cc1ccccc1 409240830 IIRWTPONLNHBEV-PCLIKHOPSA-N 479.492 5.420 5 40 JKBB O=C(c1ccccc1)N1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 2271124 DRYVRSNCHGPEQV-NDEPHWFRSA-N 480.476 5.548 5 40 JKBB Cc1nn(-c2ccccc2)c(OC(=O)c2cccnc2Cl)c1Sc1ccccc1[N+](=O)[O-] 3177580 PYHNCDCJXBAYQZ-UHFFFAOYSA-N 466.906 5.508 5 40 JKBB CC(C)(C)c1ccc(C[C@H]2CCC[N+](Cc3ccccc3)(Cc3ccc(Br)cc3)C2)cc1 4105062 MNKTXOHGJJAZFB-XIDOUCRZSA-N 491.537 7.916 5 40 JKBB C=Cc1ccc(COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1 8792144 JLVHBBNTVSJTHN-UHFFFAOYSA-N 462.505 5.831 5 40 JKBB biogenic CC1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 8832670 PTLDJPWKIJHYJH-UHFFFAOYSA-N 456.974 5.727 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)nc12 10010631 QBUVFQDUZPOHBW-UHFFFAOYSA-N 474.292 5.488 5 40 JKBB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 11617445 NYCSESKKKMYITP-UHFFFAOYSA-N 451.891 6.416 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2nc(-c2cn(C)c3ccccc23)c2c(=O)oc3ccc(O)cc3c21 11865381 CEFLZJYBGUDYJL-UHFFFAOYSA-N 477.545 6.585 5 40 JKBB biogenic O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13786645 NEQWCIJYNLWUAJ-AUSIDOKSSA-N 494.301 5.328 5 40 JKBB O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 16450622 AIUFDONWLLYTEG-UHFFFAOYSA-N 470.938 5.235 5 40 JKBB CCn1c(=O)c2oc3ccccc3c2n2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3c12 16756707 HORLMQRCXSSWTQ-UHFFFAOYSA-N 496.519 5.430 5 40 JKBB Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 205680484 RPWAMOIRHUJSJS-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224213151 JJCBYBWLUWAYKA-ZEQRLZLVSA-N 455.543 5.266 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F 224916756 IUJUNNAEZSIYKP-RPWUZVMVSA-N 474.517 5.874 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565094 HRAWXSGSMMPZFZ-HGMMTPDKSA-N 498.366 5.094 5 40 JKBB COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1 408672930 PJOGQSAWNQDJOY-UHFFFAOYSA-N 483.480 5.900 5 40 JKBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408764148 SCACHMPNXOLOAL-PAIGMYNKSA-N 472.500 5.658 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 1860226 JDNYEIMNRFKYBI-CQSZACIVSA-N 463.921 7.131 5 40 JKBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2054728 IMHJYCNJUBORRY-WOJGMQOQSA-N 465.805 5.293 5 40 JKBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 9226500 COOKKPZMMQEFKY-UHFFFAOYSA-N 471.878 5.569 5 40 JKBB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12 10187571 KOTMYYFSKOJQCR-SDNWHVSQSA-N 460.515 5.245 5 40 JKBB COc1c(Br)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14272932 DSIMRXGGZORIRM-UHFFFAOYSA-N 464.497 5.034 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1 16610766 XDOGACSGHWBHGZ-CQSZACIVSA-N 494.345 6.931 5 40 JKBB O=[N+]([O-])c1cccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccc(F)cc4c32)c1 20183635 HVFONCJJVOOLOA-UHFFFAOYSA-N 463.266 6.051 5 40 JKBB CC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@@H]2c2ccccc2)nc1C 51330470 VWNTXEPDNSTILT-TXCGACJGSA-N 472.570 6.363 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 224278619 AYNZWEIUJWPMOS-DQEYMECFSA-N 469.570 5.574 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1 224482457 LCIBJRSBXOMSRL-PKTZIBPZSA-N 476.945 6.080 5 40 JKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 253596853 WMMXFSVJARKOOK-VMGOQZOXSA-N 492.531 5.310 5 40 JKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409154975 POWYFRZUJWAEEK-UDWIEESQSA-N 477.498 5.147 5 40 JKBB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2201210 WWLRKJAWNWWQAC-HSZRJFAPSA-N 486.505 5.368 5 40 JKBB CCOc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 2332502 OWMXPIILEBDUOX-UHFFFAOYSA-N 456.546 5.910 5 40 JKBB COC(=O)C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)c1ccccc1 9389979 ZHDRAJVJAVDJMO-SFHVURJKSA-N 484.892 5.083 5 40 JKBB CCN(CC)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCO3 10066866 QQSZHCVEIJTYNR-UHFFFAOYSA-N 498.586 5.137 5 40 JKBB C[N+]1(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN(c2ccccc2)CC1 12494915 JMJWLJXAKUGFJD-SANMLTNESA-N 486.463 5.427 5 40 JKBB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 13799816 MOXYSYPFSHQBRA-QHCPKHFHSA-N 486.915 5.454 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 22712116 HQSMPRAIYQEVFO-JLHYYAGUSA-N 475.936 5.977 5 40 JKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc(OC)c1OC 79480649 SGKRIFRRXRXLAU-UHFFFAOYSA-N 463.490 5.324 5 40 JKBB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727507 XEISTCCGGFYGQU-IDUWFGFVSA-N 458.293 5.075 5 40 JKBB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)C1 225506841 LSZDVCGUFRSNPG-SFTDATJTSA-N 465.594 5.402 5 40 JKBB CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl 408577125 YOOLHNQHFCEHBO-SFHVURJKSA-N 467.378 5.700 5 40 JKBB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c1 408694780 MLFYISLONJKHBV-UHFFFAOYSA-N 492.333 5.474 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 409103117 ARDOANASOYRUNA-UHFFFAOYSA-N 474.439 6.075 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 409177575 AIQFVKGGLMSBTM-UHFFFAOYSA-N 494.459 5.545 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3Cl)c2ncn1Cc1ccc(Cl)cc1 2253216 OXJGXRFFPBBAJW-UHFFFAOYSA-N 486.362 5.698 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 8885831 USXQLNOIQKVAAQ-YWZLYKJASA-N 466.567 5.039 5 40 JKBB C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C 8965775 FCUDTFSZOAMCDU-KZNAEPCWSA-N 465.579 5.113 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1cc2ccccc2o1 32115178 KCCCVVIUVKXAAA-UHFFFAOYSA-N 488.525 5.337 5 40 JKBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 33664320 XBXQTWRFSJGMEX-UHFFFAOYSA-N 455.253 5.927 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223830213 HGPALJHWEJRCRU-JWQCQUIFSA-N 485.569 5.356 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl 408565196 IUFFDZAGLPGUAP-RTFLAGNKSA-N 498.366 5.141 5 40 JKBB COc1ccc(N(C)C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408973419 ARLUUFVCKRRUCD-UHFFFAOYSA-N 476.565 5.721 5 40 JKBB Cc1ccc(OCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409181590 DIUCPUFHPFJOBL-UHFFFAOYSA-N 469.493 6.632 5 40 JKBB O=[N+]([O-])c1cccc(S(=O)(=O)[C@H](Cc2ccccc2)Sc2ccc(Br)cc2)c1 3022543 KXKPVMRKBWNLDK-HXUWFJFHSA-N 478.389 5.492 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12)Nc1cccc(Cl)c1 8445984 DCKGHXLIPBOWFL-UHFFFAOYSA-N 455.970 6.834 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 9684298 VNGMYTHHJNAQMQ-OAHLLOKOSA-N 460.515 5.333 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 10119752 VRRBLKRYMAPUQC-UHFFFAOYSA-N 466.291 5.980 5 40 JKBB C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(C)cc1)[N+](=O)[O-] 33636568 NOVRRJZRMVLIQJ-YRNVUSSQSA-N 455.102 5.377 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 408575352 WAMGGLFWHFMJGV-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 408609772 ORIJCLZANIVEHF-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 409174274 QNIGDSBWWDWHCE-FYJGNVAPSA-N 477.498 5.092 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C 409177055 BUJVZYHGSUUTHP-AREMUKBSSA-N 460.486 5.098 5 40 JKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 2405304 ZNHRIJNJCZEILI-UHFFFAOYSA-N 485.897 6.002 5 40 JKBB COc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1OC 9219295 JFEXUXRDYORKNZ-UHFFFAOYSA-N 458.923 5.977 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 9948544 HYMPCFLGIDAJPI-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cccc1[N+](=O)[O-] 22748826 ZDHLDEADGOVEOT-UHFFFAOYSA-N 490.585 5.580 5 40 JKBB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32126312 IGILOALPBCGQRP-UHFFFAOYSA-N 493.353 5.898 5 40 JKBB COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2-c2ccccc2)cc1 89455398 MTRFBSARNCMARN-UHFFFAOYSA-N 476.514 5.010 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102706934 SRLUQNQQGCXAOS-SDHOMARFSA-N 499.910 5.453 5 40 JKBB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224760494 FFSJDUMJACTHHH-ZEQRLZLVSA-N 488.594 6.220 5 40 JKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408609845 PBVMZOQQJZVORJ-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1-c1ccccc1 409053568 ZWVVKWPMEDBKHK-UHFFFAOYSA-N 495.535 7.444 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2=O 409179986 SKDKVGYJTZRDIA-MHZLTWQESA-N 463.445 5.587 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409182806 OPERUDYAMVEREU-AREMUKBSSA-N 487.895 6.822 5 40 JKBB COc1cc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc([N+](=O)[O-])c1 865651 OMVSFQSHWFIUJW-CVEARBPZSA-N 495.845 5.366 5 40 JKBB O=[N+]([O-])c1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3C(F)(F)F)n2)cc1 3766617 RGHRWQWDNMXVHH-UHFFFAOYSA-N 450.829 6.243 5 40 JKBB COc1ccccc1-n1c(SCC(=O)c2cccc(C(F)(F)F)c2)nc2cc([N+](=O)[O-])ccc21 12560869 GDISWTJWXLWEMW-UHFFFAOYSA-N 487.459 5.936 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)o1 15947384 NVIBFNLWYGNDJI-DEOSSOPVSA-N 486.553 5.904 5 40 JKBB CC1(C)C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 16577727 QASRUQBWIJSWCO-MHECFPHRSA-N 498.540 5.031 5 40 JKBB O=[N+]([O-])c1ccccc1/C=C\c1cc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] 68563152 VYMJPXODFITBKT-DSOJMZEYSA-N 462.374 5.660 5 40 JKBB O=c1c2ccc3sc4ccccc4c4ccc(c(=O)n1-c1ccc(Br)cn1)c2c34 95470776 DTYVTOGGBRUEIS-UHFFFAOYSA-N 459.324 5.467 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564671 DNSIGFNSTHVEOC-NIDLKEISSA-N 498.366 5.094 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Br)cc1 408608939 NCTJXVRSOGLENB-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Br)cc2)n1 408696102 WDRRRGZAQFJVKZ-UHFFFAOYSA-N 498.724 5.511 5 40 JKBB CCOc1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408974960 GRDWQKKTDKZJBL-UHFFFAOYSA-N 476.565 6.087 5 40 JKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409096494 LFWDQSWAIRGAAY-UHFFFAOYSA-N 470.476 6.245 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 1838676 DQBZXEWOWOGOSO-RUZDIDTESA-N 487.895 6.822 5 40 JKBB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 2248424 YSSSPQZYJIMTMJ-UHFFFAOYSA-N 478.888 5.881 5 40 JKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1ccccc1F 3079294 YAOBLIBTXRBEST-UHFFFAOYSA-N 478.217 5.383 5 40 JKBB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3c2C1 8974215 OUFKNHCIQLVDCO-INIZCTEOSA-N 456.564 5.991 5 40 JKBB C[C@@H](c1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1-c1ccccc1)N1CCCCC1 9338643 QAJYUFLAQXVNKP-FQEVSTJZSA-N 496.636 6.366 5 40 JKBB Cc1cc(C(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)n1CCc1ccccc1 12639050 MVRRIHAOPOVGFN-UHFFFAOYSA-N 472.497 5.556 5 40 JKBB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463608 HNHWJUNKLZXWNY-UHFFFAOYSA-N 487.581 7.125 5 40 JKBB O=[N+]([O-])c1ccc(/C=C/c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 68563478 CDSARYSJQNNQEW-KQQUZDAGSA-N 462.374 5.660 5 40 JKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)ccc1OC(C)C 95480001 AAHLYWWMTTZWQD-UHFFFAOYSA-N 461.518 6.094 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102491760 JLVYRCWYBULNSR-HXUWFJFHSA-N 459.424 5.950 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205700425 IUHWOISURXXBMV-YBFXNURJSA-N 474.416 6.110 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl 214126841 MYZPUVYKPXUESL-UDWIEESQSA-N 453.907 5.335 5 40 JKBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 224845690 HXRWEJWAOSVBGK-NDEPHWFRSA-N 499.611 5.145 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 250976747 IKIJWOYARQODTJ-OOIQZMFUSA-N 476.532 5.635 5 40 JKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1O 408841343 FLCWZUAGBHJGJK-WUXMJOGZSA-N 479.695 5.276 5 40 JKBB O=C1N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1Cc1ccccc1 409230010 WLFPGVQMDCKCBS-PCLIKHOPSA-N 479.492 5.420 5 40 JKBB Cc1c2cc[n+](Cc3ccc(I)cc3)cc2c(C)c2c1[nH]c1ccccc12 1608478 FXOCKHXNAJASED-UHFFFAOYSA-O 463.342 6.032 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(Cl)c2)cc1 2256780 KHHWJDKWUTTZER-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB COc1cc(Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc(OC)c1OC 2948889 YGFHAAKLXDQPRY-UHFFFAOYSA-N 478.530 5.600 5 40 JKBB CCOC(=O)c1ccc(N[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1 3672364 MSZFQGBEVMMFHI-QFIPXVFZSA-N 497.345 5.960 5 40 JKBB CC1(COC(=O)N2CCC[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21 8815576 PFPQPFZIKBLXLW-XMMPIXPASA-N 471.513 5.121 5 40 JKBB O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(-c2nc3ccccc3s2)cc1 9724185 LCXJHJAQMDTJBY-UHFFFAOYSA-N 493.500 6.464 5 40 JKBB COc1ccccc1OCc1ccc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)o1 13643754 LUSHCTXUKRJSQD-UHFFFAOYSA-N 457.515 5.352 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20142804 VMWAPCVUCCZPIR-UHFFFAOYSA-N 455.898 5.243 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 408574538 VDJFSYLJIJFYPB-XMMPIXPASA-N 460.559 5.573 5 40 JKBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408849576 ZIISPWXHXJBMGD-YBFXNURJSA-N 483.263 5.465 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408999723 SEGBIICMHTZHED-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)c(C)nc32)cc1C 2211038 HXUKQEUQVNFPDR-IBGZPJMESA-N 459.553 5.818 5 40 JKBB COc1cc(NC(=O)COC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)c(C)cc1[N+](=O)[O-] 12542078 MLZDLTBRXLELTI-UDWIEESQSA-N 498.894 5.427 5 40 JKBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 36408651 HXLDLGPOKADBKW-SJWGOKEGSA-N 466.793 5.890 5 40 JKBB Oc1ccc2c(c1)oc1c(-c3ccc4c(c3)OCCO4)c3c(O)nn(C4CCCCC4)c3nc12 95477467 IAENPLMZJFQZHD-UHFFFAOYSA-N 457.486 5.685 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1F 214358622 NJPYSONDFYLWQO-LPYMAVHISA-N 464.474 5.549 5 40 JKBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 408566174 DWLZWZUCDBHTAW-SFHVURJKSA-N 453.351 5.391 5 40 JKBB O=c1c2c(nc(SCc3cccc(C(F)(F)F)c3)n1-c1ccc([N+](=O)[O-])cc1)CCS2 2720092 IGDHJNZXGWYEGO-UHFFFAOYSA-N 465.478 5.100 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CC[C@@H](C(C)(C)CC)C2 2759865 VQDCRXZRCLCUDL-OAHLLOKOSA-N 474.579 5.635 5 40 JKBB COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2C2CCCCC2)cc1 9129387 RGTVJXJAQFFGDY-UHFFFAOYSA-N 482.562 5.526 5 40 JKBB CCOc1ccc(-n2c(SCCn3c([N+](=O)[O-])cnc3C)nnc2-c2ccccc2Cl)cc1 12520168 XHRHPDZJYUVKTM-UHFFFAOYSA-N 484.969 5.192 5 40 JKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1 16688923 UAZUAMVMZIMHHI-FLIBITNWSA-N 451.479 5.095 5 40 JKBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(-c2nnc3n2CCCCC3)cc1 19200391 XQOQQPUQTGLKNO-UHFFFAOYSA-N 488.470 5.039 5 40 JKBB Cc1ccc([P@](=Nc2ccccc2[N+](=O)[O-])(Oc2cccc(Br)c2)C(C)(C)C)o1 21487133 NUGADSGYDSPEFT-LJAQVGFWSA-N 477.295 7.209 5 40 JKBB CN1C(=O)S/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O 83312618 XZDYHAYEOWXNRH-JJIBRWJFSA-N 481.533 6.386 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 214521205 JGKIPUUHXHVHRA-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1 409178412 HLMBBLMBIDXVHK-HXUWFJFHSA-N 474.694 5.792 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409188818 ATJULKCWAWYQJP-LPYMAVHISA-N 496.928 6.077 5 40 JKBB CCOc1ccc(C(=O)N(c2cccc(C)c2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 3434749 QNCAQWDWJQCYHI-UHFFFAOYSA-N 459.527 6.404 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 10060339 VNGVGCJTQRKDPA-FCHUYYIVSA-N 459.893 5.221 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 12528699 WLEBXZYJMQPZSM-UHFFFAOYSA-N 461.499 5.656 5 40 JKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2cc3ccccc3oc2=O)cc1 12857767 QANBDLRXPKYOKJ-UHFFFAOYSA-N 469.478 5.744 5 40 JKBB COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2[C@H]2CCCC[C@@H]2C)cc1 16044623 KCWISLVOINIEGB-KKSFZXQISA-N 466.563 5.588 5 40 JKBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 32124843 HMDGJEVVONPLSH-MFOYZWKCSA-N 485.370 5.223 5 40 JKBB COc1cc2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(C)nn3Cc3ccccc3)c2cc1OC 70503667 GGPSNVWSZXLBQV-UHFFFAOYSA-N 454.486 5.534 5 40 JKBB C[C@H]1[C@H]2NC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100889646 ZPBHDPZFICVTNZ-ORCHDJNQSA-N 457.861 5.448 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214045592 VSLVQTBOBMEQBG-BUVRLJJBSA-N 490.537 5.809 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([N+](=O)[O-])c1 409182133 JJWIPFTZWGCUQV-HXUWFJFHSA-N 485.246 5.047 5 40 JKBB O=C(COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc([N+](=O)[O-])c1 836554 VXZDEEFJXJSAQR-UHFFFAOYSA-N 473.268 5.194 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@H]([C@@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1)N1CCCCC1 1745097 VFBMXCBUXZNAED-RPWUZVMVSA-N 455.986 5.513 5 40 JKBB O=C(O)c1cccc2cccc(-c3c4c(=O)c5ccccc5c4nc4c3c(=O)c3ccccc34)c12 3106544 DVRIQGRPUACFPD-UHFFFAOYSA-N 453.453 5.809 5 40 JKBB COC(=O)c1cc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc([N+](=O)[O-])c1 3426291 GHCOVGMGXXCLDQ-FQEVSTJZSA-N 477.904 5.078 5 40 JKBB O=[N+]([O-])c1cc([C@@H](O)Cc2ccc3ccccc3n2)ccc1[C@H](O)Cc1ccc2ccccc2n1 3845188 NQCMQHOPGXXXNG-WUFINQPMSA-N 465.509 5.243 5 40 JKBB biogenic COc1cc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC 9510642 ZUAJRYJHCKCKRG-HSZRJFAPSA-N 498.491 5.018 5 40 JKBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)c1cccc(Cl)c1 10433934 APLOYJMEZNUSDX-UHFFFAOYSA-N 494.356 5.120 5 40 JKBB Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 12546467 OLWAAEHARBRIAD-UHFFFAOYSA-N 463.578 7.279 5 40 JKBB Cc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc2c1=O 13584544 UGNOINSVPBTLGL-MDWZMJQESA-N 462.303 5.535 5 40 JKBB CCCN(C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(C3CCCCC3)cc2)cs1 20178619 GNLVULJXYWXRLC-UHFFFAOYSA-N 464.591 7.215 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 36315253 QEKIEKMHKQUNFP-HLPJKERBSA-N 499.592 5.030 5 40 JKBB COc1ccc(N2C(=O)c3cccc4c(OCc5ccccc5[N+](=O)[O-])ccc(c34)C2=O)cc1 95470862 YXKOKCPVQMWDRP-UHFFFAOYSA-N 454.438 5.136 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 100251727 PXKSZLNWUBATKZ-VLHNATBGSA-N 462.505 5.327 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 101020486 AIHCKNJVFMRKQY-PZVJUEDKSA-N 498.930 5.548 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1 101239991 XRNUNXKWWYCCAH-ZRBLBEILSA-N 495.894 5.055 5 40 JKBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)o1 108005287 GRUJJNMAZYQBIC-GIJQJNRQSA-N 488.861 5.124 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 214190098 WIZPWFRXAJEHFQ-SRZZPIQSSA-N 468.918 6.362 5 40 JKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(Cc3ccccc3)CCCC2)cc1 226069432 HQKLXIGLWUQFDE-HHHXNRCGSA-N 468.702 5.968 5 40 JKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(I)cc1 408545500 ZHNCZVLARMSPHJ-UXBLZVDNSA-N 492.269 5.254 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 408570673 LVCYSORLECJMGS-DEOSSOPVSA-N 476.558 5.273 5 40 JKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633655 LGAUOTPOBHHRNY-LDADJPATSA-N 472.910 5.116 5 40 JKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409162763 HJUYVBABMBGQNJ-UDWIEESQSA-N 477.498 5.147 5 40 JKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 409180136 ULHAKTQMEIUNNX-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 2232931 SZDJLQLPNSCOOE-UHFFFAOYSA-N 499.615 5.443 5 40 JKBB Cc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1 2302798 NUEWFVHKYFUTGD-UHFFFAOYSA-N 474.900 6.120 5 40 JKBB O=c1c2ccccc2sc2nc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n3c4ccccc4nc3c12 9087315 CLAHQXZMUQZNQM-UHFFFAOYSA-N 469.438 5.094 5 40 JKBB Cc1occc1-c1nnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1-c1ccccc1 9131020 JFRWSHVVYGRZGT-UHFFFAOYSA-N 460.475 5.086 5 40 JKBB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 20151000 IOCOSQOQSRWMEJ-VMPITWQZSA-N 456.838 5.175 5 40 JKBB O=C(CCN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 95116001 VMSOOQRYCKSBMA-GDLZYMKVSA-N 496.611 5.617 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 106701649 MYSLRVZYGFBHHK-UUYOSTAYSA-N 491.481 5.840 5 40 JKBB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1Cc1ccccc1 106727031 CRJWWUAMKIXKDL-MYYYXRDXSA-N 483.549 6.143 5 40 JKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(F)cc1Cl 106734763 UVNNFXNMFRJUJU-OCKHKDLRSA-N 485.880 5.811 5 40 JKBB Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccc([N+](=O)[O-])c1 197917554 QSCODDFOVNRNSG-UHFFFAOYSA-N 475.555 5.312 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223877152 HNQVGNOZMFMGIX-BJKOFHAPSA-N 488.525 5.141 5 40 JKBB Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c1 408693845 FWPJOTCFAWRGOK-UHFFFAOYSA-N 478.306 5.166 5 40 JKBB COc1ccc(CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)cc1 408751204 XSINZXYNOOQFAF-UHFFFAOYSA-N 495.538 5.456 5 40 JKBB COc1cc(OC)c(-c2nc3c([nH]2)c2c4cccc(C)c4ccc2c2occ(C)c32)cc1OC 1547205965 GCNWORROFMZCIN-UHFFFAOYSA-N 452.510 6.925 5 40 JKBB biogenic CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 917479 SDRYRTAZGBDWLL-UHFFFAOYSA-N 489.582 5.795 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccccc3Cl)nc2N1 940787 RACJEUXHKMIUTF-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB O=[N+]([O-])c1ccccc1/C=C/S(=O)(=O)N1C=Cc2ccccc2[C@H]1c1c[nH]c2ccccc12 1504795 BQZRQXSWXUCSMH-YVIRBKRRSA-N 457.511 5.453 5 40 JKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2433341 SLNDHNJHTXCYEL-ZDUSSCGKSA-N 462.351 5.326 5 40 JKBB CCCOC(=O)c1c(-c2ccc(CC(C)C)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2765982 FXGPBUQYMPXQPB-UHFFFAOYSA-N 466.559 6.341 5 40 JKBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 8901720 QLOKALMEQMKMNS-UHFFFAOYSA-N 496.951 5.209 5 40 JKBB C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 9219730 AVFVKTSIYGUCOC-HNNXBMFYSA-N 493.536 5.077 5 40 JKBB COc1ccc(-n2nc3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 57313630 FAEWADCLERLTCF-UHFFFAOYSA-N 479.905 5.458 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214880882 LZNPCFCCKSFQRL-VXLYETTFSA-N 475.309 6.398 5 40 JKBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223437461 DXFCVCLAKMRJCX-JWQCQUIFSA-N 486.553 5.431 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 224036921 LWVMJCQZYHKVGR-RPWUZVMVSA-N 486.509 5.156 5 40 JKBB COc1cccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)c1 408974741 CYWGDRIYCSKABZ-UHFFFAOYSA-N 462.538 5.697 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(Cl)c1 409164266 FVTNMQYSSHRROG-YBFXNURJSA-N 483.889 5.183 5 40 JKBB COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 409183859 VUDDPYSNIIRSMK-RUZDIDTESA-N 496.903 5.143 5 40 JKBB COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc([N+](=O)[O-])cc1)C(=O)C2 504245272 QICGSIQQNLMAOI-RUZDIDTESA-N 466.921 5.723 5 40 JKBB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2268108 KFBXEYUPJHUQSW-QRWLVFNGSA-N 477.973 7.055 5 40 JKBB Cc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] 6177611 KMAZUKTXXWXORM-UHFFFAOYSA-N 457.334 6.218 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)cc([N+](=O)[O-])c1C 9233992 GOYKYVKAWPESCK-SRZZPIQSSA-N 452.463 5.847 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 9348545 SGLPGQBZGQCSBZ-UHFFFAOYSA-N 475.552 5.097 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 12561466 MBIDOJTXHUGYAN-UHFFFAOYSA-N 453.295 5.121 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 13576410 XVNLDAHYGUOZCH-YOMUGFJLSA-N 450.491 5.013 5 40 JKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16282590 HIKJIPVSHJDNLH-UHFFFAOYSA-N 474.542 5.269 5 40 JKBB CCOc1ccc(C(=O)NC(=S)N(c2ccccc2)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 16692987 GMJGCYZIZMICIG-UHFFFAOYSA-N 471.538 6.000 5 40 JKBB O=C(N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F 102641578 PCTFTRIXCXTJKQ-NPMXOYFQSA-N 497.429 6.300 5 40 JKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224396348 YEYCFHLSDHOWPQ-HXUWFJFHSA-N 498.432 5.078 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)c1 408576035 XETIBPGPJAOIQS-XMMPIXPASA-N 478.549 5.712 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(Cl)c1 408605700 GMGVIXKADNKXHI-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 2249999 WWYKCOUOJBIAMD-QGZVFWFLSA-N 480.355 5.078 5 40 JKBB O=C(OCc1c(Cl)cccc1Cl)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3317850 JMYTTWZCQQASOW-UHFFFAOYSA-N 464.688 6.143 5 40 JKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2[N+](=O)[O-])n1 3351901 BWSQTQSDIWBBJL-WAIKUNEKSA-N 489.619 5.095 5 40 JKBB CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 8648967 QERFQVNVCOEHSF-XMMPIXPASA-N 485.512 7.966 5 40 JKBB CC(=O)c1ccc(Sc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)c([N+](=O)[O-])c1 9379234 BTZDHKAEEWDVKF-NRFANRHFSA-N 474.498 5.042 5 40 JKBB O=C(OCc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccc1Cl 12959097 IQEHJUUWRWEBKO-UHFFFAOYSA-N 456.932 6.366 5 40 JKBB O=[N+]([O-])c1ccc(Sc2c(-c3ccccc3)c3c4n(c(-c5ccccc5)cn24)CCCC3)cc1 13148019 JSEXTCZARKCRHL-UHFFFAOYSA-N 465.578 7.471 5 40 JKBB CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 13509784 BLKLETCJKQWZMZ-UHFFFAOYSA-N 472.549 5.361 5 40 JKBB C[N+](C)(CC[N+](C)(C)[C@H](Cc1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 17299776 QJPMIAXUKUYRGL-AQOUDTPCSA-N 478.724 7.107 5 40 JKBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 20151055 KGRUSDGUKICNHG-KPKJPENVSA-N 474.469 5.576 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 106685849 XMFXGPZJWMEYOD-NVNXTCNLSA-N 453.701 5.247 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(Cl)cccc1Cl 214788606 OSPXARSWMKCBMD-VXLYETTFSA-N 475.309 6.398 5 40 JKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)Nc1cccc([N+](=O)[O-])c1 408644670 HQMNYLPRLNHLFU-UHFFFAOYSA-N 496.306 5.912 5 40 JKBB CC(C)c1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409120557 UGPHSINYKZADAA-PMERELPUSA-N 491.591 7.080 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1CCc1ccccc1 409202488 RCTKFHXPVRRFTE-DEDYPNTBSA-N 499.342 5.896 5 40 JKBB Cc1nn(-c2ccccc2)c(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1OC(=O)c1ccccc1 2066800 LYSKTNZPFPKUJZ-UHFFFAOYSA-N 475.504 6.642 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 6143794 GZLCFGAPEZHILF-UHFFFAOYSA-N 481.255 5.759 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C 6471766 NCHNEVSGMLXTGB-IDISGSTGSA-N 485.584 6.688 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 8835252 ZSZUZKNCIGCXDM-UHFFFAOYSA-N 478.555 5.315 5 40 JKBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1ccccc1Cl 14273019 DTWLYMREBKUMCC-UHFFFAOYSA-N 460.273 5.415 5 40 JKBB O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2cccc(Cl)c2)c1 16398992 PHUNNENDINMDDG-UHFFFAOYSA-N 460.277 6.190 5 40 JKBB COc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1-c1ccc(CO)o1 20139643 SCKWMKVVPVAOSN-UHFFFAOYSA-N 458.879 5.476 5 40 JKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)CC1 20142862 PIAYYEHIFJKPFJ-UHFFFAOYSA-N 469.925 5.489 5 40 JKBB Cc1c(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cccc1[N+](=O)[O-] 32114449 QRORYOPHCFJWFQ-UHFFFAOYSA-N 487.899 6.536 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 32116766 LRCDKGKHLQDZTH-RUDMXATFSA-N 480.274 5.523 5 40 JKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 33378580 PWVMXNJUBJMCHG-HJWRWDBZSA-N 493.741 6.455 5 40 JKBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl 33535053 NDAMTPFISXUMML-UHFFFAOYSA-N 489.875 5.503 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)n1 408695313 PUCRDHRGSARNME-UHFFFAOYSA-N 498.724 5.511 5 40 JKBB Cc1ccc(N(C)C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C 408977755 XZSTVXUKUACXQW-UHFFFAOYSA-N 474.593 6.329 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409190207 PUWLUTLGNNOOSP-YBFXNURJSA-N 483.889 5.685 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 409360202 ZBRIQRYMHRMFIS-SRZZPIQSSA-N 482.901 5.736 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2228968 HBYGPFNBNRDYNU-UHFFFAOYSA-N 481.556 5.139 5 40 JKBB O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 3315724 HGSLIVGOTAZKGK-IBGZPJMESA-N 479.703 6.092 5 40 JKBB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 6239360 ZAEFJKLHUUBQSA-UHFFFAOYSA-N 463.515 5.026 5 40 JKBB Cc1cc(Br)cc2c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc(-c3ccc(Cl)cc3)nc12 9371748 MDKAFDRNOCXHES-UHFFFAOYSA-N 496.748 6.787 5 40 JKBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1cc(-c2cccs2)nc2ccccc12 9404079 USLVPIIHLMMWML-UHFFFAOYSA-N 464.553 6.309 5 40 JKBB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 9715927 SXWBJKOVRSCVOF-UHFFFAOYSA-N 467.890 5.320 5 40 JKBB C[C@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 11277364 ZYJMLSKATWJXOJ-FQEVSTJZSA-N 476.532 5.392 5 40 JKBB COC(=O)CN1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1cccc([N+](=O)[O-])c1 13372416 DMMHNRQEFOHLAQ-XZOQPEGZSA-N 482.334 5.046 5 40 JKBB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 13839324 LAOHMPAFNHQKDS-UHFFFAOYSA-N 475.460 7.069 5 40 JKBB Cc1ccc([P@@](=Nc2ccccc2[N+](=O)[O-])(Oc2cccc(Br)c2)C(C)(C)C)o1 21487134 NUGADSGYDSPEFT-GDLZYMKVSA-N 477.295 7.209 5 40 JKBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2Cl)sc2nc3ccccc3n12 33921179 DAOFEKDLLOAJPL-UFFVCSGVSA-N 498.347 5.251 5 40 JKBB CN(Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)OC(C)(C)C 58017573 ULMKLIHSVNGXNY-UHFFFAOYSA-N 471.557 5.160 5 40 JKBB CC(C)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 79188364 GWVSQTZBMCFBNT-UHFFFAOYSA-N 469.585 7.405 5 40 JKBB biogenic O=C1S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106738920 KLTAAXVKMZJGFV-XYGWBWBKSA-N 499.548 5.865 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214584999 UCUNWWBXCNCHSH-ZMOGYAJESA-N 490.537 5.727 5 40 JKBB C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408999470 CYXMOWBWKHEYQE-KWTBFXGESA-N 499.611 5.149 5 40 JKBB O=C1S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1c1ccccc1 409344011 GFTWTJNERQUYAJ-NDENLUEZSA-N 486.427 6.647 5 40 JKBB CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 862090 SQYAASHGARVBIL-UHFFFAOYSA-N 459.531 5.271 5 40 JKBB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc([N+](=O)[O-])c1C 1867457 LIYPTAQNUAQEGB-UHFFFAOYSA-N 472.613 6.717 5 40 JKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)c(C)nc32)c1 2230994 CWPISFUDNGUSFS-LJQANCHMSA-N 459.553 5.818 5 40 JKBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 2407060 WYTFBWXOCIDOJZ-UHFFFAOYSA-N 482.371 5.325 5 40 JKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1C(=O)c1ccc(C(=O)c2ccccc2)cc1 3216975 FSVKEBZQHVXXGQ-UHFFFAOYSA-N 492.556 6.769 5 40 JKBB CC(=O)N(C(C)=O)c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 3845330 BEVKXUSIODDZJU-WXUKJITCSA-N 471.469 5.743 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 8919986 ITULKGOXXIATSN-SGTLLEGYSA-N 478.412 6.389 5 40 JKBB Cc1cc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1Cc1ccccc1 10722891 SIMKCZZUERJZSU-UHFFFAOYSA-N 478.548 5.047 5 40 JKBB O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 12834096 QXWRLXLCKNTYNA-UHFFFAOYSA-N 492.491 5.519 5 40 JKBB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 13101747 UXUQVHNRWJXLDA-UHFFFAOYSA-N 497.939 5.425 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc(C)c(O)c(-c4nc5ncccc5o4)c3)o2)c([N+](=O)[O-])c1 16269614 GLKXWPJLOFKSNH-UHFFFAOYSA-N 486.440 5.333 5 40 JKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@H](C)n5nc(C(F)F)cc5C)nc34)c12 22578954 FSZIXFVLTVMWAM-VIFPVBQESA-N 467.427 5.266 5 40 JKBB CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1ccccc1 408989496 KVOPCSWXCPRXIR-RUZDIDTESA-N 483.549 6.027 5 40 JKBB COCCOC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2)c2c1cc(O)c1ccccc12 8783627 VOFUHMOURAXHRI-UHFFFAOYSA-N 477.517 5.022 5 40 JKBB biogenic,in-vitro Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2CCC1=CCCCC1 9462108 XAUIOKPDKQYPPX-UHFFFAOYSA-N 484.003 6.195 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 10059809 OCHHDOHLDBNZDH-VXKWHMMOSA-N 459.893 5.221 5 40 JKBB C[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13015564 CFVHHRFOOZYTGF-AVOUXACISA-N 485.027 5.121 5 40 JKBB Cc1ccc(-c2c(C)sc3nc(CN(C)Cc4cc([N+](=O)[O-])ccc4Cl)[nH]c(=O)c23)cc1 95469907 APNZRPYNWWJCKK-UHFFFAOYSA-N 468.966 5.462 5 40 JKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 408609132 OFSCWOMWCTZHJP-UHFFFAOYSA-N 463.331 6.702 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408832116 PYBDJFSOHDDRDX-UHFFFAOYSA-N 460.471 5.854 5 40 JKBB CCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409137137 WMIAOLJMDYCUIN-UHFFFAOYSA-N 451.573 5.827 5 40 JKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409164626 LEODAQUUBYRMFQ-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=[N+]([O-])c1ccccc1Cn1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc21 409264139 PDBLTOXGXRMZBA-UHFFFAOYSA-N 456.527 5.854 5 40 JKBB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3cc(Oc4cccnc4)cc([N+](=O)[O-])c3)cc12 711397 AVMQBJVORZBGIB-UHFFFAOYSA-N 492.535 6.654 5 40 JKBB CC(C)(C)c1ccc(C[C@H]2CCC[N+](Cc3ccccc3)(Cc3ccc(C(C)(C)C)cc3)C2)cc1 4105064 JXZGMDYNCUEGNH-OSRRZMJMSA-N 468.749 8.451 5 40 JKBB COc1cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)ccc1OCc1ccccc1 9089409 GDRQCEVGXCAOAX-UHFFFAOYSA-N 491.547 7.215 5 40 JKBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NCc2ccccc2)cc1 13304863 ZEQOZTHGNBJUNH-UQQQWYQISA-N 481.508 5.251 5 40 JKBB COc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 16217194 SMRNUEMOGURGLW-GFULKKFKSA-N 495.495 6.386 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1 16610768 XDOGACSGHWBHGZ-AWEZNQCLSA-N 494.345 6.931 5 40 JKBB COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 18092278 SULSCULUKUIEES-UHFFFAOYSA-N 481.892 5.428 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)c([N+](=O)[O-])c1 20151011 LORWKBZJGHFNCV-XYOKQWHBSA-N 458.470 5.876 5 40 JKBB Cc1cc2nc3s/c(=C/c4ccc(-c5cc(Cl)c(C)cc5[N+](=O)[O-])o4)c(=O)n3c2cc1C 27527784 YNWZLXAREVMSKT-ZVBGSRNCSA-N 465.918 5.204 5 40 JKBB O=C(c1ccco1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 34107886 ODAXEJLETUYBIE-IOMAZRRQSA-N 472.457 5.533 5 40 JKBB C[C@@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 51330369 GGPSCMHZXCLZBZ-DYQPHHSUSA-N 468.513 6.550 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccccc3)o2)cc1 89857531 SNBSADXRKJDCBS-UHFFFAOYSA-N 490.932 5.838 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cccc2ccccc12 209534877 UCQINERVFBFHQU-OEAKJJBVSA-N 456.479 6.245 5 40 JKBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224196964 RIBAFUCCGRISNP-AREMUKBSSA-N 487.600 5.001 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F 224908578 HECPNSCMXQBRMT-DNQXCXABSA-N 473.533 5.405 5 40 JKBB Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] 224946921 YFFXMSYBNYQBIT-UHFFFAOYSA-N 478.302 6.240 5 40 JKBB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 253596852 WMMXFSVJARKOOK-DLQYFKQDSA-N 492.531 5.310 5 40 JKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 408576373 SVSQTVGOYFQNCZ-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB CCCc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)n[nH]1 408633281 XMCWGCFGCZHGOP-GZTJUZNOSA-N 476.967 5.688 5 40 JKBB O=C(Nc1cccc(O)c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409082720 MWNBJKWVWPFJIS-UHFFFAOYSA-N 461.477 6.435 5 40 JKBB Cc1cc(C(=O)Nc2c(Br)cc(Br)cc2Br)ccc1[N+](=O)[O-] 1497134 ZTJYPEDAVJSMHA-UHFFFAOYSA-N 492.949 5.443 5 40 JKBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)cc1 2212006 YOCXZRXBEPXZLB-UHFFFAOYSA-N 489.579 5.097 5 40 JKBB O=[N+]([O-])c1cc(Oc2ccc(Br)cc2)cc(Oc2ccc(Br)cc2)c1 3079288 VVWNCRVLYOSIHS-UHFFFAOYSA-N 465.097 6.704 5 40 JKBB Cc1cc(C)c(OCCNC(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c(C)c1 3666290 NFJUWTFTFRILRF-UHFFFAOYSA-N 488.462 6.140 5 40 JKBB C[C@H](CCc1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 8836071 HKNRWIJKSFKKAB-LJQANCHMSA-N 493.998 6.190 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9460962 IITDOBAEBYTCST-SFHVURJKSA-N 467.569 5.393 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 9983899 BTRYKVPGUJXMQD-UHFFFAOYSA-N 464.478 5.084 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)Nc3cccc(Cl)c3)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500046 SQBHUOXKKPWTOQ-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB CCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 19075490 OLZSMJYXJRSMGL-UHFFFAOYSA-N 465.458 5.056 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 20353314 SJTDXABTSRJYIX-HNNXBMFYSA-N 488.569 6.352 5 40 JKBB COc1ccc(C(=O)NCCCCCc2nc3ccccc3c(-c3ccccc3)c2[N+](=O)[O-])cc1 21548971 NFMRHOPJLIATSO-UHFFFAOYSA-N 469.541 5.961 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2[N+](=O)[O-])CC1 57315934 CQKABKOFZARSBE-UHFFFAOYSA-N 492.963 5.989 5 40 JKBB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)cc1 59474798 GFPGLULJNDBEBY-UHFFFAOYSA-N 478.555 5.496 5 40 JKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223377104 UYWISHQMMANCGH-WXVAWEFUSA-N 487.600 5.001 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224215463 ZVFUAJNQHHVJDY-ZEQRLZLVSA-N 456.527 5.735 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363845 IXNUILAFDTYPES-SDNWHVSQSA-N 474.925 7.351 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408566035 DPHHDATXJJDNAI-LJQANCHMSA-N 459.304 6.601 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1 408567237 QKOYTRACNAYTSK-XUCOSSOOSA-N 498.366 5.141 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(F)cc1 408572157 QRWMJYUWOIGOKS-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCOc1ccc(F)cc1 409053616 NQARTBCPXVLBNY-HAHDFKILSA-N 494.500 5.428 5 40 JKBB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409092511 WPGFKGBHAGPBPO-NDENLUEZSA-N 485.924 5.061 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(C)cccc12 869023 UCLYGDWVNZCIAM-UHFFFAOYSA-N 462.506 5.692 5 40 JKBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)c1 2252852 MASAYFQGIQPTPT-UHFFFAOYSA-N 497.942 5.003 5 40 JKBB Cc1ccc(-c2nn3c4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4nc3c3ccccc23)cc1 6079580 MVYXQDQNGSQJKJ-UHFFFAOYSA-N 478.577 6.120 5 40 JKBB CCOc1ccc(-n2c(SCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)nc3ccccc32)cc1 8685087 QCNMBACPPXGFDD-UHFFFAOYSA-N 492.557 5.380 5 40 JKBB COc1ccc2c(C)cc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)nc2c1 9662058 GVTYFXYJHMXSLK-UHFFFAOYSA-N 451.426 5.210 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(Cc5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1 10120111 HROAKHPLMVPVIL-UHFFFAOYSA-N 469.453 5.848 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20611212 TXTYJSJHUXDJRF-UHFFFAOYSA-N 484.560 5.442 5 40 JKBB O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2 22572901 WVYMMABOWVFYNN-FQEVSTJZSA-N 463.902 5.335 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1 22744287 DVTUQKGSZQCJPR-UHFFFAOYSA-N 486.572 5.997 5 40 JKBB O=C1/C(=C\Nc2cccc([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 105903677 PSFBDJFQHWODCA-AQTBWJFISA-N 453.376 5.254 5 40 JKBB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCCC3)cc2)C1 225537271 MKSUAUWGOCWRGV-VXKWHMMOSA-N 479.621 5.792 5 40 JKBB CC[N+](CC)(Cc1ccccc1)C[C@@H](O)COCCOc1ccc(C(C)(C)C)cc1C(C)(C)C 226070060 RMTWXAVQBGQIFW-AREMUKBSSA-N 470.718 6.095 5 40 JKBB O=C(CCCCCCCCCCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] 408721801 YZNBIBAPWSFRIS-UHFFFAOYSA-N 470.526 5.981 5 40 JKBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 408756758 JIMLJCPEQXHSBD-UHFFFAOYSA-N 487.309 6.287 5 40 JKBB CC1(C)C[C@H](C(=O)CCC(=O)NC2CCCCCC2)[C@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643587304 AQUCXMOTGKSQMP-BJKOFHAPSA-N 494.636 5.768 5 40 JKBB O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 2054948 UYZFFXIICAPOJB-CQSZACIVSA-N 456.635 5.152 5 40 JKBB Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1[N+](=O)[O-] 3335537 KIXDFYQXDMEGFH-UHFFFAOYSA-N 492.586 5.129 5 40 JKBB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 5927836 UCNOXIMJTWQJNP-UHFFFAOYSA-N 462.449 6.416 5 40 JKBB O=[N+]([O-])c1cccc(Cl)c1Sc1nnc(Sc2c(Cl)cccc2[N+](=O)[O-])s1 8431047 IUYCNTADYKRJFV-UHFFFAOYSA-N 461.333 5.964 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccccc2)cc1 11196576 RCZHTKUKVBYCGR-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(C)cc2)c1C 13424294 SWTOEBDRECGIRY-UHFFFAOYSA-N 487.921 5.218 5 40 JKBB O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13946041 OQZMYWLBUUYKBS-UHFFFAOYSA-N 455.495 6.062 5 40 JKBB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 14278082 JEVZEXYQEMHQBV-UHFFFAOYSA-N 486.528 5.363 5 40 JKBB O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22572884 DTUMUYFXXQVJPD-UHFFFAOYSA-N 463.843 5.383 5 40 JKBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 35167593 FIFCNKLGGVAXQE-BQYQJAHWSA-N 457.118 5.437 5 40 JKBB C[C@@H](NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2 35200738 RATGRQCAHPTIEE-ZJRYTYELSA-N 453.564 5.064 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1 106681311 OEKPJCXWXWIZLQ-OYKKKHCWSA-N 469.522 5.834 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)C2=O)cc1 106702640 OSVBTCOALUHDIJ-QFEZKATASA-N 483.549 6.143 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223841413 ROGYTNZJJMSZNA-JWQCQUIFSA-N 486.553 5.826 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408693632 BGCPQYBGXMBSAB-UHFFFAOYSA-N 472.263 5.541 5 40 JKBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408906500 CBCKVYZTSHFJLZ-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 409177345 FAQFPKXZTVXDBB-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)c1ccc(Cl)cc1 409345008 JZMBLHHHZBMRBN-RGVLZGJSSA-N 468.874 5.427 5 40 JKBB CC(C)(C)c1ccc(C(=O)CCC[N+]2([O-])CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 1570001183 PFOUEGNOVHBNHS-UHFFFAOYSA-N 485.668 7.230 5 40 JKBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 2246333 KVPQRVATDRWTNT-UHFFFAOYSA-N 481.943 5.053 5 40 JKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2400487 ZMBJQMJWGZEKLO-UHFFFAOYSA-N 462.351 5.092 5 40 JKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2439527 UFJDUJGXXOGFET-UHFFFAOYSA-N 465.479 5.657 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc3c(c2)OCO3)cc1/C=C\c1ccc2c(c1)OCO2 8654947 NGMRWNUPBHUVGP-SOSXVSKCSA-N 460.398 5.301 5 40 JKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 59567836 AHDGQRUSSKAGMG-UHFFFAOYSA-N 469.457 5.158 5 40 JKBB O=C(O)c1cc(-c2cc(Cl)ccc2OCc2c(F)cccc2Cl)nc2ccc3ccccc3c12 59639315 GHVKASUTHAZNLX-UHFFFAOYSA-N 492.333 7.778 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 102095915 HFHUIYUGICJXBJ-UHFFFAOYSA-N 463.834 5.062 5 40 JKBB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223433591 YJDLXXSJXAJMPE-CUNXSJBXSA-N 487.600 5.001 5 40 JKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225726172 LBGZDRSCKVKESQ-MGPUTAFESA-N 480.392 5.166 5 40 JKBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(-c2ccccc2)cc1 408617121 BTBSEKFGRXUKLF-UHFFFAOYSA-N 461.857 6.215 5 40 JKBB O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1 408755812 FTUNKFCGHRHQGI-UHFFFAOYSA-N 493.906 7.099 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(F)cc4)c(CC)nc32)cc1 2419757 YNNMHYGFUFAVMX-UHFFFAOYSA-N 477.543 5.596 5 40 JKBB CCn1c(CSCc2c(Cl)cccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 3134829 CHOUNABRQFDGMM-UHFFFAOYSA-N 469.419 6.239 5 40 JKBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)cc1 6245564 RISORDFZHWYFAY-UHFFFAOYSA-N 489.557 5.102 5 40 JKBB Cc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)no2)cc1[N+](=O)[O-] 8873128 QGGYWLUMDHPCBF-UHFFFAOYSA-N 456.502 6.170 5 40 JKBB O=[N+]([O-])c1cc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccc1N1CCOCC1 9011898 AJDROYOENRJEDE-UHFFFAOYSA-N 461.909 5.439 5 40 JKBB COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1Br 9088458 NYVSCLIPJMBIGP-UHFFFAOYSA-N 464.319 6.398 5 40 JKBB CC(C)(C)OC(=O)NCC1CCC(C(=O)Oc2cc3oc(=O)c4ccccc4c3cc2Cl)CC1 9234168 FBVMHQYLXVTJPK-UHFFFAOYSA-N 485.964 5.836 5 40 JKBB CC(C)C(=O)Oc1cn(-c2ccc3c(c2)OCCO3)c2nc(C(C)C)n3c4ccccc4nc3c12 9243439 USYJGBYSMAIXLY-UHFFFAOYSA-N 470.529 5.282 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 10059818 JOMQRDYDSJCWSE-FCHUYYIVSA-N 459.893 5.221 5 40 JKBB CCN(CC)c1cccc(O[P@](=Nc2ccccc2[N+](=O)[O-])(c2ccc(C)o2)C(C)(C)C)c1 12491904 BBAQMEQDCBNJBZ-MGBGTMOVSA-N 469.522 7.293 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 14920334 MUSCJXZNWNRCOK-CRDCFYADSA-N 470.549 9.486 5 40 JKBB COc1ccc(-n2c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)nc3ccccc32)cc1 15911848 SOLWLMXMNITFAA-OAHLLOKOSA-N 478.530 5.070 5 40 JKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 59294621 COZQGSXPABADCA-FYWRMAATSA-N 464.481 6.358 5 40 JKBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 222986318 QBOHRUKXYBWKIS-FCHUYYIVSA-N 452.536 5.031 5 40 JKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224914303 XEKKVNCJPTZESM-OAHLLOKOSA-N 498.432 5.078 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703423 FVDIMBKMJCHBME-XMMPIXPASA-N 497.960 5.283 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(Cl)cc1 409155887 RIMXQOBGTDFEKQ-YBFXNURJSA-N 483.889 5.183 5 40 JKBB COc1ccc(OC)c(/C=C/c2cc(/C=C/c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 1714442 NCPLDOOQUOIPTK-KQQUZDAGSA-N 492.484 5.878 5 40 JKBB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccccc2)cc1[N+](=O)[O-] 3272933 NJYCARXDYYBRGG-SANMLTNESA-N 486.553 5.230 5 40 JKBB O=C(/C=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)NCCc1c[nH]c2ccccc12 12961203 CALGIUMZIRCWKZ-SDQBBNPISA-N 477.973 6.253 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc3ccccc23)cc1/C=C/c1cccc2ccccc12 16926357 RGHATJSZJXJOTP-YTEMWHBBSA-N 472.500 8.150 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 18193036 JCVZVRPNVXYFEL-SDNWHVSQSA-N 485.883 6.968 5 40 JKBB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19928760 SZDMWYDYYVGMIH-UHFFFAOYSA-N 458.714 5.071 5 40 JKBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccc(Cl)cc1 59505865 MBBWRETWLRRIIR-UHFFFAOYSA-N 455.948 6.403 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214169925 JWAKMXOAIIFMNL-RGVLZGJSSA-N 497.916 5.681 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 247353677 CRYDTGWOULSLPD-STOJIQEYSA-N 460.961 7.124 5 40 JKBB CCC(=O)Nc1cc(OC)c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl 409181953 HCHBFFYVBKBOIT-DEOSSOPVSA-N 496.903 5.386 5 40 JKBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2323278 OHUQKKDPLDUMMJ-UHFFFAOYSA-N 477.524 5.031 5 40 JKBB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1Cn1cc([N+](=O)[O-])cn1 8683168 ZNSBRMJPBHTYBL-XMMPIXPASA-N 489.919 5.273 5 40 JKBB aggregator Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9144617 BVRLTIPWNAGITB-UHFFFAOYSA-N 478.524 5.099 5 40 JKBB O=C1/C(=C\Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 12524367 XIYGMBVAYNMXRA-AQTBWJFISA-N 453.376 5.254 5 40 JKBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccccc1F 16228292 GBZGTJHZXQZSEY-UHFFFAOYSA-N 459.905 5.177 5 40 JKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1cccc(Br)c1 19792221 KNFNPAQGSGUUJU-UHFFFAOYSA-N 493.357 5.596 5 40 JKBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 20412573 BGNDOBSRJRXBRB-UHFFFAOYSA-N 496.951 5.065 5 40 JKBB COc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 33392835 HAAKENQTTZQNRC-UHFFFAOYSA-N 457.280 5.197 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccccc1F 106697602 XOYCCIQOZJFGCZ-CFRMEGHHSA-N 487.512 5.973 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224881346 KMORXUVTJRITEM-XZOQPEGZSA-N 492.944 5.786 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 408581581 JCRHFPTYLRYCFH-UHFFFAOYSA-N 478.452 5.118 5 40 JKBB O=[N+]([O-])c1ccc(COc2c(Br)cc(Br)cc2CNc2ccccc2)cc1 409112884 MGPMHYYIVYYREF-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 409180668 YAAUJLLUUMVYSI-UHFFFAOYSA-N 461.477 6.229 5 40 JKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 409199040 AUKAUVHUDXZYTB-JCMHNJIXSA-N 496.997 6.678 5 40 JKBB CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc(Br)c1OCC 1792663 XUDYZVXDEXJWPE-PXNMLYILSA-N 495.713 5.153 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccc(C2CCCCC2)cc1 2110729 PYEFTMQWWUHIPW-UHFFFAOYSA-N 492.597 7.108 5 40 JKBB COc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1Cl 2253932 XSQJTZWSSDFENT-UHFFFAOYSA-N 476.836 5.114 5 40 JKBB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 3349980 AISJPKWTEVXKLM-AWEZNQCLSA-N 465.893 5.560 5 40 JKBB COc1ccc(CN2C(=O)/C(=C/c3ccc(C(C)C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 3503823 PLFWOUKYDYSBTO-ZVHZXABRSA-N 456.498 5.450 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1cccc(Cl)c1 9233807 ILDMPACULLNNSY-OEAKJJBVSA-N 472.953 6.321 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 9670639 IIDWVDZZHJKRLW-NSHDSACASA-N 459.350 5.059 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 10060336 SSSIKNJYRHICSS-FGZHOGPDSA-N 459.893 5.221 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)o1 13371653 AEIIUNVCKXRHDM-UHFFFAOYSA-N 480.476 6.497 5 40 JKBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 13645497 ZFYLJBAUCDTSBB-MFOYZWKCSA-N 463.660 6.160 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Cl)c2C)cc1 14413146 FNUAJVKUBTXQHE-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 39435890 PBIFZEZLWSEZDR-UHFFFAOYSA-N 461.861 6.013 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 106707376 NZDSDJDSHGSSKQ-XKZIYDEJSA-N 496.997 6.944 5 40 JKBB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 409197896 RLOVIKCXJDEVRP-UNOMPAQXSA-N 465.918 5.492 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccc([N+](=O)[O-])c1 2219897 ZRSLSIDFGCJHNT-UHFFFAOYSA-N 454.236 5.123 5 40 JKBB COc1ccc(CCn2c(-c3ccccc3Cl)nc3oc4ccccc4c(=O)c3c2=O)cc1 2236417 SDAVFQDAVPFOTF-UHFFFAOYSA-N 458.901 5.075 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccccc1 2663056 WCRZZSYFHPGVDV-IBGZPJMESA-N 497.989 6.315 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4113418 XVNLDAHYGUOZCH-QOEFQVSFSA-N 450.491 5.013 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N[C@@H](C)c4ccccc4)nc2c31 8878789 WFVIHXRZQAIZES-INIZCTEOSA-N 477.520 5.100 5 40 JKBB biogenic O=[N+]([O-])c1ccccc1N[C@@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 8932186 WDSSYUJOPPDESE-RUZDIDTESA-N 460.426 7.057 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 9064843 HKUUIGJZWWVKDC-SOFGYWHQSA-N 462.314 5.688 5 40 JKBB C[C@H]1CCCCN1c1c(F)c(N2CCC[C@@H](C)C2)c2c(=O)n3c(nc4ccccc43)sc2c1F 12417780 FCYJNTRCGZYKFT-CVEARBPZSA-N 482.600 5.956 5 40 JKBB CC(C)NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 44087831 UQLLEVLJICCKDY-UHFFFAOYSA-N 464.469 5.083 5 40 JKBB CC[P@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1c(C)nn(-c2ccccc2)c1C)C(C)(C)C 89272270 VDLLUSDKYUKVDI-YTTGMZPUSA-N 454.511 6.383 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223911426 NJRJIWMBYGOTBH-LOSJGSFVSA-N 485.569 5.493 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 224482585 NCRIPZPOVUDLAS-DHIUTWEWSA-N 476.945 6.080 5 40 JKBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225614755 JEAMLFBYRAENCM-OAHLLOKOSA-N 498.432 5.077 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1 408565343 BTBKPGNGLKYMOG-NRFANRHFSA-N 485.367 6.861 5 40 JKBB CCCN1C(=O)c2cccc3c(-c4ccc(Br)cc4C)c([N+](=O)[O-])cc(c23)C1=O 408755775 FLGDJZUZYFDUKP-UHFFFAOYSA-N 453.292 5.492 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409184174 XSTVWBQNCBFLLX-UHFFFAOYSA-N 470.437 6.242 5 40 JKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1 2254031 MAPMUDIWNFLABO-UHFFFAOYSA-N 481.943 5.302 5 40 JKBB Cc1ccc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)c([N+](=O)[O-])c1 8444386 NVTHZAJTMGEYJK-UHFFFAOYSA-N 462.303 6.133 5 40 JKBB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9589037 QMODTSBYGHXEJC-LBPRGKRZSA-N 498.615 5.493 5 40 JKBB O=C(c1ccccc1)c1ccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])c1 9670641 ZAGCNLLJCOGPGA-SFHVURJKSA-N 495.461 5.271 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 13634657 GJIMZCRNDFWIFS-LAJGZZDBSA-N 493.519 6.025 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 32125194 AIIBNFSUIPMUPA-ZDUSSCGKSA-N 484.339 7.476 5 40 JKBB Cc1c(O)ccc2c1oc1c(-c3ccc4c(c3)OCCO4)c3c(O)nn(C4CCCCCCC4)c3nc12 79494276 BPJXETBIZIXHMI-UHFFFAOYSA-N 499.567 6.774 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214990005 QHRFJGKNKAAFDR-LPYMAVHISA-N 464.474 5.549 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223998063 DQBUQQFDGTZMDF-RPBOFIJWSA-N 499.552 5.385 5 40 JKBB Cc1ccc(-c2ccc(/C=C(\Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)o2)cc1[N+](=O)[O-] 408634415 QXAYZKHMINBRRH-ODLFYWEKSA-N 482.905 5.820 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409356160 FHKOPDQPPAYIJF-YDZHTSKRSA-N 492.484 5.232 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3ccc(Cl)cc3)nc2N1 940775 OSRKYYYRTBOFFR-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB CC[C@]1(C)Cc2c(sc3nc(SC)n4c(SCc5ccc([N+](=O)[O-])cc5)nnc4c23)CO1 1842654 KVFYHPUSSLCXLQ-OAQYLSRUSA-N 487.632 5.503 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)C[C@H]1C 6471761 NCHNEVSGMLXTGB-JIPXPUAJSA-N 485.584 6.688 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)sc2c1CC[C@@H](C)C2 8753731 QFELLHJUBAJUHQ-CYBMUJFWSA-N 484.530 5.479 5 40 JKBB CC(C)(CNc1nc2ccc([N+](=O)[O-])cc2s1)CNc1ccc([N+](=O)[O-])c2cccnc12 9197378 FANJCJHEFHVMEZ-UHFFFAOYSA-N 452.496 5.211 5 40 JKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(CCC(c3cc(C)ccc3C)=NN2c2ccccc2)S1 9348378 HNBUVTZLCQQPBK-MHZLTWQESA-N 499.596 6.026 5 40 JKBB O=c1[nH]/c(=C\c2c3ccccc3cc3ccccc23)c(=O)[nH]/c1=C\c1c2ccccc2cc2ccccc12 16525777 ZTWMLAIUDTVINX-CDSIFPFTSA-N 490.562 5.334 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1cccc2ccccc12 408564964 ATUBQHXHOAWWDA-SANMLTNESA-N 466.537 6.707 5 40 JKBB CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565152 IBVSSWMHGPOJOX-FMNCTDSISA-N 498.366 5.094 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 408609059 NRMVQZWAEFUOJC-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2304224 DNFZDZXWFLDDSM-UHFFFAOYSA-N 467.573 5.419 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)c1)OCOC2 3407026 XETYBPPSKWGPRA-UHFFFAOYSA-N 453.954 5.384 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12)N(c1ccccc1)c1ccccc1 8445982 XXVYHGALXSHYTG-UHFFFAOYSA-N 497.623 7.907 5 40 JKBB Cc1cc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)ccc1[N+](=O)[O-] 8895436 LWCSIBOQNJUJPB-UHFFFAOYSA-N 458.499 5.531 5 40 JKBB CCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 8974115 GOILUBINADBFPK-UHFFFAOYSA-N 496.541 5.950 5 40 JKBB COc1ccc(Cn2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)c(OC)c1 9124232 DNORCDLLYWKAFS-UHFFFAOYSA-N 486.572 5.588 5 40 JKBB Cc1nn(-c2ccc(F)cc2)c2c1cc(S(=O)(=O)c1ccccc1)c1nc3ccccc3n12 13150350 OSJRSFYKOCFCTL-UHFFFAOYSA-N 456.502 5.107 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccccc3Cl)C(=O)N=C2O)[C@H]1CCC 16956839 SGWKIXWUNBOLGB-BWKNWUBXSA-N 498.967 5.689 5 40 JKBB CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)[C@H]1CC 17028456 BXYJUGBSFJFRSE-YKSBVNFPSA-N 484.940 5.217 5 40 JKBB CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 40139121 GQKZNSAFWGCZJD-UHFFFAOYSA-N 459.808 5.866 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1)Nc1nccs1 44087358 LYBXLSXLWFCLJD-UHFFFAOYSA-N 471.951 5.288 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)cc1 57314022 XAXJUCQCTWDSIA-UHFFFAOYSA-N 486.528 5.900 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(C)cc2)cc1 112254836 IKIJWOYARQODTJ-TUJIQRHUSA-N 476.532 5.635 5 40 JKBB COc1ccc(-c2ccc(C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)c([N+](=O)[O-])c1 226363313 YUGCWQZZZHSXTF-UHFFFAOYSA-N 478.913 6.960 5 40 JKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccc(C)cc1 409170337 UWRAEYRYVDCXFL-UHFFFAOYSA-N 494.602 5.344 5 40 JKBB COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] 409330172 JXMXSNOFEFXAPN-HHHXNRCGSA-N 465.509 5.969 5 40 JKBB Cc1cc2nc3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])c(Cl)cc5Cl)o4)c(=O)n3c2cc1C 409391527 IKGCGQHGVADUCG-SCDVKCJHSA-N 486.336 5.549 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccncc4)n3-c3ccc(Cl)cc3)c1)OCOC2 3304374 WGWKOMPYQDUJOT-UHFFFAOYSA-N 481.921 5.050 5 40 JKBB COC(=O)c1cc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc([N+](=O)[O-])c1 3426293 GHCOVGMGXXCLDQ-HXUWFJFHSA-N 477.904 5.078 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1sc2c([N+](=O)[O-])cccc2c1Cl 8814652 KYZAASBXAGYRAC-UHFFFAOYSA-N 483.899 6.724 5 40 JKBB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 8833303 PSWDWPXPJHARAK-QPJJXVBHSA-N 476.341 5.996 5 40 JKBB CC(=O)N(c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1)c1c(C)cccc1C 13002243 HBRLOFBOGXTDTN-JXMROGBWSA-N 450.545 6.133 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14269427 XEVKRVHYJBGWTG-UHFFFAOYSA-N 469.828 5.654 5 40 JKBB Cc1ccc([P@@](=Nc2cc([N+](=O)[O-])ccc2Br)(Oc2ccc(F)cc2)C(C)(C)C)o1 15634662 SEIWCPMOAATVIB-SSEXGKCCSA-N 495.285 7.349 5 40 JKBB CCc1ccc([C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cccs2)cc1 29429282 PEHGGHGFCAHXMA-MHZLTWQESA-N 452.579 5.684 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)o1 41091671 AHJGGOLTSLBMAR-UHFFFAOYSA-N 455.495 6.692 5 40 JKBB COCc1cc(C)nc2sc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(N)c12 78546899 ZXBSLEGESKKQEK-UHFFFAOYSA-N 457.895 5.386 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(C)cc1 102529261 PZVGAAKPGLKPPG-KCWXNJEJSA-N 481.552 6.863 5 40 JKBB O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 138839471 UHPPXIHCOSIWHP-SSVHHLKVSA-N 482.923 5.672 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 408571957 QBMROLMQFNOAHL-XMMPIXPASA-N 494.548 5.413 5 40 JKBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3o2)C(=O)O)cc1 408634072 OOZSDZPTFIHPGM-FYJGNVAPSA-N 464.524 6.413 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 408756971 KYDXLMSQRNJBHS-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 409177674 HTJYAGZXBTZOLJ-UHFFFAOYSA-N 475.284 5.276 5 40 JKBB Cc1cc(C)cc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(Cl)c2)c1 2373443 IWCGUYLMPJAWMN-UHFFFAOYSA-N 451.917 5.543 5 40 JKBB O=C(COC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12)c1cccc([N+](=O)[O-])c1 2776135 FRWWUFXLEADIBZ-UHFFFAOYSA-N 461.433 5.378 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 8831998 HTPKGCMVIWQYTI-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB Cc1c(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cccc1[N+](=O)[O-] 8832118 CVGMNJZHXAPGMJ-UHFFFAOYSA-N 457.873 6.770 5 40 JKBB CCCCC(=O)Oc1cn(CCc2ccccc2F)c2nc(CCCC)n3c4ccccc4nc3c12 9124275 JPVMAUAREQKOMG-UHFFFAOYSA-N 486.591 6.657 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] 10021420 VQBOEUPJCCFSKN-UHFFFAOYSA-N 497.939 5.425 5 40 JKBB CCCCN[C@@H](c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1 12420144 GTRYXZDJZOWIHS-QHCPKHFHSA-N 488.613 6.553 5 40 JKBB COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)n2)cc1 13075603 DVXOFPRZZOVSQK-UHFFFAOYSA-N 452.536 5.360 5 40 JKBB Cc1nn(Cc2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)c(C)c1Cl 13643954 JYKIKECKJOWQBH-UHFFFAOYSA-N 495.946 6.007 5 40 JKBB CC(C)OC(=O)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1 24522753 JPCJOTJLMDAYLB-NTCAYCPXSA-N 469.497 5.853 5 40 JKBB COc1ccc(-n2c(SCc3cc(=O)oc4ccc5ccccc5c34)nc3ccccc32)cc1 25424714 PNHDGPGXUAGDEA-UHFFFAOYSA-N 464.546 6.586 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224215606 ZVFUAJNQHHVJDY-DNQXCXABSA-N 456.527 5.735 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 226363347 UOACDABCQJKGIY-UHFFFAOYSA-N 462.914 7.260 5 40 JKBB Cc1ccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)o2)cc1[N+](=O)[O-] 408633710 LPYUIAKFTRBXBR-ODLFYWEKSA-N 483.889 6.084 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])S2)cc1 408778827 MAELRMGVLDQCFH-QARYAGPDSA-N 491.569 5.344 5 40 JKBB Cc1ccc(C)c(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c1 409019419 SIZSIRDQIIPUEW-UHFFFAOYSA-N 473.532 7.346 5 40 JKBB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409111163 BIMBSZNURPJYAI-UHFFFAOYSA-N 461.743 6.510 5 40 JKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4256560 ULVGFEATHTYCFP-UHFFFAOYSA-N 475.244 5.314 5 40 JKBB COC[C@H](C)n1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2-c2ccc(OC)cc2)c1C 9739872 LCGXDCUIJMSQPO-KRWDZBQOSA-N 452.507 5.158 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 16688464 OQNWRSDDPUESAB-UHFFFAOYSA-N 490.387 6.081 5 40 JKBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](C)c1cc([N+](=O)[O-])ccc1OC)CC2 62591857 NEPSKJNASROUDR-MRDQGFSESA-N 491.544 5.039 5 40 JKBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225698402 RXNIGIUVPMQHHA-FOIQADDNSA-N 480.392 5.166 5 40 JKBB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 408694760 MHRXTXKVLXZNJK-UHFFFAOYSA-N 451.845 5.196 5 40 JKBB Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3ccccc3[N+](=O)[O-])n2)cc1 409175911 DPUNNHJZFKHAIB-UHFFFAOYSA-N 473.510 5.636 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)c([N+](=O)[O-])c1 409208466 CIMFVMAXFXWNCT-CIAFOILYSA-N 491.525 5.455 5 40 JKBB Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1864851 XGCFPXIHPBATRR-UHFFFAOYSA-N 456.323 5.212 5 40 JKBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 2055600 MPMLWYYOEVHYEX-UHFFFAOYSA-N 474.473 6.169 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 3190583 CGJAYMANLZQBIQ-UHFFFAOYSA-N 494.544 5.272 5 40 JKBB biogenic Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 12855897 FFGXABQJBAYEJN-UHFFFAOYSA-N 462.918 6.567 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 16611224 VCENMERFLUTICS-OAHLLOKOSA-N 474.542 6.043 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1 21595493 OJKXFCPYGAMEIX-UHFFFAOYSA-N 456.502 5.892 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102608725 XZSUPGBXGGWUIL-NDEPHWFRSA-N 481.552 6.630 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl 106716208 GPSYKEZXNRCBQO-WCSRMQSCSA-N 478.140 6.445 5 40 JKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(Br)cc1 214907111 BSUGFMSOJNXLHY-OEAKJJBVSA-N 474.379 6.992 5 40 JKBB Cc1sc2nc(-c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)nc(O)c2c1C 408988866 GETORVOLOIGCCJ-UHFFFAOYSA-N 466.544 5.320 5 40 JKBB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409118866 QOOCWOGLBINJQT-UHFFFAOYSA-N 471.351 6.256 5 40 JKBB COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1[N+](=O)[O-] 409169239 VZYMRMNIMVZGNA-NDEPHWFRSA-N 479.536 6.278 5 40 JKBB COc1ccccc1-n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2214200 HAQOERJEHWGIDO-UHFFFAOYSA-N 461.525 5.207 5 40 JKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 2428939 ZARRGZASXIWIAU-AWEZNQCLSA-N 462.351 5.326 5 40 JKBB COc1ccccc1-n1c(SCc2ccc(Br)cc2)nc2cc([N+](=O)[O-])ccc21 3202074 DGGHDLPPDSMDCP-UHFFFAOYSA-N 470.348 5.997 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 8831040 QENUQSFCWNXPQD-UHFFFAOYSA-N 460.515 5.455 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc(OCC)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9293022 GRRNMOOOTZQXAZ-UHFFFAOYSA-N 456.546 5.883 5 40 JKBB Brc1ccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)cc1 10372575 DZTIVJCFHWIKCA-UHFFFAOYSA-N 489.210 8.247 5 40 JKBB Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cccc1-c1nc2ncccc2o1 13946341 RPZKACSDSHMPOE-UHFFFAOYSA-N 474.860 6.272 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)cc1Cl 22576337 XGEBTPRNZRAVKM-CSKARUKUSA-N 465.918 6.592 5 40 JKBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)cc1)=NCC2 35623014 DIKHCPSMIFSZKZ-UHFFFAOYSA-N 474.517 5.152 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 36020242 MUSCJXZNWNRCOK-OWDCXRFMSA-N 470.549 9.486 5 40 JKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224453830 MYGNEJMCBVJSLM-OAQYLSRUSA-N 492.403 5.310 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl 408565198 IUFFDZAGLPGUAP-XUCOSSOOSA-N 498.366 5.141 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 408647149 WLJXSNMGSPAEPE-GOSISDBHSA-N 475.501 5.004 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl 409176382 MBCCNBRYYKJKLF-RUZDIDTESA-N 480.904 5.443 5 40 JKBB O=C1N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1c1ccc(Cl)cc1 409236254 FSFKALOPSDVZRN-BUVRLJJBSA-N 499.910 6.078 5 40 JKBB O=C(OCc1ccc(Br)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1846578 SYXXQPBFUZNYSD-UHFFFAOYSA-N 489.303 5.774 5 40 JKBB O=c1c2ccccc2nc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 8431839 HPIRKNYNOGTJNZ-XMHGGMMESA-N 498.542 6.467 5 40 JKBB COCCOc1cc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 8855319 RRRPBZDDMDZDEH-UHFFFAOYSA-N 483.329 6.033 5 40 JKBB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 9847130 ZZGYJJGPCMEIOW-UHFFFAOYSA-N 490.951 5.369 5 40 JKBB Cc1ccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12528797 IYGVXQVWZLAYDU-UHFFFAOYSA-N 495.782 5.715 5 40 JKBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12600088 OOYAQZXLNSFEJO-RYUDHWBXSA-N 456.757 6.290 5 40 JKBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(C4CCCCC4)cc3)cc2[N+](=O)[O-])C1 12660339 LEZAINMZBDRYKA-WOJBJXKFSA-N 478.589 6.165 5 40 JKBB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 21005499 PXKKIHMUKRXSNO-QFIPXVFZSA-N 459.893 5.526 5 40 JKBB COc1ccc(/C=C2/CN(C)C[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)cc2)cc1 51330355 WGMNVNHAENLSHC-URTCLCKGSA-N 484.556 5.175 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4cc5ccccc5oc4=O)cc3)cc2[N+](=O)[O-])CC1 59294252 UEFNTAOZUKMGOR-UHFFFAOYSA-N 483.524 5.857 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1Cl 106734701 HOQIXGLEOIUSBG-JJFYIABZSA-N 498.919 6.203 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1[N+](=O)[O-] 408669570 WWMJHBRWMYKLGT-VWQFJMCTSA-N 496.560 5.316 5 40 JKBB O=c1oc2ccc(Br)cc2cc1-c1csc(-c2cc3cccc([N+](=O)[O-])c3oc2=O)n1 2205912 CETFJCGFECCFPS-UHFFFAOYSA-N 497.282 5.361 5 40 JKBB COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Br)cc2)cc1 8926362 AOYVAGZQVMBYNP-UHFFFAOYSA-N 468.354 6.870 5 40 JKBB CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)c1 9046188 VVKUWVQIYWBNKH-OAQYLSRUSA-N 488.588 5.518 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 10035101 YRMHPKRKUXOERH-UHFFFAOYSA-N 455.495 6.692 5 40 JKBB CCC[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 12419491 WUKIAZWOZZWQRN-FQLXRVMXSA-N 478.548 6.941 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22757638 SALBWQIVASBMBT-UHFFFAOYSA-N 497.338 6.562 5 40 JKBB O=C(N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccco1)C(F)(F)F 102538409 MRHQHQDNGKUIQB-WNSKOXEYSA-N 497.429 6.300 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 102828792 MAIAMEYAADCASK-FGODQDRRSA-N 499.483 6.212 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224377903 DLCMXWGCJHAYBT-UIOOFZCWSA-N 483.597 6.081 5 40 JKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408995308 LYCMUJXLNSTRDX-XNFLFYSQSA-N 492.531 6.343 5 40 JKBB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1 902396 KWUUPGCKDMDLJR-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OCCC)cc1 2400825 BJMTZZLWCYLDPC-UHFFFAOYSA-N 497.599 5.739 5 40 JKBB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)cc1 6973786 VPBADSHDKSGXSO-UHFFFAOYSA-N 451.551 6.189 5 40 JKBB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 12861574 DHRPHNKXHQMAHS-NRFANRHFSA-N 472.364 5.005 5 40 JKBB CC(C)C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 16574957 MEOFDYBIGXNTQX-UHFFFAOYSA-N 462.458 5.021 5 40 JKBB CC1(C)C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 16577734 QASRUQBWIJSWCO-UUOWRZLLSA-N 498.540 5.031 5 40 JKBB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC 57313382 NNEOSDFUPIZWCH-UHFFFAOYSA-N 468.554 5.221 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 210808601 PSHBIAPSPWUTBW-BUVRLJJBSA-N 452.535 5.976 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccco3)cc2)cc1 224760232 OGRJKHNOMWPBGY-PKTZIBPZSA-N 474.567 5.911 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1 224887465 BALQOEMNPSHEND-GOTSBHOMSA-N 492.944 5.786 5 40 JKBB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1c1ccccc1 409326837 FECGAYZBGSGYLZ-AREMUKBSSA-N 469.928 6.614 5 40 JKBB Cc1cc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)ccc1Br 2213480 DJNZWLWKVVMXRB-UHFFFAOYSA-N 460.291 5.615 5 40 JKBB Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 2618342 WKQBYHKFXPHCSW-HNNXBMFYSA-N 494.960 5.375 5 40 JKBB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2661226 GBRNMVSIAXGKKW-ZDUSSCGKSA-N 469.910 5.208 5 40 JKBB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1Cc1ccccc1Cl 3309596 ZASYHBNPOFAACW-UHFFFAOYSA-N 471.991 6.300 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 6146752 CAACYGLLVKRWAJ-UHFFFAOYSA-N 494.554 5.080 5 40 JKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)Nc5ccccc5)nnc34)c2c2c1CCC2 9452105 KLMVWTDVMWQYAW-UHFFFAOYSA-N 488.642 5.305 5 40 JKBB COc1cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)cc1[N+](=O)[O-] 9544912 JMGDVXZWLUMPTM-UHFFFAOYSA-N 487.541 5.162 5 40 JKBB CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 13129419 WOWNSVQWBWAHAJ-UHFFFAOYSA-N 494.525 5.452 5 40 JKBB Cc1ccc(OCc2cccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)c2)c(C)c1 13643740 VDIVUTDHQXRSEJ-UHFFFAOYSA-N 465.582 6.367 5 40 JKBB C[C@H]1[C@H](C)CCC[C@H]1n1c(=O)c2ccc3c(=O)n([C@H]4CCC[C@@H](C)[C@H]4C)c(=O)c4ccc(c1=O)c2c34 20569790 AASLOMJBKLCZLF-OSLLGUARSA-N 486.612 5.060 5 40 JKBB CC1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229278 ZWDUNTTWRBZRCC-UHFFFAOYSA-N 452.736 5.499 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(C(F)(F)F)cc1Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1[N+](=O)[O-] 104092687 NVAIVPBZWLNGRV-UHFFFAOYSA-N 485.209 5.101 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Cl 214104821 DTHHWAKTRMPRQK-VXLYETTFSA-N 475.309 6.398 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224315622 RIZJRJGEFBRCBE-DQEYMECFSA-N 470.554 6.044 5 40 JKBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1 408559826 ZHHVWYMYCUKBQI-UHFFFAOYSA-N 489.937 5.008 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1 408565321 BQTUASPDLXWMBE-VWLOTQADSA-N 490.585 5.582 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(F)cc1 408575075 VYJPYSGNSMJMBW-QHCPKHFHSA-N 482.512 5.543 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 408725229 DOAISUOSXITPQC-GRSHGNNSSA-N 475.309 6.711 5 40 JKBB O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 3142889 XSBXRAOIMGPTMG-UHFFFAOYSA-N 477.432 5.996 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc(C)c(Cl)c2)c2nc(CCC)n3c4ccccc4nc3c12 9293117 MFEDRIOCKXLDGF-UHFFFAOYSA-N 460.965 6.446 5 40 JKBB CCCCn1cc(OC(=O)c2ccc(F)cc2)c2c1nc(-c1ccc(F)cc1)n1c3ccccc3nc21 9308241 GTOCPUDPVLGCJI-UHFFFAOYSA-N 496.517 6.802 5 40 JKBB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl)oc1ccccc12 9691208 WZUMMUGNXVCKKD-GFCCVEGCSA-N 468.849 5.340 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2nc3ccccc3s2)c1 9972122 GZFYVVVHZZRACH-FYWRMAATSA-N 467.506 6.783 5 40 JKBB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 10060355 AYVHQCQJMSUCMJ-PKTZIBPZSA-N 489.919 5.230 5 40 JKBB O=[N+]([O-])c1cccc(-c2cc(C3CCN(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)n[nH]2)c1 13398375 ANLKTRTXQJHMHV-UHFFFAOYSA-N 498.427 6.402 5 40 JKBB CSc1ccc(CN(Cc2ccc(SC)cc2)[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 32925380 VPUICQZXBVWLTH-JWQCQUIFSA-N 484.643 5.135 5 40 JKBB Cc1ccc(OCc2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1C 59474751 PXWXDJXHANHUDN-UHFFFAOYSA-N 485.569 6.145 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1 408571847 PRWPKQDZAZXSHL-VWLOTQADSA-N 490.585 5.582 5 40 JKBB COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 408573691 UDDATKIBTZPWNG-LJQANCHMSA-N 477.384 5.074 5 40 JKBB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 408599948 PJJNDVQOJLODAX-GRSHGNNSSA-N 491.363 5.629 5 40 JKBB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@@H]2C1 408675475 AWGNSTPVQPUERU-JWQCQUIFSA-N 481.508 5.360 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1C 409000935 ZBVXRLAHNBAELA-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 409206999 YFZNXCRJLWAGBV-LCUIJRPUSA-N 463.946 6.032 5 40 JKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1 409349555 QUWVZSWGDNJKSH-IDUWFGFVSA-N 480.329 5.193 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2308452 SOQHZNFCZZBMRX-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB O=[N+]([O-])c1c(Br)cc2c(nc(O)c3cc(Br)ccc32)c1Br 8649795 BKPCLEXGHYSZEA-UHFFFAOYSA-N 476.906 5.289 5 40 JKBB CC1(C)C[C@](C)(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Br)cc1 9071246 IRGYHNOZDUERRG-RUZDIDTESA-N 479.374 6.492 5 40 JKBB COc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 20183446 TXHUFWQYRLMTDL-UHFFFAOYSA-N 452.514 6.455 5 40 JKBB O=[N+]([O-])c1ccc(N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1 51330310 VDZWVYFOJVXKQV-PKODMZNJSA-N 478.379 7.703 5 40 JKBB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 57316100 OTZXWHMQTXQBOF-UHFFFAOYSA-N 462.325 5.277 5 40 JKBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 108520441 TWHRUEBSETZMFV-LWSSLDFYSA-N 475.342 5.345 5 40 JKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223782546 KYLAKQQKRBOBST-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F 224916932 ZLTASYFHRDQFNC-RPWUZVMVSA-N 474.517 5.874 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 409052014 FOYFWRCEKVGXTP-UHFFFAOYSA-N 464.434 5.685 5 40 JKBB COc1ccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)cc1[N+](=O)[O-] 409332172 CKYIZJUGQQXGFT-HZPDHXFCSA-N 483.571 5.185 5 40 JKBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2069074 MHGVPKOSOQMATC-MHWRWJLKSA-N 462.767 5.872 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2198678 ZWZLIHZHNBUPQW-UHFFFAOYSA-N 457.965 5.810 5 40 JKBB CCCCOc1ccc(-n2cc(OC(=O)CCC)c3c2nc(CCC)n2c4ccccc4nc32)cc1 2436881 FZJJVSBMUWRSMZ-UHFFFAOYSA-N 484.600 6.663 5 40 JKBB O=[N+]([O-])c1cc(Cl)ccc1SCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 2617519 RGVORSBPJDEXLF-OAQYLSRUSA-N 492.778 6.911 5 40 JKBB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1C 9041316 RYEHHDCFUNAXMV-UHFFFAOYSA-N 491.569 5.513 5 40 JKBB CCCCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccc(OC)cc1 9283311 JYODFQSMWOHDEG-UHFFFAOYSA-N 466.523 5.004 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1[N+](=O)[O-] 14275694 DKJNYSYWPBKLPO-UHFFFAOYSA-N 476.514 5.155 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc(Cl)c1 16214789 RXFIJZDTSOMDRH-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C 22079688 SHPYLXGHROBKIW-UHFFFAOYSA-N 464.827 6.928 5 40 JKBB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 24771659 LIEUSZGAMFPWDU-LIRRHRJNSA-N 467.909 5.489 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215255631 BOFFXUYEFWPISZ-LPYMAVHISA-N 480.929 6.064 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 245227248 HXLDLGPOKADBKW-VZEFYGNVSA-N 466.793 5.890 5 40 JKBB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409062709 ZKMXZPWYTHPAOA-UNOMPAQXSA-N 491.363 5.773 5 40 JKBB COc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409183021 RKAUBEXKQCQNHQ-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB Cc1ccc(Cl)cc1-n1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 2249290 NSLKPPRHWYEJJB-UHFFFAOYSA-N 460.837 5.414 5 40 JKBB CC(=O)Oc1c(-c2ccccc2)n(C(C)=O)c2cc([N+](=O)[O-])c(/C(Cl)=C/c3ccccc3)cc12 3844805 OSXCWSPSRGIUPH-XKZIYDEJSA-N 474.900 6.539 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8899596 FCQCJNYGMLQCSI-UHFFFAOYSA-N 497.507 7.047 5 40 JKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12653370 LKYIMDDKDKNHPT-OKILXGFUSA-N 465.333 5.424 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(OCC(F)(F)C(F)F)c([N+](=O)[O-])c1 15231418 FXIKIBMEZMYKQU-UHFFFAOYSA-N 467.331 5.188 5 40 JKBB Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)CCCCC4)cc1C 17053315 AIWXIYHRAVOQQT-UHFFFAOYSA-N 475.570 5.056 5 40 JKBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 21596133 KPKFCJJCEHBGGR-ACCUITESSA-N 466.453 6.018 5 40 JKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103083258 KBVKFGRLMMDBOM-UYTDBDHRSA-N 499.548 5.875 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 214449261 HHOLDYWZYNJDPE-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)CC1=O 408646168 VSGILTSKDDXKSJ-FQEVSTJZSA-N 497.507 5.541 5 40 JKBB O=[N+]([O-])c1ccc2nc(Sc3ccc(-c4nc(O)c5c6c(sc5n4)CCCC6)o3)sc2c1 408989751 IUKWYIMRTIUONJ-UHFFFAOYSA-N 482.568 6.205 5 40 JKBB O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 409208723 CUQAWFCUUUFQEV-FSJBWODESA-N 489.940 6.492 5 40 JKBB O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1401453 YFQHOHHMTOZRTB-UHFFFAOYSA-N 476.354 6.739 5 40 JKBB COc1cc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 4352806 ABTFGJQQDPGNOA-VAWYXSNFSA-N 483.318 5.597 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3ccccc3c3nc4ccccc4n23)c(N2CCCCC2)c([N+](=O)[O-])c1 6446948 NPXYRELKYNRNNO-UHFFFAOYSA-N 468.473 5.509 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 8871115 DUTOPPMVQCBSBM-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12560168 KHVIVPPSMZMTCU-UHFFFAOYSA-N 459.428 5.042 5 40 JKBB CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509753 IKYYXTKHQFEDGB-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c1 22708173 UKTYSQHYLFMRHQ-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 35384515 TWKCKOZBPSOCMY-HKWRFOASSA-N 466.493 5.995 5 40 JKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2ccc(OC(F)F)cc2)c1 44088231 QILBHLAIPGRMMH-UHFFFAOYSA-N 453.470 6.341 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccc(Cl)cc3)cc2N1 72332703 XICJFWSZEKTRQH-VWLOTQADSA-N 485.931 6.039 5 40 JKBB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101147917 TZGJHJKWADXIOC-NXCFDTQHSA-N 479.492 5.108 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)cc2[N+](=O)[O-])cc1 106707258 VGNHRRDTNSYGIQ-UCQKPKSFSA-N 476.579 6.599 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 195529332 MFWWICBCDMOQEH-VLMPBXDWSA-N 480.590 5.421 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215256725 MHGRGRRXWGLILW-LPYMAVHISA-N 480.929 6.064 5 40 JKBB O=C(O)/C(=C/c1c2ccccc2cc2ccccc12)Sc1nnc(-c2ccc(Cl)cc2)o1 408631593 AAJJRUKOIJRCQU-HMAPJEAMSA-N 458.926 6.914 5 40 JKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)cc1 409184085 WQFIHMNJNBZWAY-UHFFFAOYSA-N 454.866 5.503 5 40 JKBB COc1ccc(-c2s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n(C)c2-c2ccc(OC)cc2)cc1 409197254 ZUSBYYWMNFSIIN-QPLCGJKRSA-N 475.526 5.087 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(OC)cc1 663017 HSWAFLLRHJMTGX-UHFFFAOYSA-N 470.503 5.078 5 40 JKBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1ccc(Cl)cc1)CC2 3006336 JJNZRAMFTQMXGG-QFIPXVFZSA-N 497.935 5.476 5 40 JKBB O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 3143806 JQBPXHSHWFMRSH-QOMWVZHYSA-N 477.520 5.272 5 40 JKBB COc1cc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC 10120216 XJJKOMUYFGAFSI-UHFFFAOYSA-N 483.864 5.335 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccccc2)cc1 11196735 KQNIASDIJALPJM-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 16688514 YOQDQZAGLWIHCG-UHFFFAOYSA-N 473.932 5.567 5 40 JKBB COP(=Nc1ccc([N+](=O)[O-])cc1)(OC)C1=C(N2CCOCC2)/C(=C\c2ccccc2)CCC1 32690928 AXIKMNGFPJGLPG-VZCXRCSSSA-N 483.505 6.362 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1C 408570901 MGMFSFXDYYWCBQ-RUZDIDTESA-N 492.576 6.021 5 40 JKBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2cc(Br)ccc2o1 408595202 LCRBCEHGZUAEQZ-UHFFFAOYSA-N 487.335 5.357 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccccc1 409106402 LYLIOMHTMVBOPI-UHFFFAOYSA-N 456.449 5.936 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 2992936 LSXJRLRIMXJTIY-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB CCCCCCN(CCCCCC)C[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 8603362 IUUPQDQLSMAILL-MUUNZHRXSA-N 484.522 8.252 5 40 JKBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCc1c(F)cccc1Cl 8792375 FWKYWPFVJJIYRN-UHFFFAOYSA-N 485.902 5.080 5 40 JKBB biogenic CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2c[nH]c3ccccc23)cc1 9127448 KJCNIYAAQOJHQD-OAQYLSRUSA-N 462.937 5.357 5 40 JKBB CCc1cc2c(=O)n(CCC(C)C)c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2s1 9284399 OVSKWSBWCIGJCG-UHFFFAOYSA-N 485.591 5.317 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nnc(Nc4ccc(OC(F)(F)F)cc4)s3)o2)cc1 9960600 YJWSRQCPDKQVLR-UHFFFAOYSA-N 496.452 5.431 5 40 JKBB CCOc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 12311919 GZPRXIRDYWWBOC-ZHZULCJRSA-N 463.877 5.287 5 40 JKBB Cc1nn(C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 12524176 OVWMIHJKTVMSQZ-UHFFFAOYSA-N 495.561 5.536 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 96298271 JRARFLXUKCVKRZ-QKDODKLFSA-N 491.503 5.313 5 40 JKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223782852 OPUCXQPATCPDGN-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC 1147427 XJYIYSYGKRYJTE-WQRHYEAKSA-N 462.911 5.282 5 40 JKBB Cc1c(OC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)ccc2c1oc(=O)c1ccccc12 2399415 LRBSQUNJRNFYIY-AREMUKBSSA-N 493.515 5.828 5 40 JKBB CC(C)(C)c1ccc(S(=O)(=O)/C(=C\Nc2ccc(Oc3ccccc3)cc2)[N+](=O)[O-])cc1 2561489 NAXDFQPMVIHCKS-QJOMJCCJSA-N 452.532 5.738 5 40 JKBB COc1cccc(NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)NC(=O)c2ccccc2)c1 3009951 UTBJOFZCOGVFAJ-BRPDVVIDSA-N 472.544 6.411 5 40 JKBB CCc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 6150850 YQYXWFNHGFWNMY-UHFFFAOYSA-N 476.378 5.265 5 40 JKBB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9790219 ODMNGIUIXNDVQN-LBPRGKRZSA-N 454.537 5.077 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(-c2nc3ccccc3s2)cc1 9972120 ZXWZXYFVWHDSMT-JQIJEIRASA-N 481.533 6.461 5 40 JKBB COc1ccc(NS(=O)(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1 13063427 JEWAPTUTXRVBFE-UHFFFAOYSA-N 473.557 5.165 5 40 JKBB CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 13509775 OPXNPHWZWNCLHD-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB CC[P@@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1c(C)nn(-c2ccccc2)c1C)C(C)(C)C 89272268 VDLLUSDKYUKVDI-JGCGQSQUSA-N 454.511 6.383 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917313 QXHVLICAVVPTRH-GRSHGNNSSA-N 485.861 5.653 5 40 JKBB CCN(CC)S(=O)(=O)c1ccc(Oc2nc(-c3cccs3)nc3ccccc23)c([N+](=O)[O-])c1 8824940 BGOVOWZWSXHXGC-UHFFFAOYSA-N 484.559 5.089 5 40 JKBB COc1ccc(CCn2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 9124154 JBBPXSAMLWCAMM-UHFFFAOYSA-N 470.573 5.773 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1cccc(Oc2ccccc2)c1 13095359 GRXCZYKFZXMZQT-UHFFFAOYSA-N 468.531 5.744 5 40 JKBB O=C(CSc1ccccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12)NCc1ccco1 13165026 HNEONBZDOLYWGZ-UHFFFAOYSA-N 499.544 5.305 5 40 JKBB Cc1c(O[C@H](C)C(=S)N2CCN(c3ccccc3)CC2)ccc2c1oc(=S)c1ccccc12 13593211 UCGQHEWKHRUFFS-LJQANCHMSA-N 474.651 6.541 5 40 JKBB CC(C)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2-c2nc3ccccc3s2)C1 16837201 HUUNHYHFXLOHGD-UHFFFAOYSA-N 468.560 5.545 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 223880827 VQCYRGUTTFWNHL-DHIUTWEWSA-N 458.499 5.133 5 40 JKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408576486 WCSZZLWISHWNFC-JJIBRWJFSA-N 482.923 6.659 5 40 JKBB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 408644235 SCUMVBOJMJCCSS-LJQANCHMSA-N 473.529 5.811 5 40 JKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 408819502 ZAVJJKPVATVIKT-UHFFFAOYSA-N 475.333 6.233 5 40 JKBB CC1(C)C[C@H](C(=O)CCC(=O)NC2CCCCC2)[C@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643587763 LUIQDUGXJWMLLI-XZOQPEGZSA-N 480.609 5.378 5 40 JKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2082079 JHJSSOGOHUWZTO-UHFFFAOYSA-N 472.715 7.023 5 40 JKBB CC(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 3269371 NJEITOBBBPDWQC-UHFFFAOYSA-N 474.542 5.148 5 40 JKBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)c1 6442696 YFNLMHDHCCGMKZ-UHFFFAOYSA-N 489.557 5.102 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccccc1 10059781 ICNKPEAPFTZAJC-SFTDATJTSA-N 459.893 5.221 5 40 JKBB COc1ccc(CSc2nc3ccccc3c(=O)n2C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 12371414 QUWPYCKBAYNWLL-UHFFFAOYSA-N 477.586 5.531 5 40 JKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 14275824 RPUHSHUVDQMQLT-UHFFFAOYSA-N 488.573 5.196 5 40 JKBB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 14277820 GPUHQFHOQZRPSB-UHFFFAOYSA-N 476.920 6.217 5 40 JKBB COc1ccccc1Nc1nc(Nc2ccc(Br)c3ccccc23)nc(C)c1[N+](=O)[O-] 16249511 QMCUKTFOEFEILF-UHFFFAOYSA-N 480.322 6.105 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 57316098 NYQARHRUWFJZTD-NRMKIYEFSA-N 493.585 5.818 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccccc1[N+](=O)[O-] 59474796 MJOHCPVKMCABOL-UHFFFAOYSA-N 464.528 5.188 5 40 JKBB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225537662 CAGRUAQKMNELLP-JOCHJYFZSA-N 479.621 6.079 5 40 JKBB Cc1c(-c2ccc(C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)cccc1[N+](=O)[O-] 226363343 JPZHKKHKFMHRJB-UHFFFAOYSA-N 462.914 7.260 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)cc2)cc1 409336289 NFVZXUXTZIWJSO-ODJAQANRSA-N 471.513 6.379 5 40 JKBB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 3170582 KPCVRYXPCAIGRR-HJPURHCSSA-N 463.921 5.781 5 40 JKBB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] 8832796 GRTATPWHAGCWIE-UHFFFAOYSA-N 488.569 5.639 5 40 JKBB Cc1c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 9192624 SFWIEVXXFIBSPO-UHFFFAOYSA-N 456.502 5.954 5 40 JKBB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060343 GORCOXUIUCBZQZ-XZOQPEGZSA-N 489.919 5.230 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc2ccccc2c1 13145847 FXTOWDBLEZWXCY-UCQKPKSFSA-N 456.479 6.245 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 14278047 DPUBCTJKCPISIQ-VZUCSPMQSA-N 491.931 6.840 5 40 JKBB O=C(OCc1nc(-c2ccccc2Cl)no1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 17528573 KCLMKMFGTSJFEC-UHFFFAOYSA-N 498.278 5.540 5 40 JKBB CCCc1nnc2sc(-c3cccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nn12 20609670 SFCRNLICRXTSTN-UHFFFAOYSA-N 498.977 5.834 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[N+](=O)[O-])cc1 32124621 YPZURCGIMIYYSB-XKZIYDEJSA-N 480.542 6.430 5 40 JKBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1 100187204 WJBNWJGIKUVPFI-UXUXNBJMSA-N 478.504 5.027 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 106728527 WNQKFBHLBWZKKN-UNOMPAQXSA-N 452.513 5.884 5 40 JKBB CCOc1cc(CNc2ccc(CC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409116879 MHQMDJJGLVKJTM-UHFFFAOYSA-N 485.378 6.510 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409181132 XKICAUKUKOPKRJ-UHFFFAOYSA-N 459.885 6.987 5 40 JKBB CCOc1ccc(-n2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2)cc1 2374807 SOQHXZBPTDXQCM-UHFFFAOYSA-N 461.525 5.039 5 40 JKBB Cc1cccc2oc3cc(NCCN(C)Cc4ccccc4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 8738611 NPQATMXJGKEPCE-UHFFFAOYSA-N 489.575 5.793 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9232498 MLTBCVYBOPRRTK-WSDLNYQXSA-N 498.919 6.203 5 40 JKBB COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 14277566 KWCWWBKLYALMNW-UHFFFAOYSA-N 474.325 6.439 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 20076723 KHCBPOLOQFPYMG-UHFFFAOYSA-N 479.583 6.077 5 40 JKBB Cc1ccc([P@@](=Nc2cc([N+](=O)[O-])ccc2C)(Oc2cccc3cccnc23)C(C)(C)C)o1 21487140 OSTUHXQXGIHFHE-MGBGTMOVSA-N 463.474 7.304 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5cc(C)c(C)cc5o4)ccc3C)o2)c([N+](=O)[O-])c1 21578780 XRXHLZNDIIAPIG-UHFFFAOYSA-N 497.507 6.849 5 40 JKBB CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 22708170 FJQGMELYPHSCIS-UHFFFAOYSA-N 472.501 5.054 5 40 JKBB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] 32125133 JEUAGCMVNSWWCS-HNNXBMFYSA-N 493.947 7.221 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 35167468 DEBHAJZMAVEPDM-UHFFFAOYSA-N 460.536 7.472 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 106702337 AZPJAADVYDCRPO-UUYOSTAYSA-N 491.481 5.840 5 40 JKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 408728961 WPKGZYCALNOXRW-WJQBNGMASA-N 482.923 5.672 5 40 JKBB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409050938 DVMYVKSFIFTRAT-UHFFFAOYSA-N 452.473 5.607 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1C 409356441 GSSVGSLZKOZXED-CIAFOILYSA-N 477.498 5.147 5 40 JKBB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284599 YDRLNLPWNCJJLM-CYBMUJFWSA-N 491.495 5.250 5 40 JKBB O=C(c1ccccc1)c1cc2c(ccc3ccccc32)[o+]c1C=Cc1c(O)ccc2ccccc12 16476975 YPZPMEPZKJQBBS-UHFFFAOYSA-O 453.517 8.127 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 16688689 KOCFWLFHUSEWPM-UHFFFAOYSA-N 490.387 6.081 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1[N+](=O)[O-] 32126709 UQECTQIPMNYYDV-UHFFFAOYSA-N 453.454 6.207 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccccc2)cc1 51330341 DJSUJOQACAFWHA-MHCOWZRKSA-N 454.486 6.304 5 40 JKBB O=[N+]([O-])c1cccc(/C=C/Nc2nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cs2)c1 101088388 OKPZSMSFCAKNTK-OUKQBFOZSA-N 484.603 5.366 5 40 JKBB Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(Cl)cc3Cl)C2=O)c1 102745533 BITHNFCOBAMDHH-FDFHNCONSA-N 498.322 5.261 5 40 JKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 103083262 KBVKFGRLMMDBOM-IBOXJLQUSA-N 499.548 5.875 5 40 JKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccccc1Br 214977757 SOPXXXLWFDOTHD-OEAKJJBVSA-N 474.379 6.992 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 224451907 DOFCKHUAGXIUCN-DHIUTWEWSA-N 460.490 5.566 5 40 JKBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224552701 KDOHOVVJRCRNMM-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1 408559787 WPBXHWAYCFNBPU-UHFFFAOYSA-N 461.287 5.696 5 40 JKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408995306 LYCMUJXLNSTRDX-FGUUHEIUSA-N 492.531 6.343 5 40 JKBB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cc(Oc4ccc(O)cc4)cc([N+](=O)[O-])c3)nn12 829538 PLKADRBYGNTXGH-UHFFFAOYSA-N 481.468 5.363 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(Cl)cc1 2249441 GXGSJQBEKZAVBT-UHFFFAOYSA-N 472.335 5.639 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)c(C)nc32)cc1 2314361 WEKCDCYLYGCPTH-HXUWFJFHSA-N 487.607 6.544 5 40 JKBB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3O)nc2c1 8835208 FIPBEKUBMABLBQ-UHFFFAOYSA-N 476.514 5.106 5 40 JKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 8903212 SSEBGMSGKQQYRY-UHFFFAOYSA-N 468.535 5.014 5 40 JKBB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1Br 9334880 UBOHCXXVCSANIT-UHFFFAOYSA-N 450.292 6.090 5 40 JKBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl 22708765 JOSLVQHOGFYGPU-UHFFFAOYSA-N 472.935 5.553 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)Nc1ccc([N+](=O)[O-])cc1 59474824 YSWCLMFJMPPPBK-UHFFFAOYSA-N 498.973 5.841 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223908726 PYRZFHBRVSGRRM-JWQCQUIFSA-N 484.585 5.024 5 40 JKBB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408638476 CLVYMEXMSUIUAR-OAHLLOKOSA-N 496.317 5.141 5 40 JKBB CC1=CC(C)(C)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc21 2268364 HNLJILPEMXPQIN-UHFFFAOYSA-N 487.468 5.565 5 40 JKBB C[C@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 9616396 PXYIISCYIPDNRK-INIZCTEOSA-N 493.520 5.013 5 40 JKBB O=[N+]([O-])c1cccc2ccc(/C=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)nc12 12546878 DYJFCDZRUSRDOI-JQIJEIRASA-N 458.477 6.912 5 40 JKBB Cc1ccc2nc(-c3ccc(CNC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)oc2c1 16348605 LIOXCHBRJMLFAZ-UHFFFAOYSA-N 477.929 6.510 5 40 JKBB CCN(CC)CCC[C@H](C)Nc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 19144339 JWLITWATDRVAKE-UEBLJOKOSA-N 473.064 7.529 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 22076608 UOFJMPCTNUJANT-UHFFFAOYSA-N 450.720 5.472 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1Cl 22537786 PBCFYCKQNDLXLF-CSKARUKUSA-N 455.923 5.651 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3O)o2)cc1Cl 22564704 ABOZXWUNWYFUNW-RMKNXTFCSA-N 457.895 5.049 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 409332477 FTECICAKKMGCQL-CALCHBBNSA-N 483.571 5.185 5 40 JKBB O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 2337627 DEZSTALNNBGOHV-UHFFFAOYSA-N 485.352 6.124 5 40 JKBB COc1cc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cccc(C)c4)cnc32)ccc1Cl 2348566 CMWDCHQRAPWVFZ-UHFFFAOYSA-N 467.916 5.243 5 40 JKBB CCc1cccc2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc(-c3ccc(F)cc3)nc12 6860509 QIJBIKOHIVSTAO-UHFFFAOYSA-N 496.951 6.291 5 40 JKBB C[C@@H](OC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9245036 OHALFYKBEXUJOA-CYBMUJFWSA-N 499.401 5.606 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 9518477 KLYNXISBAQJTQA-UHFFFAOYSA-N 479.832 5.228 5 40 JKBB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35077807 DCGJFQDQISWVDS-UHFFFAOYSA-N 484.965 5.625 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 103126920 CHUXSZHUUIMECI-UXHICEINSA-N 484.295 5.198 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 227545717 IKIJWOYARQODTJ-BIQRORRISA-N 476.532 5.635 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1c[nH]c2ccccc12 408565087 BDXYUZLZVINCDK-IBGZPJMESA-N 475.759 7.116 5 40 JKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408672502 NJJARYZHWXNTSA-UHFFFAOYSA-N 453.454 5.892 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)C12CC3CC(CC(C3)C1)C2 409055589 ZUAADJOOTFGAJX-UHFFFAOYSA-N 477.561 6.679 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc2ccccc12 409272990 OXUATZPNGOGPJF-OEAKJJBVSA-N 499.504 5.683 5 40 JKBB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 725266 WNHAILDUNVAQMH-KBMIEXCESA-N 457.530 5.908 5 40 JKBB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1Cc1ccc(C)cc1 2661974 QXDPMKVRFQAAAI-RUZDIDTESA-N 487.581 5.352 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 9232812 LWDKTDNZYPYJFO-OEAKJJBVSA-N 476.510 5.419 5 40 JKBB COc1ccccc1-n1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2cc([N+](=O)[O-])ccc21 12582328 CBEBUHOWXQUQKF-MRXNPFEDSA-N 474.542 5.012 5 40 JKBB O=[N+]([O-])c1ccc(OCCOc2ccc(Br)cc2)c(/C=C2\SC(=S)N=C2O)c1 13894599 BDRWKIOJKJOYEO-YBEGLDIGSA-N 481.349 5.144 5 40 JKBB COc1ccc(-c2cc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccc2OC(F)F)cc1 58023006 WPAXEJGBVTVEBC-UHFFFAOYSA-N 467.428 5.465 5 40 JKBB O=C(O)C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2o1 96867717 YRICNLSWGQEUSU-FMIVXFBMSA-N 469.247 5.774 5 40 JKBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 222986374 QBOHRUKXYBWKIS-FGZHOGPDSA-N 452.536 5.031 5 40 JKBB O=C(O)/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)Sc1nc2ccccc2[nH]1 408632325 DJSVUUORBGHEAK-QRVIBDJDSA-N 470.510 5.692 5 40 JKBB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 409197047 UTONPAPQNZPYSA-RWEWTDSWSA-N 484.364 6.377 5 40 JKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Cl)ccc2o1 409328413 UUMURDMVIXWTKM-UHFFFAOYSA-N 457.899 5.004 5 40 JKBB CC(C)c1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 6148292 NGTSZWWJHYKALW-UHFFFAOYSA-N 454.446 5.576 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 9729205 VRJFTUAMQCAFPR-QGZVFWFLSA-N 471.951 5.567 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 10058992 YCDZDIQXEWXQDV-YEJXKQKISA-N 451.548 6.496 5 40 JKBB Cc1nn(C)c(-c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)c1Cl 13643990 LEXLWCSKOGHALB-UHFFFAOYSA-N 481.919 5.854 5 40 JKBB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 16545521 NSYNJTZBWRHDCC-UHFFFAOYSA-N 458.543 6.114 5 40 JKBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 20797518 HWBHHFRIBARWEK-QFIPXVFZSA-N 494.338 6.179 5 40 JKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccc([N+](=O)[O-])cc1 101004872 ZBHKQCSFTHXCMP-OAQYLSRUSA-N 490.882 5.287 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 106722116 MXVGILRNUOPFRF-NVNXTCNLSA-N 498.152 5.356 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215003116 KGYDKCUOKIIURR-VXLYETTFSA-N 475.309 6.398 5 40 JKBB CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl 408577121 YOOLHNQHFCEHBO-GOSISDBHSA-N 467.378 5.700 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccccc3Cl)nc2N1 940788 RACJEUXHKMIUTF-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB CC(C)CC(=O)Oc1cn(Cc2cccs2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9124105 CKPYZVUMPGEGEA-UHFFFAOYSA-N 460.603 6.097 5 40 JKBB COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 15566176 LHHDUJWRTVCFDH-UHFFFAOYSA-N 473.279 5.176 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 15946704 GDCXGKDJDKIXFS-INIZCTEOSA-N 484.622 5.094 5 40 JKBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc1)=NCC2 33719080 WFAWHAHZOIOTGE-UHFFFAOYSA-N 474.517 5.152 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 106680326 AEQSCWCYSYUXMP-UCQKPKSFSA-N 476.510 5.419 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106685521 BYIVUGHLDBHVSC-BKUYFWCQSA-N 477.498 5.417 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1c[nH]c2ccccc12 408571119 NRISGWKQSXFGSH-SFHVURJKSA-N 475.759 7.116 5 40 JKBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 408843088 LOBSUPODJUVYIU-DEDYPNTBSA-N 492.871 5.211 5 40 JKBB O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CCCc1ccccc1 409140097 DERRFONPBXNHGS-YZSQISJMSA-N 497.576 6.267 5 40 JKBB COc1cc(-c2nnc(S/C=C/c3ccc([N+](=O)[O-])o3)n2C2CCCCC2)cc(OC)c1OC 8704703 BRHVDQXSWJJLGA-VAWYXSNFSA-N 486.550 5.740 5 40 JKBB CCCCn1cc(OC(=O)c2ccccc2)c2c1nc(-c1ccccc1)n1c3ccccc3nc21 9108672 DJFSFBBNFWUFIY-UHFFFAOYSA-N 460.537 6.524 5 40 JKBB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2ccccc2[N+](=O)[O-])nn1 9578228 YYGJYFASFBVZFW-UHFFFAOYSA-N 481.534 5.354 5 40 JKBB C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C(F)(F)F)cc3c2C1 13163286 SETSMJBACWURFQ-QWHCGFSZSA-N 489.450 5.404 5 40 JKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-] 72229348 AIZNDLVENKOJSA-GFCCVEGCSA-N 452.736 5.642 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1Cc1ccccc1 96297417 BRPVDHVWYDPSQO-OCBJUFRSSA-N 484.555 6.040 5 40 JKBB CCCCN(CCCC)CC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 1568023 ZPXSVBCFYDHSQL-VWLOTQADSA-N 499.539 8.356 5 40 JKBB COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 2229403 XEOCGWZAZILMEK-NRFANRHFSA-N 485.477 5.069 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)cc3)c2ncn1CCc1ccccc1 2237545 DEZNRSQVRVNQJO-UHFFFAOYSA-N 451.917 5.180 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 2238292 IAVCCTCOODQMRL-UHFFFAOYSA-N 488.935 5.659 5 40 JKBB C[C@@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)cc(Cl)c1 2348295 WRZYCZIRNPWLHA-HNNXBMFYSA-N 486.362 6.200 5 40 JKBB O=C(O)c1ccccc1C(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 3099209 URJXBIHFANBLJT-UHFFFAOYSA-N 451.485 5.306 5 40 JKBB O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1-c1cccc(Cl)c1 3327633 YBDVUFZOVUWVKJ-UHFFFAOYSA-N 477.851 6.117 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1csc(COc2ccc(F)cc2)n1 12536468 HSQVFCKPMXQEIP-UHFFFAOYSA-N 474.513 5.073 5 40 JKBB Cc1ccc(-c2nsc3c(SCC(=O)Nc4ccc([N+](=O)[O-])cc4C)ncnc23)cc1 13511004 MGAQJJAKOTZAEK-UHFFFAOYSA-N 451.533 5.009 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 39759193 OVDYVGCISMSPJR-OUKQBFOZSA-N 471.498 5.018 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106683693 MNNQCCOWAQSHMG-NDENLUEZSA-N 497.916 5.681 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728431 OPUPTYBQDAPKHC-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Cl 409183959 VGSRDCUYFAPRTB-UHFFFAOYSA-N 468.893 5.811 5 40 JKBB CCCC[C@@H](Sc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)C(=O)OCC 2969117 MSBLHGSEBLFMDG-LJQANCHMSA-N 465.535 5.067 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 8832173 ZMYRYIIXNKCAQT-YRNVUSSQSA-N 461.909 5.505 5 40 JKBB CCc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 9373496 GCNVGFNBOJLZJN-UHFFFAOYSA-N 494.964 5.184 5 40 JKBB COc1cc(OC)c([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1OC 13571547 UMCRCAJEFVTDOE-DEOSSOPVSA-N 498.491 5.018 5 40 JKBB Cc1ccc(N2C(=O)N=C(O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)c(C)c1 16971571 OMTYQVAQPCYTCY-HOFKKMOUSA-N 484.512 5.055 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Br 215091926 DFXWGEJOKDZNDH-YBFXNURJSA-N 485.315 5.854 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 408604076 DGWICGBGIVFWER-UHFFFAOYSA-N 490.297 5.399 5 40 JKBB COc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408829273 FHXGOEYUWRXQGR-UHFFFAOYSA-N 489.597 6.549 5 40 JKBB O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1c1ccccc1 408903446 YAJKNLZKFOJTBD-PCLIKHOPSA-N 482.517 6.568 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)cc1 2212880 KZRGVGTXOSBQJD-OAQYLSRUSA-N 467.573 5.114 5 40 JKBB CCCCCCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 3273856 DWFRRVKITVYNJC-UHFFFAOYSA-N 473.986 5.818 5 40 JKBB CCc1ccc(OCC(=O)N(c2cccc(C)c2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 3347170 SVGCMFAQAMYQEN-UHFFFAOYSA-N 473.554 6.333 5 40 JKBB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)c1C 12546223 UXUYVBMRTBMJCV-MRXNPFEDSA-N 496.564 5.674 5 40 JKBB O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12640310 AKCSVSCMDSETFG-UHFFFAOYSA-N 483.524 5.773 5 40 JKBB CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509722 LQMWGLFJLVHCOI-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccccc2)cc1 16480529 YVXOIQABIDCNFL-UHFFFAOYSA-N 456.340 5.138 5 40 JKBB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 17200843 ZGKKSWHMKGMTLN-UHFFFAOYSA-N 488.504 5.194 5 40 JKBB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22757654 LHBCTMXQPQWFTQ-UHFFFAOYSA-N 497.338 6.562 5 40 JKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 59559198 PKNOPSJOGMZVEU-UHFFFAOYSA-N 485.371 5.476 5 40 JKBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3c(sc4ccccc43)c2=O)cc1 102819422 GMVWSEKRWMYFDL-UHFFFAOYSA-N 472.478 5.844 5 40 JKBB O=C(O)c1cccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c1 408996113 ODJGXNMDCJYYDN-UHFFFAOYSA-N 487.855 5.644 5 40 JKBB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC 409051990 PGVCLMWWUYRMNP-UHFFFAOYSA-N 479.489 5.794 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1Cl 409176940 BTBSUUHFKANUNQ-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB CCCN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409350231 RKYXUKNFSRBIEV-LICLKQGHSA-N 452.410 5.852 5 40 JKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 4014474 SCZXHBVWUOPFGQ-UHFFFAOYSA-N 453.282 5.807 5 40 JKBB CCOc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OCC)c1OCC 14272503 DJDVUDLPLULNRD-UHFFFAOYSA-N 457.508 5.167 5 40 JKBB Cc1cccc2sc(N(Cc3ccccc3)C(=O)COC(=O)c3cc([N+](=O)[O-])c(F)cc3F)nc12 24830115 VCIPRBACFNCNJT-UHFFFAOYSA-N 497.479 5.181 5 40 JKBB CN(C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccc2ccccc2c1 408974666 GKEUXPCLHPPGKT-UHFFFAOYSA-N 465.516 6.309 5 40 JKBB C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408999472 CYXMOWBWKHEYQE-ZFWHIUCFSA-N 499.611 5.149 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1 409199809 DXEIFMAPAWYQGK-HYARGMPZSA-N 491.481 5.574 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409211390 LRERIZBLQQNZFO-CIAFOILYSA-N 466.902 6.068 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C 1814475 ITYFKNBHCLDCTL-KDYSTLNUSA-N 485.584 6.688 5 40 JKBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)cc1 2247322 WTYXNPWIZZMIFC-UHFFFAOYSA-N 479.971 5.661 5 40 JKBB O=c1c2c([nH]c(=S)n1-c1ccccc1)sc1sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c12 3850760 UQVAKDPUHWTUCF-UHFFFAOYSA-N 492.632 5.686 5 40 JKBB Cc1ccc(-c2nn3c4ccc(NC(=O)/C=C/c5ccccc5)cc4nc3c3ccccc23)cc1 9067512 KOWNOWAHUIQJFJ-QGOAFFKASA-N 454.533 6.663 5 40 JKBB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2cc1C 9323469 BLXIIXZYKYLLQW-UHFFFAOYSA-N 452.923 5.717 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc(-c2cccs2)nc2ccccc12 12311278 AIZMQIFJNRCSRS-UHFFFAOYSA-N 454.305 5.886 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16384545 IMGLDZLILFLXIK-UHFFFAOYSA-N 462.472 5.456 5 40 JKBB O=C(CSc1nnc(-c2ccccc2Cl)o1)c1cc([N+](=O)[O-])ccc1Br 19927354 RJYSAZWFEYUPAY-UHFFFAOYSA-N 454.689 5.036 5 40 JKBB Cc1ccc([N+](=O)[O-])c(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1 20669825 ZWRLAXUOPMXUPM-UHFFFAOYSA-N 468.560 5.261 5 40 JKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)Nc2nc(C)cs2)cc1 44086567 GFKXPDPOATVORU-UHFFFAOYSA-N 465.560 5.252 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 59409115 AMBYFLDBFVIUGG-NRFANRHFSA-N 470.348 5.633 5 40 JKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br 106732451 DVCWNMQLDOASDY-NVNXTCNLSA-N 453.701 5.247 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Cl 214076587 NZRPQJGWELCDAQ-VXLYETTFSA-N 475.309 6.398 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409144773 PVGYEMRAMXYDNF-YDZHTSKRSA-N 482.558 5.799 5 40 JKBB COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 2229405 XEOCGWZAZILMEK-OAQYLSRUSA-N 485.477 5.069 5 40 JKBB O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Br)cc1 2756239 DSWWRCVQCVVWJI-UHFFFAOYSA-N 489.281 6.103 5 40 JKBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1cccc(Cl)c1)CC2 3006355 RKBKSNORYBQBTL-JOCHJYFZSA-N 497.935 5.476 5 40 JKBB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8765794 PNLDJZQFTQEJGR-UHFFFAOYSA-N 478.910 5.027 5 40 JKBB CCCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc2c1=O 9127661 XKUYZAUMUBBPCG-HSZRJFAPSA-N 488.569 5.495 5 40 JKBB Cc1nc2c3c4c(sc3n3c(SCc5c(Cl)cccc5Cl)nnc3n2n1)CC[C@H](C)C4 9500177 HESFUBRPMMDDJP-JTQLQIEISA-N 489.457 6.019 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3cccc(Cl)c3)nc2N1 9637929 BVRANQNTKHOVMY-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 10904812 ADFBQKDIYHVAIM-UHFFFAOYSA-N 468.724 5.801 5 40 JKBB O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 12360438 VZPKSJVSMXZHKY-UHFFFAOYSA-N 493.500 6.355 5 40 JKBB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 12559582 DPYIGPPAJVTPHT-OAQYLSRUSA-N 494.479 5.728 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 13302032 OICFMWBDNMEDPC-OVSDAQIJSA-N 471.944 6.685 5 40 JKBB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 13591154 WXQLHVWUHGBVLU-HXUWFJFHSA-N 475.497 5.042 5 40 JKBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 20145342 IHHLNXLLZLGHKI-UKTHLTGXSA-N 460.442 5.268 5 40 JKBB CN1CCc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 20331187 KCDFFTJZTULTAK-UHFFFAOYSA-N 499.017 5.289 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2[N+](=O)[O-])CC1 57313013 CKDBWPLHACWMOW-UHFFFAOYSA-N 455.518 5.627 5 40 JKBB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57316000 NTTLFKXSAUPBSW-UHFFFAOYSA-N 450.863 5.918 5 40 JKBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 96297413 BITHNFCOBAMDHH-BDTNDASRSA-N 498.322 5.261 5 40 JKBB Cc1ccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1Cl 408557399 NEYPZIQBKFRFKX-UHFFFAOYSA-N 460.317 5.840 5 40 JKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408927539 WUFMLUDPOKRAIO-ZXVVBBHZSA-N 480.589 7.375 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1c2c(nc3ccccc13)CCCC2 409183022 RLCMZTDHYBNILZ-UHFFFAOYSA-N 454.482 6.171 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 409335490 JBOYZAMIRKSZKV-RTFZILSDSA-N 465.303 5.557 5 40 JKBB CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)[N@@]23)cc1 2049251860 KGEYAYVLHDNGOM-YIPGRGJBSA-N 457.530 5.593 5 40 JKBB O=[N+]([O-])c1ccc(CSc2ncc(Br)c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1 1674953 DGIVOOHDWJIQKY-UHFFFAOYSA-N 493.364 5.640 5 40 JKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2303309 HTDNCTWEXJGLHF-UHFFFAOYSA-N 494.426 6.733 5 40 JKBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F 3199554 AZXOQAHXDQIUAQ-DHZHZOJOSA-N 488.468 5.753 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F 3769704 DRVPPZILHFIJJR-YDZHTSKRSA-N 494.500 5.558 5 40 JKBB CCc1cccc2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccc(F)cc3)nc12 6860551 KDCDPUIYVVAHIT-UHFFFAOYSA-N 462.506 5.637 5 40 JKBB CC(C)c1ccccc1NC(=O)COC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9244585 WARKHFVDKJXXNY-UHFFFAOYSA-N 456.442 5.011 5 40 JKBB O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 9425911 XTMGQYKFIQIKGP-UHFFFAOYSA-N 474.252 5.161 5 40 JKBB O=[N+]([O-])c1ccc(-c2csc(/C=C/c3cn(-c4ccccc4)nc3-c3ccccc3)n2)cc1 12623151 QNOICHGEEVSZQS-DTQAZKPQSA-N 450.523 6.741 5 40 JKBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)Nc1nc2c(s1)CCCC2 13086142 SMJBMTKANDXJDO-UHFFFAOYSA-N 463.613 5.459 5 40 JKBB Cc1cc2sc(NC(=S)NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl 16284229 PKLWDWZHMNFRLK-HWKANZROSA-N 467.359 5.346 5 40 JKBB O=C(c1ccc(-c2ccccc2)cc1)N(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 20530380 WEHSGEDUJGHFRJ-UHFFFAOYSA-N 498.538 7.416 5 40 JKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224705261 YOWJHMOUJZKLMR-JOCHJYFZSA-N 492.041 5.061 5 40 JKBB Cc1sc2nc(-c3ccc(Sc4cccc5cccnc45)c([N+](=O)[O-])c3)nc(O)c2c1C 408991750 PEOOWTHPOIVXMM-UHFFFAOYSA-N 460.540 6.288 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1C 409365238 YCNZCDSPLARDDD-IDUWFGFVSA-N 480.329 5.193 5 40 JKBB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8898695 ATJGPEBFPVSDNF-UHFFFAOYSA-N 480.735 5.777 5 40 JKBB CCn1c2ccccc2c(=O)c2c1nc(-c1cc(OC)c(OC)c(OC)c1)n1c3ccccc3nc21 9327952 FPLZOKWSVLVXIG-UHFFFAOYSA-N 480.524 5.063 5 40 JKBB COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cccs1 14273000 BZLOCPCUUSJJAB-UHFFFAOYSA-N 463.471 5.430 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)c(C)c1 14278541 LSYXLLACASTUMI-UHFFFAOYSA-N 492.967 5.697 5 40 JKBB CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N=C2O)cc1 32109513 FDHVOUJGKDQMTK-UYRXBGFRSA-N 458.561 5.679 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 51330322 OWUKMJKXBCOKNP-KXENESABSA-N 454.486 6.304 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F 224917017 ZLTASYFHRDQFNC-DNQXCXABSA-N 474.517 5.874 5 40 JKBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225595999 GVUCDAOFMUZIOB-HNNXBMFYSA-N 498.432 5.077 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)cc1 408562251 OIRRENMUEZTTRA-ATJXCDBQSA-N 450.347 5.755 5 40 JKBB Cc1cccc(C)c1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409173930 PPQHAZANEKNUPK-AREMUKBSSA-N 460.486 5.098 5 40 JKBB O=C1S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1c1ccccc1 409365856 YVZGLNWXXRTTFR-NDENLUEZSA-N 463.427 5.536 5 40 JKBB FC(F)(F)c1ccc2cc([C@]3(C4CCNCC4)CCCO3)c3ccc(C(F)(F)F)cc3c2c1 2022790 QFOCJDRSIHDXFR-HSZRJFAPSA-N 467.453 7.036 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(CC)nc32)cc1 6150859 UVYUFBAVSMSEKZ-NRFANRHFSA-N 481.600 5.368 5 40 JKBB COc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c([N+](=O)[O-])c1 9631847 ZXSKAJZCJVRAHK-UHFFFAOYSA-N 476.923 5.252 5 40 JKBB COc1ccccc1-n1cc(-c2ccc(C)cc2)nc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12574621 HBCNPBCLCYLIRN-UHFFFAOYSA-N 462.487 5.824 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 13129062 MSPIKEIZRKBLBR-MRXNPFEDSA-N 491.544 5.098 5 40 JKBB COc1ccccc1OCc1cccc(-c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)c1 13643676 PJEHWCFUYXQQHA-UHFFFAOYSA-N 467.554 5.759 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccc([N+](=O)[O-])c1 14270116 CAHCFXJNDKNZQT-FNORWQNLSA-N 462.314 5.688 5 40 JKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224157251 WWKZDRWQWAXICI-XMMPIXPASA-N 483.634 5.003 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408605616 GFNQEOZMTFXPFC-UHFFFAOYSA-N 488.294 5.465 5 40 JKBB O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 409001913 XVTFZKXYDJDAAH-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409179277 LJBKGXZOIVRODE-UHFFFAOYSA-N 473.506 5.374 5 40 JKBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21 2248998 OSVSRFFVOQLXKY-UHFFFAOYSA-N 495.970 5.361 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)cc1 2298317 QFYKZMZNQZBAMY-UHFFFAOYSA-N 475.552 5.233 5 40 JKBB Cc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1Cl 2437865 AFFZGJOLSQGBHY-UHFFFAOYSA-N 460.965 6.473 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1 2992958 DPQLSJFLAFUPMW-UCQKPKSFSA-N 476.510 5.419 5 40 JKBB O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 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COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 408605708 GMVWRYVXKXJDEY-UHFFFAOYSA-N 476.316 5.540 5 40 JKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 408749341 GATOWFUSWUUNJX-UHFFFAOYSA-N 481.942 5.951 5 40 JKBB O=C(O)c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 408999113 WJMIRUYJPKXUEC-NRNZPPILSA-N 470.525 6.169 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409009248 CKNBSBKABKIFMW-MQMKENTISA-N 490.965 6.061 5 40 JKBB COc1cccc(/C=C/c2cc(/C=C/c3cccc(OC)c3O)c([N+](=O)[O-])cc2[N+](=O)[O-])c1O 3845214 YZYNABGODDZXGG-WGDLNXRISA-N 464.430 5.272 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccs4)C[C@@H](C)C[C@@H]3[C@H]2c2cccs2)n1 8455490 ZIIBGJLLXHGQHL-ZABZADLBSA-N 481.603 5.617 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 13361980 JKBMGHQGCAIQKF-UHFFFAOYSA-N 467.481 6.841 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 22532695 ZIONNIVZVCMNDD-UHFFFAOYSA-N 451.910 6.050 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(OC)cc1 102500015 GDRGSFMPKPNDGM-ACSYHNTCSA-N 497.551 6.564 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224313449 ZXIFVDIUMLWPBV-JWQCQUIFSA-N 469.570 5.574 5 40 JKBB O=C(c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363318 ALUUKUKMAXANNJ-UHFFFAOYSA-N 483.332 7.605 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1c[nH]c2ccccc12 408577286 YYCGFVNGLMFIJT-NRFANRHFSA-N 451.320 5.918 5 40 JKBB Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409181524 CNYWSDJCPYGYIQ-UHFFFAOYSA-N 492.487 5.650 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCOc1ccc([N+](=O)[O-])cc1 976792 UQKMRTBAZBONCC-XYGWBWBKSA-N 499.548 5.713 5 40 JKBB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3223254 OKLZRUAAWGUFPU-OQLLNIDSSA-N 465.943 6.502 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1[N+](=O)[O-] 6280855 SAZYNLUHUPQMCG-UHFFFAOYSA-N 451.552 5.262 5 40 JKBB COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1OC 8832064 HDRDENHRTXOABW-UHFFFAOYSA-N 451.460 5.248 5 40 JKBB Cc1cccc(Nc2nnc(S[C@@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3)s2)c1 12568771 UGQXNMCXVWIEON-OAQYLSRUSA-N 491.598 6.279 5 40 JKBB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 13609686 BOUPERIUYMWGSB-UHFFFAOYSA-N 463.877 5.306 5 40 JKBB O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 59417211 IKHBHIBEWFBHPZ-UHFFFAOYSA-N 454.763 6.451 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224254889 FPBYXGRFAZPVDA-DNQXCXABSA-N 456.527 5.735 5 40 JKBB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408838520 FWINCEAWRREEND-DEDYPNTBSA-N 492.871 5.211 5 40 JKBB COc1ccc(-c2s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n(C)c2-c2ccc(OC)cc2)cc1 409197840 PYOPFKJOVILMMO-QPLCGJKRSA-N 475.526 5.087 5 40 JKBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 409326395 KAMBMYUJSFYGJR-CMDGGOBGSA-N 457.273 5.276 5 40 JKBB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 8831768 PULAYKORQWSPOY-INIZCTEOSA-N 464.547 5.360 5 40 JKBB O=C(CCN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 9380120 TWLCRJTTZNDZFH-LJAQVGFWSA-N 496.611 5.617 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2F)N1Cc1ccccc1 9762345 JUMWUIIJPQKXEK-MHZLTWQESA-N 467.500 6.095 5 40 JKBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2oc(C(F)(F)F)nc2c1 62566455 PNGQDSALRMCGLD-UHFFFAOYSA-N 465.331 5.504 5 40 JKBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224881495 WCYYSNPJBNAXBD-OAHLLOKOSA-N 498.432 5.078 5 40 JKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 408563112 UDUOKUPJYOGSKZ-LNVKXUELSA-N 474.926 5.400 5 40 JKBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1F 409066164 LZXNVBBKPWNJES-REZTVBANSA-N 476.247 5.394 5 40 JKBB CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 3199763 JMOBJGRSSPDCTI-UHFFFAOYSA-N 472.570 6.115 5 40 JKBB O=C(Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1)c1cccc([N+](=O)[O-])c1 8854926 OOSKNHCDPKUHLL-UHFFFAOYSA-N 462.465 5.621 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1[N+](=O)[O-] 9329641 IHYRYXDIEILAPE-UHFFFAOYSA-N 478.555 5.397 5 40 JKBB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)n2c2ccccc12 9376373 GHUFRIVIUBEMLI-LBPRGKRZSA-N 475.452 5.237 5 40 JKBB CC[C@@H](C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc([N+](=O)[O-])cc1)c1ccccc1 9391367 FGZCBBLIVQSFTQ-NOZRDPDXSA-N 490.556 5.311 5 40 JKBB Nc1ccc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1[N+](=O)[O-] 12657465 VZPIUXXZMMIPTQ-LJQANCHMSA-N 460.273 5.021 5 40 JKBB O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)ccc1Cl 17250130 FEAPGFHWUWBZRI-UHFFFAOYSA-N 490.328 5.389 5 40 JKBB C[C@H](Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 40119622 CTKVIBWVCSADTB-HNNXBMFYSA-N 467.485 5.343 5 40 JKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 408811487 NTFSEGLFTWJTHF-UHFFFAOYSA-N 480.953 5.899 5 40 JKBB O=C(Nc1ccc(CSc2ccccc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408920804 NRWQWNJEEAUKDS-ZXVVBBHZSA-N 466.562 7.066 5 40 JKBB Cc1c(Cl)cccc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409078212 IATWWWFISJKTQO-UHFFFAOYSA-N 493.950 7.691 5 40 JKBB COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 9391341 VQXLHMYYSCMOTR-RUZDIDTESA-N 490.556 5.554 5 40 JKBB C[C@H]1CCCC[C@@H]1n1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccnc1 9493696 YLVJOPXAOQKRGZ-KXBFYZLASA-N 477.550 5.342 5 40 JKBB O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] 12566644 LNHZIEBGCIYNSR-LJQANCHMSA-N 479.703 6.092 5 40 JKBB Cc1ccc([C@@H]2C[C@H]2c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cc1 13643789 ZQSPYJRXUOHUDV-PKOBYXMFSA-N 483.547 7.071 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)o1 20151053 MFNYCDKCGOYSDP-IZZDOVSWSA-N 478.888 6.221 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 22820053 AFSBZSSRKNCGSL-AWNIVKPZSA-N 499.350 6.325 5 40 JKBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1cc(-c2ccccc2)nc2ccccc12 33445856 UTEOPMXQVAXXTH-UHFFFAOYSA-N 458.524 6.247 5 40 JKBB CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1[N+](=O)[O-] 34858969 FGKMGHOJHWPQOV-YCEDGAFSSA-N 452.576 5.492 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224221946 NQVXXWBENKKDME-DNQXCXABSA-N 456.527 5.735 5 40 JKBB O=C(NCCSCc1ccc(Cl)c(Cl)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408926165 PQRXZEZZPJZUGL-KGENOOAVSA-N 487.408 6.492 5 40 JKBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)Nc1cccc2ccccc12 408975686 LMAHZGZPBKYSKV-UHFFFAOYSA-N 482.572 6.842 5 40 JKBB Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc(-c3ccccc3)nc12 9500166 URZCVHQQMVACOO-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 12560026 XGNZZDSBFVZOGK-HXUWFJFHSA-N 484.737 6.002 5 40 JKBB CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 12617304 PTUWPJDZIYURDB-JOCHJYFZSA-N 466.921 6.083 5 40 JKBB Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12659823 CCHCIOSRZZYZQZ-UHFFFAOYSA-N 469.910 5.044 5 40 JKBB CC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)CC2)c([N+](=O)[O-])c1 13143353 JLEPUHAVBNVZTI-UHFFFAOYSA-N 459.333 5.878 5 40 JKBB aggregator O=C(COC(=O)c1c2c(nc3ccccc13)CC[C@@H](c1ccccc1)C2)c1cccc([N+](=O)[O-])c1 13575313 GHMGFXPHKFOHGG-LJQANCHMSA-N 466.493 5.455 5 40 JKBB CCOP(=O)(OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1Cl 16753254 YBOYOSSYBJVRIK-UHFFFAOYSA-N 465.830 5.407 5 40 JKBB COc1ccc(/C=C2\CN(C)C[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)cc2)cc1 67321644 WGMNVNHAENLSHC-LDZSVGSDSA-N 484.556 5.175 5 40 JKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)(C)C 224515810 ZROWFRIXLYAKTE-UHFFFAOYSA-N 462.546 6.431 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccccc1 408564794 AHIPWUGFRCHNMF-HSZRJFAPSA-N 464.522 5.404 5 40 JKBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1[N+](=O)[O-] 408645417 USKUTWQVKPYHQB-OAQYLSRUSA-N 481.508 5.840 5 40 JKBB O=c1c2cc(Cl)ccc2c2ccc(Cl)cc2c(=O)n1-c1ccc2c(c1)Cc1ccccc1-2 1719581 RSXRMWZFBPMNPO-UHFFFAOYSA-N 456.328 6.382 5 40 JKBB c1ccc(CSc2nnc3c(n2)O[C@H](c2c4ccccc4cc4ccccc24)Nc2ccccc2-3)cc1 2073727 HGWVCONQFOSSGA-GDLZYMKVSA-N 498.611 7.640 5 40 JKBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cs1 3451266 BMZFRKVISUEIEX-UHFFFAOYSA-N 477.498 5.158 5 40 JKBB O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284394 AUHMOGOFCTXJCV-UHFFFAOYSA-N 497.278 5.336 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nc2cc([N+](=O)[O-])ccc21 9539944 HAAUIJRXXDNHAH-UHFFFAOYSA-N 462.531 5.290 5 40 JKBB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2ccc2ccccc23)c1 12488009 QOUUXWWPCCRGQA-UHFFFAOYSA-N 495.604 6.506 5 40 JKBB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 22535060 GOPMHHMTVJTVER-QHHAFSJGSA-N 453.332 5.038 5 40 JKBB Cc1ccc(Cn2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)cc1 40398711 BAIXPXMLYZCKOJ-UHFFFAOYSA-N 462.336 5.364 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 408632002 CLFUYYYDKFEOCZ-ODLFYWEKSA-N 483.889 6.084 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(Cl)ccc4Cl)cnc32)cc1C 2238808 RFPAEKSBDXPLCM-UHFFFAOYSA-N 486.362 6.196 5 40 JKBB COc1ccc(CCNc2nc(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1OC 2948775 FHHVDZGJHOCMOS-UHFFFAOYSA-N 476.558 5.502 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(Cl)cc4C)o3)nc12 13643688 OBIGUMPRNBTLPF-UHFFFAOYSA-N 475.961 6.305 5 40 JKBB Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cccc1[N+](=O)[O-] 14269975 UCCKWWIKUQIRMB-UHFFFAOYSA-N 450.303 5.597 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 14278078 VEIULFSQXMSXJF-UHFFFAOYSA-N 486.528 5.417 5 40 JKBB O=c1c2ccc(C3=C[C@H](c4ccccc4)NN3c3ccccc3)c3cccc(c32)c2nc3ccccc3n12 16478281 FENKRRQVHGYMOU-MUUNZHRXSA-N 490.566 6.699 5 40 JKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 20610994 RTAQFHWSDJEJLD-YCRREMRBSA-N 468.300 5.596 5 40 JKBB CC1(C)C[C@H]2C[C@@]1(C)CN2c1ccc([N+](=O)[O-])cc1[C@@H](Nc1ccccn1)n1nnc2ccccc21 103763747 IZIQEDYBQKFRRK-BYGVMDBSSA-N 483.576 5.408 5 40 JKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408812987 CNZQEISARNZOKT-XKZIYDEJSA-N 462.483 5.423 5 40 JKBB Fc1ccccc1NC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408973919 CQIXJCGVQBURKZ-UHFFFAOYSA-N 450.502 5.827 5 40 JKBB Cc1c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cccc1[N+](=O)[O-] 409266822 LFLWARWFKDMIQS-WPFQWDPVSA-N 453.542 6.452 5 40 JKBB CCOC(=O)c1ccc(N[C@H](c2cccc([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1 1818283 QSMYCPBDYATFCJ-NRFANRHFSA-N 464.455 5.925 5 40 JKBB COc1cccc(C(=O)Nc2ccc3nc(SCc4cc([N+](=O)[O-])ccc4OC)sc3c2)c1 3669351 VNWKNFFGJOAIGT-UHFFFAOYSA-N 481.555 5.766 5 40 JKBB CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc12 4130716 AKNQSZXHRNWJQH-UHFFFAOYSA-N 488.905 5.434 5 40 JKBB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc12 12616950 HQYRLSDLOFGMRD-CYBMUJFWSA-N 484.921 5.141 5 40 JKBB CCOc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 16789593 AQYYNYMUGUAAFK-UHFFFAOYSA-N 466.544 5.278 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccccc2)cc1 51330343 DJSUJOQACAFWHA-KXENESABSA-N 454.486 6.304 5 40 JKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1[N+](=O)[O-] 72229280 ZRDVXRLFDZROQN-GFCCVEGCSA-N 452.736 5.642 5 40 JKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 103056861 YSITVHDEIGBBOV-AFMDSPMNSA-N 499.995 5.444 5 40 JKBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223446269 FNQASHCNXUWEIF-LOSJGSFVSA-N 486.553 5.431 5 40 JKBB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]2C1 408677668 DXWDLROCFFQEKG-LOSJGSFVSA-N 481.508 5.360 5 40 JKBB CC(=O)c1sc(=Nc2ccccc2)n(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C 584906152 VVLNSKLYHZKENL-UHFFFAOYSA-N 464.469 5.332 5 40 JKBB O=c1c2c(nc(SCc3ccc(C(F)(F)F)cc3)n1-c1ccc([N+](=O)[O-])cc1)CCS2 2720093 BDCSOTSIDGLJSW-UHFFFAOYSA-N 465.478 5.100 5 40 JKBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)Nc1nc2ccccc2s1 8792262 FHTOJZHCHPTVJF-OAHLLOKOSA-N 490.544 5.608 5 40 JKBB biogenic Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 8832098 HUGXEGZWAPMTKE-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 8974443 QDIXKEGDBTYJGN-PZYJALBSSA-N 490.943 5.253 5 40 JKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1c(F)cccc1Cl 9425425 KNIZIKWDPWYKHO-IBGZPJMESA-N 463.248 5.578 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)sc2c1CCC2 13109364 GYCCHNNKDYIRHV-UHFFFAOYSA-N 486.546 5.864 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4cccc([N+](=O)[O-])c4)o3)nc12 13644091 VTQYIQGMDVCAPK-UHFFFAOYSA-N 472.486 5.251 5 40 JKBB Cc1ccc(NCc2nn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=S)n2-c2ccccc2C)cc1 16769329 AWKJAZRRHAHLBX-UHFFFAOYSA-N 473.558 5.423 5 40 JKBB COc1ccc([C@H]2S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2Nc2nc3ccccc3s2)cc1 32597632 LSLKQMRSFGRNGQ-LJJBLSSYSA-N 490.566 5.855 5 40 JKBB CCc1ccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)cc1 57312836 AGRHOKQIVVAKTR-UHFFFAOYSA-N 477.929 7.086 5 40 JKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1C 408695870 UJMTYUHJGJVRPH-UHFFFAOYSA-N 492.333 5.474 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)SCCOC(=O)COc1ccc(Cl)cc1Cl 1640292 RSBYFOONVYEHEW-UHFFFAOYSA-N 459.307 5.097 5 40 JKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(Nc2ccc(Br)cc2)s1 2063628 YQCGVNVIFJEMPG-UHFFFAOYSA-N 450.317 5.971 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1C1CCCCC1 2323690 IUAPVGMARUNBLK-UHFFFAOYSA-N 464.356 6.096 5 40 JKBB Cc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C[C@@]2(C)c1ccccc1 9144605 YUBXAJAQZXPZOM-SANMLTNESA-N 459.502 5.947 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc(F)c(Cl)c2)c2nc(CCC)n3c4ccccc4nc3c12 9242666 WIQNBKFCEOEVOL-UHFFFAOYSA-N 464.928 6.277 5 40 JKBB O=c1c2ccccc2nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1CCC1=CCCCC1 9317889 SVPHGOJBRSQJAG-UHFFFAOYSA-N 489.557 5.538 5 40 JKBB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13842738 QJLNFHHGMQTZEA-UHFFFAOYSA-N 489.985 5.293 5 40 JKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 22709042 WVFOKGOMIMKQLV-UHFFFAOYSA-N 473.312 5.925 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224442910 WKBCHQSYNMXXBG-GOTSBHOMSA-N 459.506 5.097 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408729749 CJTPXDLICMGYNC-JOCHJYFZSA-N 497.960 5.781 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-] 408825197 HVULBWZECGFGFX-UHFFFAOYSA-N 480.889 6.199 5 40 JKBB O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 408995524 AUILPBLZERZPAI-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 409181872 GDLAHVJOAOGSBB-DEOSSOPVSA-N 466.877 5.134 5 40 JKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2417982 GHMZDKLEJJQBAL-UHFFFAOYSA-N 466.372 5.945 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 3336341 MZZGEUBLCLYAFJ-UHFFFAOYSA-N 467.506 6.975 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3cccc(Cl)c3n2)cc1 8722017 MBOOSDZZPCTCTE-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 8809617 GGQIUFRXWFYJPR-GDLZYMKVSA-N 474.516 7.288 5 40 JKBB O=c1c2c(-c3ccc(F)cc3)csc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 9614383 NEAXIPBCNRSEAZ-UHFFFAOYSA-N 489.553 6.454 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1 16688632 WNPLFSRZTFNSCB-UHFFFAOYSA-N 490.387 6.081 5 40 JKBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)nnc1-c1ccccc1Cl 19927386 PHGYDBVZPYNDHP-UHFFFAOYSA-N 481.759 5.264 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(F)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1 20611144 CZOYQRXKQBUDNN-UHFFFAOYSA-N 487.447 5.297 5 40 JKBB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1Cl 21005580 GSVWDSLHHGLUCD-QHCPKHFHSA-N 474.904 5.587 5 40 JKBB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2)c1 41091608 MYXHMNBIMJIXKJ-UHFFFAOYSA-N 472.545 5.644 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 195529330 MFWWICBCDMOQEH-TXXWUTRGSA-N 480.590 5.421 5 40 JKBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 224819508 LJSBYSNVJLHCLU-MUUNZHRXSA-N 499.611 5.145 5 40 JKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)cc3)cc2)cc1 408569969 KKLGJCCBMMPVDW-VWLOTQADSA-N 474.586 5.882 5 40 JKBB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1 408633940 NYFPCKQOADMINP-UUYOSTAYSA-N 477.498 5.277 5 40 JKBB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] 408659334 KTOPUOIXFGBOBM-IBGZPJMESA-N 458.514 5.188 5 40 JKBB CCOc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1ccc([N+](=O)[O-])cc1 408734558 HZHFPQNOHMQNCS-UHFFFAOYSA-N 451.504 5.567 5 40 JKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409019344 RDCFHHRZWDQOSM-WQRHYEAKSA-N 488.999 6.697 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc(Br)c1 409158857 ZFGZTYYTMVXRBT-YBFXNURJSA-N 485.315 5.854 5 40 JKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 409387149 ZVTYWNAQVCMCHD-UHFFFAOYSA-N 456.789 5.783 5 40 JKBB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 9128604 YXTBRVTUKACQMG-NRFANRHFSA-N 489.524 5.351 5 40 JKBB O=C(COc1ccc(Br)cc1Br)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9596112 FCMHEXQAWKOXKJ-UHFFFAOYSA-N 498.049 5.156 5 40 JKBB CC1(COC(=O)N2CCC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21 12402526 PFPQPFZIKBLXLW-DEOSSOPVSA-N 471.513 5.121 5 40 JKBB CCCCCCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc21 12660768 JIBUIJYDGRKPGW-MRXNPFEDSA-N 456.568 5.653 5 40 JKBB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12819589 CHUGAMPOSJZOCP-ZDUSSCGKSA-N 481.862 5.200 5 40 JKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C/C=C/c1ccccc1 95676735 PNFWAZAOTJQFFQ-QPJJXVBHSA-N 460.358 5.445 5 40 JKBB CCc1nc(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408633381 YAQWOTKQWAZGNN-MHWRWJLKSA-N 462.940 5.298 5 40 JKBB Cc1nnc(Sc2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)cc2[N+](=O)[O-])s1 408991950 PHKFTQORBAOFPZ-UHFFFAOYSA-N 471.589 5.552 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 408994008 YBCWYJKWADIWPP-UHFFFAOYSA-N 477.542 5.829 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 409241068 NCVQDMRTOOOVSV-HMAPJEAMSA-N 462.552 6.291 5 40 JKBB O=C(Oc1ccc(Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1 1846525 SXYJPZXXABNKSX-UHFFFAOYSA-N 498.447 5.532 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1C 2255410 JIBKASDKSBPMOJ-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB CCc1nc2c(c(=O)n1[C@@H](C)c1ccccc1)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2314454 QZCGAFDJFDOTSA-SFHVURJKSA-N 475.552 5.464 5 40 JKBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2[N+](=O)[O-])c1Sc1ccccc1[N+](=O)[O-] 2718514 CLTYXPKABWDHOF-UHFFFAOYSA-N 476.470 5.368 5 40 JKBB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1-c1ccccc1 3452403 KCNWREOMAVSYBH-HNNXBMFYSA-N 493.520 5.110 5 40 JKBB CC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 8765700 QMPHXVJGBKAHMD-UHFFFAOYSA-N 487.715 5.069 5 40 JKBB CN(CCOC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8857462 KOXXRXPDQKIWQZ-UHFFFAOYSA-N 458.436 5.425 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900005 NSRRKLDSFAQJAV-UHFFFAOYSA-N 494.507 5.645 5 40 JKBB O=C(Cc1ccc([N+](=O)[O-])cc1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 9095312 KPAMMJKUTKJHOC-UHFFFAOYSA-N 454.914 5.202 5 40 JKBB COc1ccc(Cn2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 9540790 VEKYNZNEUFFIDQ-UHFFFAOYSA-N 456.546 5.579 5 40 JKBB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 12516348 VBHBWIAUVVGNQF-OAHLLOKOSA-N 479.562 5.165 5 40 JKBB COc1cc2c(cc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)oc1ccccc12 12560087 KVZARMFJCPGACQ-RMKNXTFCSA-N 454.385 5.756 5 40 JKBB COCc1c(C(=O)O[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)sc2cccc(F)c12 12922072 CECZAYFORYWLBX-LLVKDONJSA-N 457.439 5.063 5 40 JKBB Cc1cccc(N(C(=O)c2ccc(OC(C)C)cc2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 13071886 YZTCEFBTTXRBPQ-UHFFFAOYSA-N 473.554 6.792 5 40 JKBB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 13129368 XDGMLNSFNPMOGC-MHZLTWQESA-N 485.580 5.742 5 40 JKBB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 13129560 NDQUMBDKEWLPHN-IAGOWNOFSA-N 475.545 5.478 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 13628664 DCEWMXCELNQXQE-UHFFFAOYSA-N 476.558 5.271 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 14272316 FZTVTZSDDHWZEM-UHFFFAOYSA-N 461.474 5.553 5 40 JKBB COc1cc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)ccc1-c1ccc(CO)o1 20151061 IPJBRNFRTBEYDE-KPKJPENVSA-N 474.469 5.576 5 40 JKBB COC(=O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)nc2c1 21191284 PBSHLSLGLGAQLO-YBEGLDIGSA-N 486.267 5.268 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C 32116572 UVZSZIADKVBJHU-UHFFFAOYSA-N 480.933 5.800 5 40 JKBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 96297411 BITHNFCOBAMDHH-FKBYEOEOSA-N 498.322 5.261 5 40 JKBB Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2cc(Br)ccc2O)c(C)c1 408603990 HYWDPMFSYUTVMD-UHFFFAOYSA-N 498.362 5.474 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(F)c1 408611554 SZYBVXHYMPRPPL-UHFFFAOYSA-N 461.287 5.696 5 40 JKBB CCOC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCCC2 409110261 ALIPVTURDFACOZ-LTGZKZEYSA-N 476.554 5.891 5 40 JKBB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C 898917 OOPYBSLCDAZIRL-UQBPGWFLSA-N 457.530 5.908 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1C 6172294 HNPQWHYNZGPHKG-UHFFFAOYSA-N 483.937 5.353 5 40 JKBB CCCCC(=O)Oc1cn(C[C@@H](CC)CCCC)c2nc(CCCC)n3c4ccccc4nc3c12 9293134 BJCOUHWAKRIOAA-NRFANRHFSA-N 476.665 7.492 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9460964 IITDOBAEBYTCST-GOSISDBHSA-N 467.569 5.393 5 40 JKBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-] 14271010 OQTFOOYLDBYBGB-UHFFFAOYSA-N 466.302 5.297 5 40 JKBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 40487536 UPLQGFQGTUNAID-GMAHTHKFSA-N 464.319 5.774 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214991433 SFUQVYSVXITWBI-LPYMAVHISA-N 480.929 6.064 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C 215177453 JXKTULKQNMTMNJ-UFFVCSGVSA-N 486.908 6.501 5 40 JKBB Cc1nnc(Sc2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)cc2[N+](=O)[O-])s1 408993688 WSDCOVYYDFMWSE-UHFFFAOYSA-N 457.562 5.162 5 40 JKBB COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 409183860 VUDDPYSNIIRSMK-VWLOTQADSA-N 496.903 5.143 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccc(Cl)cc1 409189691 NEDXKSSANDFTAR-FYJGNVAPSA-N 466.902 6.068 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 1846699 UPACAKVQPYTLQU-AWEZNQCLSA-N 463.921 7.131 5 40 JKBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(C)nc32)cc1 8836796 WLMISEYYUBWHCB-KRWDZBQOSA-N 483.572 5.520 5 40 JKBB CCCCCC(=O)Oc1cn(Cc2cccs2)c2nc(CCCCC)n3c4ccccc4nc3c12 9242883 WYNSMMXLNUHLEP-UHFFFAOYSA-N 488.657 7.165 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(-c3cccc(Cl)c3)nc2N1 9637937 RAQGGQSBOXDZHE-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2cccc([N+](=O)[O-])c2C)cs1 11397287 OUZDASAXAYWUAE-UHFFFAOYSA-N 479.436 5.420 5 40 JKBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)c([N+](=O)[O-])c1 12486802 DMGVEUKJCCWLTK-UHFFFAOYSA-N 464.934 5.898 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)nc1 16214764 PEMZPEWFKWBACO-UHFFFAOYSA-N 477.348 5.086 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCCc1ccccc1 22107648 CJDKTBUKTYUFDL-UHFFFAOYSA-N 455.942 5.080 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccc3c(c1)Cc1ccccc1-3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100038552 XNWFIGMQGJHVFZ-RMORIDSASA-N 477.432 6.552 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1Cl 215138917 SICKGWNRKPDPQE-DJKKODMXSA-N 493.299 6.537 5 40 JKBB COc1ccc(OC[C@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCC(C)CC2)c(C(C)(C)C)c1 226071404 KIIOGSWWJJBNPS-OCQNAOBNSA-N 471.618 5.088 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 408565119 BFUTWTPOJCOXGT-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 1714439 LXHQHTVWJSTJGP-NXZHAISVSA-N 492.484 5.878 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 8832112 MQIVXVHOLHYBIJ-UKTHLTGXSA-N 469.884 6.862 5 40 JKBB Cc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21 8836755 KJZMYWVHNGSTLK-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 17253638 DZQLBFSYEPOYJZ-NPWPFVJVSA-N 471.557 5.909 5 40 JKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 20151051 AVXMSKNPJKHAHB-XYOKQWHBSA-N 458.470 5.876 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22753186 LCWTYYSANFVKPX-UHFFFAOYSA-N 494.507 5.645 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(c1ccccc1)c1nc2ccccc2s1 48252613 WDHGURSYPWCQAS-UHFFFAOYSA-N 461.546 6.129 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 106685904 FUEGHCISJWWMLO-JAIQZWGSSA-N 470.890 5.753 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224616836 CDDBMLILDHTNSJ-DHIUTWEWSA-N 458.499 5.133 5 40 JKBB CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565153 IBVSSWMHGPOJOX-MQVPCNEGSA-N 498.366 5.094 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(Cl)cc1 408565346 BTGDTYBUHIEWQO-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 408822528 CDJLOVUSNAZEHC-UHFFFAOYSA-N 480.889 6.199 5 40 JKBB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4c5ccccc5C[C@@H]34)cc2)cc1 408993056 BRXBQGUWHJCDAW-NNFJYWIMSA-N 462.549 6.953 5 40 JKBB CCCCCN(CCCCC)[C@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 1593475 ORIJKPVNLCWKRL-HXUWFJFHSA-N 468.479 8.009 5 40 JKBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2303079 QHOURJWAOZPULL-UHFFFAOYSA-N 462.351 5.236 5 40 JKBB Cc1ccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3cc(Cl)ccc3c2=O)cc1 2619374 WMUQYWUWQHIADD-UHFFFAOYSA-N 495.944 5.415 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Br)=C\c2ccccc2)cc1/C=C\c1ccccc1 4701557 LYIOJFAVXFWPTG-NALWFHSCSA-N 451.276 6.566 5 40 JKBB CN(C(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)C1CCCCC1 12542889 DYQJIGCDXPENBD-UHFFFAOYSA-N 492.523 5.836 5 40 JKBB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc12 12616955 HQYRLSDLOFGMRD-ZDUSSCGKSA-N 484.921 5.141 5 40 JKBB CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl 408570888 MEJNIOPEJPQFRD-QGZVFWFLSA-N 471.341 5.530 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)N1CCc2ccccc2C1 409353838 SLHCXVBSTGXYPY-WGOQTCKBSA-N 478.573 5.614 5 40 JKBB CC(C)(C)C(=O)CCCO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc1ccc([N+](=O)[O-])cc1 1857794296 XYNHHFNDNTZGNK-WJOKGBTCSA-N 489.527 5.816 5 40 JKBB CC(C)(C)c1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(C(C)(C)C)c1O 2069079 YMGRBFVNLZUXBY-WQRHYEAKSA-N 456.926 5.893 5 40 JKBB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] 9846195 XULAMDFGNOESTD-UHFFFAOYSA-N 465.893 6.441 5 40 JKBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1Cl 10324327 ZWTZHVNTXFQONS-UHFFFAOYSA-N 494.356 5.120 5 40 JKBB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 14608266 OEHJBSGYWYPNPN-UHFFFAOYSA-N 487.613 5.426 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(Cn4cc(Br)cn4)cc3)nc12 22748415 DNKPEPMHQZXUAO-UHFFFAOYSA-N 490.390 5.178 5 40 JKBB Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCC[N+]3([O-])CCCCCC3)cc2)c2ccc(O)cc12 77272253 CFBANWAZVCOMGU-UHFFFAOYSA-N 486.612 6.344 5 40 JKBB in-vitro O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1CCCc1ccccc1 409138226 YYIOACZYKFZMRS-RCCKNPSSSA-N 461.499 5.451 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1866415 NUHJRVGMPLBRRW-AREMUKBSSA-N 498.447 6.076 5 40 JKBB O=C(COC(=O)c1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1)c1ccc(Cl)cc1 2196128 FDWJRLDIWLBDBZ-UHFFFAOYSA-N 495.918 5.197 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2318074 PCMJQHUMFBSRIH-UHFFFAOYSA-N 490.405 5.935 5 40 JKBB CCN(CC)C(=S)S[C@H](c1ccc2ccccc2c1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1 3199868 ASWWNCLHAPUWEZ-QFIPXVFZSA-N 488.656 5.889 5 40 JKBB O=[N+]([O-])c1cccc(Nc2nc(SCc3ccccc3)c(SCc3ccccc3)s2)c1 3351091 NANNQVNDPRAEAF-UHFFFAOYSA-N 465.625 7.380 5 40 JKBB O=[N+]([O-])c1cnc(N(Cc2cccc(Br)c2)Cc2cccc(Br)c2)nc1 4106801 BKAXASFBBDMMRQ-UHFFFAOYSA-N 478.144 5.117 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccs4)C[C@@H](C)C[C@H]3[C@H]2c2cccs2)n1 8455488 ZIIBGJLLXHGQHL-MXTTVENKSA-N 481.603 5.617 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 8832453 YQYVVPNYKZRNQE-OMDQHUAHSA-N 461.971 5.212 5 40 JKBB COc1ccc(Cl)cc1NC(=O)CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 8935179 HSXWGZQLTOAPEH-UHFFFAOYSA-N 471.853 5.529 5 40 JKBB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9441290 PBVCAKQGLYCIQB-ZDUSSCGKSA-N 452.850 5.056 5 40 JKBB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 14277809 JFTWYYGGFWNMPZ-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)CC1 20142850 MHKTWEKAVSYJQM-UHFFFAOYSA-N 469.925 5.489 5 40 JKBB COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(Br)cc3)c12 20183452 IDMXAYZBAAKHTP-UHFFFAOYSA-N 475.302 5.920 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22753181 DCFAPDGNHUVJHR-UHFFFAOYSA-N 494.507 5.645 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 33926912 GJIMZCRNDFWIFS-JUDWXZBOSA-N 493.519 6.025 5 40 JKBB O=C(CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 59497612 IZKDYAQGDSVQIG-UHFFFAOYSA-N 451.382 5.406 5 40 JKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 96022782 ULVBZNJPVCDMSU-UHFFFAOYSA-N 478.442 5.355 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 106701834 HOMVZBYZFXKDEU-OYKKKHCWSA-N 490.537 5.727 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 408568188 HVUICMQTNLFVAX-OAQYLSRUSA-N 485.367 6.861 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1Cl 408569209 JCRSMCPTJWAIMK-IBGZPJMESA-N 471.340 6.471 5 40 JKBB Cc1cccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)c1 409096770 GPBWHAZIWDHJLC-UHFFFAOYSA-N 457.437 5.716 5 40 JKBB O=C(Nc1cc(Oc2ccc(I)cc2)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 2756602 IIZAZXDBUJLICE-UHFFFAOYSA-N 494.672 5.897 5 40 JKBB CCCCCn1c2ccc(Br)cc2c2nc3cc(OCCC)c(OCCC)cc3nc21 3221631 OAMMSGKIVBDHJZ-UHFFFAOYSA-N 484.438 7.268 5 40 JKBB O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)c([N+](=O)[O-])c3)[nH]c2-c2ccccc2)c1 8435337 BAZRDGWJHVSSQQ-UHFFFAOYSA-N 465.263 5.990 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833006 OCQXMQIASJNABJ-UHFFFAOYSA-N 486.903 5.384 5 40 JKBB Cc1cccc(-c2csc(N3CCN(c4ccc([N+](=O)[O-])c(NCCc5ccccc5)c4)CC3)n2)c1 12462868 AYXMOBWJGKLLRH-UHFFFAOYSA-N 499.640 6.008 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 12657711 BDNMLJKYCIXWOS-UHFFFAOYSA-N 473.407 5.461 5 40 JKBB C[C@H]1CCC[C@@H](n2c(=O)c3ccc4c(=O)n([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c5ccc(c2=O)c3c45)[C@H]1C 248129314 AASLOMJBKLCZLF-XDNJPJQUSA-N 486.612 5.060 5 40 JKBB O=C(O)/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632698 HBOMDEYLKYCNNO-PDGQHHTCSA-N 467.894 5.042 5 40 JKBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)ccc1Br 408756901 KEIIZYJTAUIVTP-UHFFFAOYSA-N 487.309 6.287 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 409163961 AITOTAAKIAHIQT-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409348911 PYEXKFDTFNVEAB-YBFXNURJSA-N 483.889 5.685 5 40 JKBB CCOC(=O)c1cnc2c(c(Br)cc3c4cc(Br)ccc4[nH]c32)c1Cl 1567228 AXAIRFHZCRKHEI-UHFFFAOYSA-N 482.559 6.224 5 40 JKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)c1 2246538 XNJNTFNRSKWBNL-UHFFFAOYSA-N 459.465 6.336 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(Cl)c2)cc1 2254380 BSBBLRXAAGBXBZ-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB Cc1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)c(Cl)c2)cc1 3208263 LHHGQJFBFANOKB-UHFFFAOYSA-N 472.335 5.888 5 40 JKBB O=C(c1ccccc1)c1cccc(-c2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2-c2ccccc2)c1 6446741 SOAKVRAWTGFOEW-UHFFFAOYSA-N 461.477 6.256 5 40 JKBB Cc1csc(Sc2ccc(C(=O)OCC(=O)C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])n1 13098619 FHBWETSSKQFVGF-UHFFFAOYSA-N 472.588 5.453 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccs3)cc2)cc1 224760692 VSQBFGHTARQQHE-DHIUTWEWSA-N 490.635 6.380 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1C 408572708 RWGNKNWKKWEWDG-VWLOTQADSA-N 492.576 6.021 5 40 JKBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 408976702 SKMPREJKPTUQAZ-JJIBRWJFSA-N 491.528 5.806 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(C)cc(C)c2)cc1 2257705 KXCWJHSOJRICKA-UHFFFAOYSA-N 459.553 5.566 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)c(C)nc32)cc1 2315289 KJQQKYAMIPEKOV-GOSISDBHSA-N 459.553 5.764 5 40 JKBB Cc1ccc(Sc2ccc([C@@H]3Nc4ccccc4C(=O)N3c3ccc(F)cc3)cc2[N+](=O)[O-])cc1 3327697 ISPQKCBCMXWZLH-AREMUKBSSA-N 485.540 6.965 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 8871135 ZTHRCIVLCZHTNN-UHFFFAOYSA-N 475.980 5.834 5 40 JKBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nc2ccccc2s1 9359630 MDUYHLUHXJXDJG-FQEVSTJZSA-N 455.451 5.061 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc(-c2ccc(F)cc2)nc2ccccc12 12312030 QIQXEENWVDQGDH-UHFFFAOYSA-N 466.266 5.964 5 40 JKBB O=C(c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21)N1CCN(c2cccc(Cl)c2)CC1 13497274 ZQEHFGJCYOTKAH-UHFFFAOYSA-N 473.989 5.314 5 40 JKBB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 20970172 LLSKGFAELHALDN-XMMPIXPASA-N 487.947 6.088 5 40 JKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)oc2cc1C 21578696 WCDGIGRELRWSRN-UHFFFAOYSA-N 484.556 6.571 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 106702653 ZPTVCZWZOQQJPM-OYKKKHCWSA-N 490.537 5.727 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704012 IIANEGIRHUQSJG-QHCPKHFHSA-N 467.934 5.275 5 40 JKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccco1 408849451 YSFLHQAOHIVRJK-XNTDXEJSSA-N 494.868 5.620 5 40 JKBB CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@H]1c1ccccc1 408989499 KVOPCSWXCPRXIR-VWLOTQADSA-N 483.549 6.027 5 40 JKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 408993113 CNVVWACXNOJAIA-UHFFFAOYSA-N 466.449 5.531 5 40 JKBB Cc1cc(I)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409117651 OJKBDCYSLGNYLA-XSFVSMFZSA-N 484.293 5.687 5 40 JKBB COc1cccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1 409118340 PDYXFYOVZZWALR-MUUNZHRXSA-N 479.536 5.965 5 40 JKBB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 409183756 UOIJCJMQIJJDDB-MHZLTWQESA-N 483.955 6.922 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409356295 GBCJJZHTONXRDT-XDHOZWIPSA-N 483.889 5.685 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 409359809 YFYSTPMRZNEBEY-NDENLUEZSA-N 496.932 5.022 5 40 JKBB O=C(Nc1ccc2ccc3cccc4ccc1c2c34)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12483418 ZUVYGTOHUUGDCU-UHFFFAOYSA-N 482.970 8.705 5 40 JKBB CCc1ccc(C(=O)[C@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 12624712 DJWIXAGWHPKGMR-GMAHTHKFSA-N 471.542 5.058 5 40 JKBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 14269448 CSJRSOUNBVQYQS-UHFFFAOYSA-N 466.302 5.297 5 40 JKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 100187092 CRGLESUARFMDBY-UXUXNBJMSA-N 478.504 5.027 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224415181 JLWJLQNXIDPMMG-RPWUZVMVSA-N 490.516 5.575 5 40 JKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC(C)C 225677213 VEONUTUJMROCIO-UHFFFAOYSA-N 454.523 5.257 5 40 JKBB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 408814885 SLYODPAWESYEGL-NDDKWJIQSA-N 488.589 6.909 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1C 408929311 WBWYHCAQJFHNEU-MTJSOVHGSA-N 477.498 5.147 5 40 JKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 409178508 KKSAGLNXWDKEPY-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409216136 ICIOPYKVHVJRCS-JCMHNJIXSA-N 491.525 5.460 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 3091021 FXWMPIAUDCJGGR-UHFFFAOYSA-N 460.471 5.854 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1 6280066 KSODMUXQKVEIJR-UHFFFAOYSA-N 493.976 5.844 5 40 JKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 8871107 JKPUSGXSYJQFIB-UHFFFAOYSA-N 465.944 5.548 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 9142430 CLURXXUQCXJZSZ-UHFFFAOYSA-N 470.721 5.942 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9232586 OFOMMQZRIUDNIO-LPYMAVHISA-N 464.474 5.549 5 40 JKBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1nc2ccccc2s1 11614329 FYNSJPUCSWZTHT-HXUWFJFHSA-N 455.451 5.061 5 40 JKBB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12804758 YXFHJLBZOCSGIT-CQSZACIVSA-N 489.488 5.336 5 40 JKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223775569 CEXZLTMSIDJENG-DNQXCXABSA-N 472.526 5.436 5 40 JKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223830162 HGPALJHWEJRCRU-LOSJGSFVSA-N 485.569 5.356 5 40 JKBB CCOC(=O)C1=C(C)N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@H]1c1cccc(Cl)c1Cl 408990557 ODNNFLBFMVTQDM-IBGZPJMESA-N 480.373 5.672 5 40 JKBB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409240533 QFZQDEBVWBEUBI-WOJGMQOQSA-N 477.336 5.383 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 409386705 WTYSVYPRVPGEIK-UHFFFAOYSA-N 452.370 5.139 5 40 JKBB CC1(C)CC(=O)c2c(oc3c2cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc23)C1 6088610 SJOAVIYCVKRCNK-UHFFFAOYSA-N 464.499 5.450 5 40 JKBB Cc1oc2cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 8691495 GQZKGYOUCNWEFN-QFIPXVFZSA-N 496.516 5.131 5 40 JKBB aggregator CCCn1c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)nc2ccccc2c1=O 9127660 XKUYZAUMUBBPCG-QHCPKHFHSA-N 488.569 5.495 5 40 JKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccc(F)cc1F 9139020 WTNSYKMULLIJGZ-LJQANCHMSA-N 491.244 5.172 5 40 JKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NCc1ccc(Cl)cc1 13075052 JGBYSMJRMXYQGJ-UHFFFAOYSA-N 470.913 5.135 5 40 JKBB O=C(Oc1ccc(Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 13424200 BGGZYYMQNFJYOJ-UHFFFAOYSA-N 498.447 5.532 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(Cl)c1N1CCCCC1 21595569 FTPFSEROSWHKTA-WYMLVPIESA-N 451.910 6.150 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 57313011 QDYHMXYSKUWNKH-UHFFFAOYSA-N 472.570 6.360 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)cc1 408554798 FSJGAOPCSMISDD-UHFFFAOYSA-N 458.268 5.457 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 408632017 CPQIJLLFDRGKCL-ODLFYWEKSA-N 499.888 5.785 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)cc1 408782952 IZQOZRBISQXJRJ-AFHVAHMMSA-N 455.923 5.670 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 409179125 NHCZHYWKBUWITG-MHZLTWQESA-N 467.477 5.955 5 40 JKBB O=C(Nc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1)c1ccccc1 409180348 RKNYSQNXXPKNFB-UHFFFAOYSA-N 468.465 5.996 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 409184710 ZMEJZSBWZMGEKM-UHFFFAOYSA-N 491.503 6.597 5 40 JKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@H](C(Cl)(Cl)Cl)O[C@H]2C(Cl)(Cl)Cl 1615450 FHFYDARLLMBMPK-SFYZADRCSA-N 460.868 5.020 5 40 JKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCc1cccc(OC)c1 12690782 XUOZIGFTRQKRER-UHFFFAOYSA-N 454.504 5.080 5 40 JKBB CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14278416 HWWBTEGLGDAIGA-UHFFFAOYSA-N 484.560 5.524 5 40 JKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 101930816 GDTISWHJGTWRDK-IMWZJCIKSA-N 493.951 5.566 5 40 JKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 214208859 DXCIWXKEHKHFGF-SRZZPIQSSA-N 495.444 5.671 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224212962 YUXDMLBJGPOVSN-ZEQRLZLVSA-N 455.543 5.266 5 40 JKBB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225506721 KDZQBTNBBXVTCS-FQEVSTJZSA-N 451.567 5.299 5 40 JKBB Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1C 409098755 JSWWYFPQVWYJOA-UHFFFAOYSA-N 450.951 6.405 5 40 JKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 409181873 GDLAHVJOAOGSBB-XMMPIXPASA-N 466.877 5.134 5 40 JKBB O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 882776 FUIAVOKTLOZUQC-UHFFFAOYSA-N 451.552 5.013 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c(OCC)c(Br)ccc12 2075204 ROMDWOHKWJHXBB-UHFFFAOYSA-N 493.335 5.400 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2202691 ILDPXUCNTBBDJZ-UHFFFAOYSA-N 452.923 5.700 5 40 JKBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@@H](C)CC)cc1 2405761 WWYJADGNMIMWIG-SFHVURJKSA-N 469.589 5.532 5 40 JKBB O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)[C@H](O)c2ccccc2-3)cc1 4430069 HSIQHLQAKLYRAP-HHHXNRCGSA-N 467.481 5.772 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Br)cc3)c2ncn1C1CCCC1 8834541 PAQPFSWGPRWSRY-UHFFFAOYSA-N 460.335 5.161 5 40 JKBB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)o1 9354476 WZEAJZSZMAXYGL-GHTZIAJQSA-N 454.280 5.501 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 10059814 AITJYLDKSMIINP-FCHUYYIVSA-N 459.893 5.221 5 40 JKBB O=C(c1cccc2c(Br)cccc12)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16431521 BZERXYKGJAJAQA-UHFFFAOYSA-N 474.742 5.126 5 40 JKBB COc1cccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)c1 21579223 UXUCJCIGQOZWGF-UHFFFAOYSA-N 479.901 6.532 5 40 JKBB CCN1C/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2nc3ccccc3c(C(=O)O)c2C1 23295845 BRKARNXJNWOOGF-RVDMUPIBSA-N 489.915 6.131 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409175238 YKTUJEVSLUKRJY-UHFFFAOYSA-N 473.506 5.374 5 40 JKBB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2c1 1140430 KRKOVBFMLWERJO-MTJSOVHGSA-N 450.472 5.002 5 40 JKBB CCOC(=O)c1c(C(C)(C)C)oc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)cc12 1777763 HKKMGGMSHBCHKF-UHFFFAOYSA-N 476.323 6.157 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 2333140 RXKPCMHWDZPTCE-UHFFFAOYSA-N 453.590 6.296 5 40 JKBB O=C(NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 3121502 UDIDRYSXUGFECD-UHFFFAOYSA-N 467.201 5.898 5 40 JKBB CCCCC(=O)Oc1cn(-c2cccc(Cl)c2)c2nc(CCCC)n3c4ccccc4nc3c12 9124496 ZPUKGFFKQGCWRN-UHFFFAOYSA-N 474.992 6.918 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccncc1)c1nc2c(F)cc(F)cc2s1 10254329 UQNXULAXTMRFLH-ZZXKWVIFSA-N 452.442 5.124 5 40 JKBB CC(C)(C)P(=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)(N1CCCCC1)N1CCCCC1 12575292 MQZRGHCNDWFHKY-UHFFFAOYSA-N 465.491 5.445 5 40 JKBB O=C(Nc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1)c1ccccc1 13608740 JBSARGPPFXNSQE-UHFFFAOYSA-N 451.891 5.968 5 40 JKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16807632 YDAPZEGSPZUBPT-UHFFFAOYSA-N 493.541 5.133 5 40 JKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1 20145346 WUBVMGMTEVYNRN-UKTHLTGXSA-N 460.442 5.268 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc2ccccc12 106720505 ZYPHGTXZFWXIKE-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 223881250 XLPRHRMBLZTBNF-GOTSBHOMSA-N 458.499 5.133 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1 224482410 LCIBJRSBXOMSRL-DHIUTWEWSA-N 476.945 6.080 5 40 JKBB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225315977 RRKPCWMNFJNOCS-HHHXNRCGSA-N 487.600 5.002 5 40 JKBB COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCC(C)C 225756969 RHCQJVZEVKAPEV-UHFFFAOYSA-N 454.523 5.257 5 40 JKBB O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 408676556 DJISDTTZIXSDTE-WKEDTZOBSA-N 491.503 5.296 5 40 JKBB COC(=O)C(=Cc1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC 409080176 MIHWMZDTTNKDOV-UHFFFAOYSA-N 494.205 5.442 5 40 JKBB Cc1ccc(C(=O)O)cc1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O 1099271 RAZMBQVXCYHGIA-UHFFFAOYSA-N 463.445 6.264 5 40 JKBB Clc1cccc(-c2nc(-c3c4ccccc4cc4ccccc34)[nH]c2-c2ccccc2)c1Cl 13532650 UFGDDHRWAPJYHY-UHFFFAOYSA-N 465.383 9.024 5 40 JKBB O=C(NCCn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1c(F)cccc1F 17200945 ZIPIZWDXAOWJKH-UHFFFAOYSA-N 467.497 5.550 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)cc2[N+](=O)[O-])CC1 57313108 DAPWPMKUCUROLK-UHFFFAOYSA-N 472.570 6.360 5 40 JKBB CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)c4c(cc3c(=O)c2c1O)C=CC(C)(C)O4 85995919 PZWBBMGLWODZNF-UHFFFAOYSA-N 462.542 6.265 5 40 JKBB biogenic Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224213284 JJCBYBWLUWAYKA-DNQXCXABSA-N 455.543 5.266 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224386822 CPBDHFXDHFVSQH-IZZNHLLZSA-N 484.581 6.550 5 40 JKBB Cc1c(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cccc1[N+](=O)[O-] 224956147 ZCJNKQJVNSGCLU-UHFFFAOYSA-N 478.302 6.240 5 40 JKBB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2053274 UQTWTIVDYRAPGA-UHFFFAOYSA-N 483.234 5.326 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1ccccc1 2249675 AUBBYFFSLUGQOS-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB CCCCOCCCn1cc(OC(=O)CCCC)c2c1nc(CCCC)n1c3ccccc3nc21 9243003 RMGDTCMZXSJSBQ-UHFFFAOYSA-N 478.637 6.482 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2cc([N+](=O)[O-])ccc21 12311766 OIVBDKFLTUPJLY-UHFFFAOYSA-N 482.949 5.635 5 40 JKBB O=C(CSc1ccccn1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 59364921 MIMIKLSBKCETTG-UHFFFAOYSA-N 468.585 5.623 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 59559229 NQOAEVHTFWCYJY-MDWZMJQESA-N 476.964 5.222 5 40 JKBB COc1ccc(-c2nc(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cs2)cc1 62271378 MPDLAUUHJOHPNW-UHFFFAOYSA-N 478.496 5.068 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)cc1[N+](=O)[O-] 226363947 UOJNWHMOKUXBFC-JLHYYAGUSA-N 488.952 7.659 5 40 JKBB COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408621536 ONXZSSXQUQAOEU-UHFFFAOYSA-N 464.861 6.561 5 40 JKBB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c1=O 2401276 PDGTVMNCXXJOKJ-UHFFFAOYSA-N 485.370 5.615 5 40 JKBB biogenic O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4F)n3C3CCCCC3)c1)OCOC2 3304151 MNFWPPFEKUSZQI-UHFFFAOYSA-N 470.526 5.656 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1 5944364 IEKOMIKXHKNHGE-UHFFFAOYSA-N 486.572 5.997 5 40 JKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 8590702 XBNDBVLFVBOOKS-UHFFFAOYSA-N 484.320 7.177 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 12563089 OXHYPPGXGDKUJE-UHFFFAOYSA-N 452.392 5.719 5 40 JKBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccc(Cl)cc3c2=O)cc1OC 101337060 QGLJRBQOGGXHJB-UHFFFAOYSA-N 480.860 5.291 5 40 JKBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3ccccc3c2=O)cc1OC 101344104 FBCGANSPXNDNJF-UHFFFAOYSA-N 462.483 5.106 5 40 JKBB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225506871 AUSVAFMRJLCAPO-UHFFFAOYSA-N 451.567 5.300 5 40 JKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCC(C)C 225757294 ODQYXCAKPAIZBQ-UHFFFAOYSA-N 468.550 5.647 5 40 JKBB CCn1c(S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)O)nnc1-c1ccc(Cl)cc1 408634146 PQRNIERCCQEKFH-JLPGSUDCSA-N 485.996 7.143 5 40 JKBB COc1ccc2[nH]c(=O)c(-c3nc4c([nH]3)c3c5cccc(C)c5ccc3c3occ(C)c43)cc2c1 1547212338 GXCIHDPICYFGKL-UHFFFAOYSA-N 459.505 6.749 5 40 JKBB biogenic O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 2238781 YSDZRIMONMINLY-UHFFFAOYSA-N 452.879 5.183 5 40 JKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3138268 MBCQEKVKDAUAGP-UHFFFAOYSA-N 458.213 5.274 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccs1 3283029 GIUYUAPUYSSKLB-UHFFFAOYSA-N 482.539 5.317 5 40 JKBB COC(=O)CCCCCCCCCCNC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] 8442330 VYEPJLOWRSUCKT-UHFFFAOYSA-N 484.593 5.896 5 40 JKBB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1OC 9066161 VGVNCZNCXONYBD-UHFFFAOYSA-N 462.458 5.527 5 40 JKBB biogenic Cc1cc(C(=O)Nc2ccc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)cc2)ccc1[N+](=O)[O-] 9113429 QBDLVBKREXNSNO-UHFFFAOYSA-N 476.492 5.930 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 13115198 KMQNFERMOTWBEE-KRWDZBQOSA-N 471.951 5.567 5 40 JKBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 13150027 MUHZORWOLWNBQD-CQSZACIVSA-N 470.865 5.233 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13541089 LTUBORRLMJGHQI-NLJXWPIHSA-N 499.592 5.030 5 40 JKBB O=[N+]([O-])c1cccc(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)c1 13960718 VBVPKVLNDBJWFP-UHFFFAOYSA-N 470.273 6.214 5 40 JKBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269572 QTPMOFWFQGESDN-UHFFFAOYSA-N 453.351 5.019 5 40 JKBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1Cl 39768597 VPNSZHHBOAGAKP-UHFFFAOYSA-N 498.282 5.456 5 40 JKBB Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)oc2c1 59294334 ZMOWELOOAYJTNK-UKTHLTGXSA-N 499.910 7.277 5 40 JKBB Cc1ccsc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn21 102674896 BFQAIKYJKKHEJU-GOSISDBHSA-N 453.549 5.520 5 40 JKBB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 409017691 STLNRVZEMYTEJK-SNVBAGLBSA-N 469.306 5.155 5 40 JKBB O=C(Oc1c(Br)cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 2162752 COAKHCPWHNIORJ-UHFFFAOYSA-N 469.553 5.157 5 40 JKBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc3ccccc23)c1 6142076 VVMHPAGDGIVPAF-UHFFFAOYSA-N 471.498 5.236 5 40 JKBB CC[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)C12CC3CC(CC(C3)C1)C2 8868046 DTAOUQILWHMKKA-XJVZSZGSSA-N 497.617 5.120 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8900528 RDQPXXHXFLCAEP-UHFFFAOYSA-N 492.539 5.643 5 40 JKBB CCOc1cc(/C=C/c2nc3ccccc3s2)ccc1OCCn1c([N+](=O)[O-])cnc1C 9156681 HSHDRSMHSDHAIU-PKNBQFBNSA-N 450.520 5.358 5 40 JKBB CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(Nc3ccccc3[N+](=O)[O-])C2=C(N2CCCCC2)C1 13302891 WPHJFBREQMWOBC-UMSFTDKQSA-N 479.521 6.594 5 40 JKBB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 14277846 BHIDUYFMLDSJRJ-UHFFFAOYSA-N 490.947 6.471 5 40 JKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 14278688 KQMDKZXKHVQJHS-GORDUTHDSA-N 490.535 5.434 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 22535943 KWHUFFAXMGEYKX-VQHVLOKHSA-N 454.273 5.287 5 40 JKBB O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214906095 XLINKLPHNHURSW-XQNSMLJCSA-N 476.510 5.289 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214979709 VSPQPJQMMNVMJR-VXLYETTFSA-N 485.861 5.653 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)S2)cc1 408769143 OVDXOXGOLDQOGN-GJFKPFFXSA-N 461.543 5.336 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([N+](=O)[O-])c1 409182132 JJWIPFTZWGCUQV-FQEVSTJZSA-N 485.246 5.047 5 40 JKBB COc1cccc(-c2nc(O)c3c4c(sc3n2)CCCC4)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409270579 QZCNEAMMTVNIEE-UHFFFAOYSA-N 494.485 5.560 5 40 JKBB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c(C)c1 409374376 NXZSFVVEIHZNJG-CIAFOILYSA-N 491.525 5.455 5 40 JKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)c(C)nc32)c1 2304146 BFMTWGURKQPSIW-UHFFFAOYSA-N 459.553 5.452 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Br)cc3)c2ncn1Cc1ccccc1 2318031 XBPKZLXEOSRCMM-UHFFFAOYSA-N 482.341 5.094 5 40 JKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2414530 IYDAEBCASWOHIX-ZDUSSCGKSA-N 462.351 5.326 5 40 JKBB CC1(C)CC(COC(=O)c2c3ccccc3c3ccc4cccc5ccc2c3c54)CC(C)(C)N1O 5639602 JVRALYMPNFPWDG-UHFFFAOYSA-N 465.593 7.552 5 40 JKBB Cc1cc(C(C)(C)C)cc(S(=O)(=O)Oc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C 8870316 PKFKTKTYPVZPAN-UHFFFAOYSA-N 499.545 5.929 5 40 JKBB O=[N+]([O-])c1cccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)c1 10372604 SZHCZWWNCCJWPH-UHFFFAOYSA-N 455.311 7.393 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3O)nc2c1 14275055 LPUXVTZLZQGHEX-UHFFFAOYSA-N 476.514 5.161 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16545299 LPDQHXFKXVUTAU-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc([N+](=O)[O-])c2)c2ccccc2)c1C 26770797 FNPMKAZZCWIIST-DEOSSOPVSA-N 457.555 6.727 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 27019735 CVLKRSGBYXRUKJ-UHFFFAOYSA-N 484.839 5.303 5 40 JKBB Cc1nnc2sc(-c3cccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nn12 59294168 VRXVQRHSCIRHEZ-UHFFFAOYSA-N 470.923 5.190 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224348105 SHQOOYOHLJRIJG-DQEYMECFSA-N 470.554 5.989 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)o1 408635300 YUKWEDAFZSGUHS-ODLFYWEKSA-N 482.905 5.820 5 40 JKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1 408749126 DQUXDFBFJKAUQG-UHFFFAOYSA-N 481.942 5.951 5 40 JKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408812357 ONVNUXHQFRCHDT-MTJSOVHGSA-N 493.453 5.545 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 408930593 ZEGMYYQEWYUNMA-ODLFYWEKSA-N 482.290 5.019 5 40 JKBB CN(C)c1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408975111 HQLVKFKYXHJSST-UHFFFAOYSA-N 475.581 5.754 5 40 JKBB CCC(CC)COC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 1899650 NFXCPWCERVGJHI-UHFFFAOYSA-N 467.913 5.311 5 40 JKBB CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1944464 KSODLEMUCPCPEQ-CQSZACIVSA-N 460.552 5.002 5 40 JKBB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2237205 WOTGECRIIBEOCZ-OAQYLSRUSA-N 469.478 5.369 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccccc2)nc2ccccc12 3245274 BXXJGBITZKKRAQ-INIZCTEOSA-N 471.469 5.003 5 40 JKBB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1Cl 3770753 TZPOTXRRYYNEJH-UHFFFAOYSA-N 482.905 5.192 5 40 JKBB O=C(CCc1nc2ccccc2s1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 9441515 NPTCSGMVUKCIQL-HSZRJFAPSA-N 495.944 5.714 5 40 JKBB CC(C)(C)[P@](=Nc1ccc([N+](=O)[O-])cc1)(Nc1cccc(C(F)(F)F)c1)c1ccncc1 13114376 QBYXDZPEMPQMPU-JGCGQSQUSA-N 462.412 6.992 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 14272354 VBIXCRJZHNHLCZ-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 25397079 AXNGQJYYUHOPLR-UHFFFAOYSA-N 475.545 5.191 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 223881184 XLPRHRMBLZTBNF-XZOQPEGZSA-N 458.499 5.133 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224313409 ZXIFVDIUMLWPBV-LOSJGSFVSA-N 469.570 5.574 5 40 JKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC(C)C 225757150 VVDINQDXCGKKGJ-UHFFFAOYSA-N 454.523 5.399 5 40 JKBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2cccc4ccccc24)C3=O)c1 408995800 NKTSZXKQTMFJOU-UHFFFAOYSA-N 488.455 6.067 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(-c2ccccc2)cc1 409055751 PQZVFCNNSZFRGB-UHFFFAOYSA-N 495.535 7.444 5 40 JKBB CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 2313078 YDNWKTNWPHJNFB-UHFFFAOYSA-N 483.484 5.548 5 40 JKBB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1CCc1ccc(Cl)cc1 2647315 UJJKQWYJDALMAX-UHFFFAOYSA-N 486.018 6.494 5 40 JKBB CCCCOC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)cc1 6077972 ZSJHTGBXGIEUDC-UHFFFAOYSA-N 451.483 5.146 5 40 JKBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8831801 KELMCZYBIBOKHT-UHFFFAOYSA-N 463.881 5.304 5 40 JKBB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 9508897 DFLKZKUWYPQBFT-INIZCTEOSA-N 477.521 5.160 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 13388943 KVLTUAORPMWDPX-UHFFFAOYSA-N 464.934 5.898 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cc(N2CCOCC2)c2ccccc2c1Cl 16525366 MGYLBHOAHNVWAJ-UHFFFAOYSA-N 452.816 6.049 5 40 JKBB Cc1cccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc3cc(Cl)ccc3c2=O)c1 20974892 ZCSJCUXFIMMENC-UHFFFAOYSA-N 494.960 5.295 5 40 JKBB Cc1ccc2oc(-c3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)nc2c1 21595932 BQVMTGTXMPBSJM-UKTHLTGXSA-N 499.910 7.277 5 40 JKBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1sc2cc(Cl)ccc2c1Cl 34896507 KJXPAEBBSGEHFU-UHFFFAOYSA-N 460.751 5.897 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1Br 106727924 MPPCGGFRESWPKL-NVNXTCNLSA-N 453.701 5.247 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl 214426805 CNBXJTMSFCVXMQ-VXLYETTFSA-N 475.309 6.398 5 40 JKBB O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215246775 JHVOJRZIOULTFU-XQNSMLJCSA-N 476.510 5.289 5 40 JKBB O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 408558961 WVSFQUOGCUKINR-JOCHJYFZSA-N 475.353 6.259 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1Cl 408573272 AGSSBSRCSKDYRF-UHFFFAOYSA-N 481.917 5.455 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc2ccccc2c1 408577014 YJBDAZUSXULOKH-AREMUKBSSA-N 466.537 6.707 5 40 JKBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)c1ccc(Cl)cc1 9062446 ABBUXSIMIVWXGC-UHFFFAOYSA-N 479.905 5.271 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 9233109 PUQIOMBZMOYLAU-YDZHTSKRSA-N 494.500 5.558 5 40 JKBB COc1cc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c(C)cc1[N+](=O)[O-] 9662155 SZZUWZBXBHLJNC-UHFFFAOYSA-N 466.544 5.314 5 40 JKBB O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(Nc2ccnc3ccccc23)cc1[N+](=O)[O-] 13283725 MXGOPNVMLYFVTE-UHFFFAOYSA-N 476.496 6.278 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205652671 JFVLULZDNUAOJT-VCHYOVAHSA-N 475.309 6.398 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 214225552 RBJVYXRFRBAVLJ-SRZZPIQSSA-N 495.444 5.671 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224254838 FPBYXGRFAZPVDA-BJKOFHAPSA-N 456.527 5.735 5 40 JKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)C1 408976897 USHSULIYMDASFI-RBSBEOHCSA-N 461.569 5.920 5 40 JKBB CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C 2053019 FVNUNIDBZQIAGI-FNZWTVRRSA-N 471.557 6.298 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(-c3csc(Nc4ccc5ccccc5c4)n3)cc2)cc1 2053334 JXRNUTOJTKMJNW-UHFFFAOYSA-N 453.523 7.194 5 40 JKBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1Sc1ccccc1[N+](=O)[O-] 2713931 RHOZVEYHPIFSIQ-UHFFFAOYSA-N 476.470 5.368 5 40 JKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ncc(C(F)(F)F)cc1Cl 3269263 VXYMRKYTZIUXAG-UHFFFAOYSA-N 458.823 5.856 5 40 JKBB aggregator O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 10059812 AITJYLDKSMIINP-FGZHOGPDSA-N 459.893 5.221 5 40 JKBB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13163283 SETSMJBACWURFQ-OLZOCXBDSA-N 489.450 5.404 5 40 JKBB CCOc1cc(/C=C/C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(Cl)c1OC 17717679 ROWYSOBVSFJTND-KADSFNECSA-N 473.869 5.023 5 40 JKBB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 408683715 NNVLQPYOYUJBHJ-LADGPHEKSA-N 481.508 5.360 5 40 JKBB Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1C 409096415 JSHQKUSQFRWCSS-UHFFFAOYSA-N 471.464 6.024 5 40 JKBB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 409116658 LGVCVUTUPSORKG-UHFFFAOYSA-N 456.926 6.237 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2Cl)N1Cc1ccccc1 409139863 PBVZYPGUJFAFRJ-HHHXNRCGSA-N 483.955 6.610 5 40 JKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 409310048 PPHFOSPGPFUARW-CLTKARDFSA-N 478.288 5.251 5 40 JKBB COC(=O)c1c(-c2ccccc2)cc2c3cc(-c4ccccc4)c(C(=O)OC)n3c3ccccc3n12 1628621 BFFOXZBJILCARI-UHFFFAOYSA-N 474.516 6.252 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2247662 BMZMTGCDWUACEG-UHFFFAOYSA-N 474.362 5.470 5 40 JKBB O=C(O[C@H](CCc1nc2ccccc2s1)c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3241357 XWFOXKHPGVVGJP-LJQANCHMSA-N 475.551 6.345 5 40 JKBB O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 3447159 NZPKBGPDHIZLAB-UHFFFAOYSA-N 457.433 5.605 5 40 JKBB O=C1N/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(Br)cc1 8451616 SODSGJMNCXMNGI-OEAKJJBVSA-N 457.327 5.848 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Sc1ncnc2ccccc12)c1ccccc1 9539635 WPXGFPRIQWSZAY-FQEVSTJZSA-N 450.907 5.664 5 40 JKBB COc1ccc(-c2cc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc3sc(=O)oc23)cc1 16749847 CYJFRJFTNIQZRV-UHFFFAOYSA-N 457.847 5.311 5 40 JKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 22745027 VGKMSYMITFYQAR-UHFFFAOYSA-N 487.339 6.234 5 40 JKBB CCCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2ccc(C(F)(F)F)cc21 23553161 WXHUMHOQWUYPIJ-UHFFFAOYSA-N 452.458 5.413 5 40 JKBB CCOC(=O)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1 24522769 QEFHOSIHQLCKBC-NTCAYCPXSA-N 455.470 5.464 5 40 JKBB O=C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 27521277 QSQSITHWEDKMEL-UHFFFAOYSA-N 459.683 5.494 5 40 JKBB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O 32124586 VVSXQOKGUSXYBY-MOSHPQCFSA-N 486.571 5.434 5 40 JKBB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 34800051 KNWXHOQDXDCSDW-SOLBZPMBSA-N 463.534 5.295 5 40 JKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OCC 225677161 JTVNAFMSDITEFY-UHFFFAOYSA-N 454.523 5.401 5 40 JKBB COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)cc1 408821209 DRWJOWVATDUJDW-UHFFFAOYSA-N 459.527 6.263 5 40 JKBB O=C(Nc1cccc(Br)c1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975098 KBHNRSVSPFPMQD-UHFFFAOYSA-N 480.325 5.894 5 40 JKBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1 409179904 PNKBLDKRZKXASU-UHFFFAOYSA-N 459.483 5.328 5 40 JKBB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 8832999 NKIDTGPNLITCCZ-UHFFFAOYSA-N 491.013 5.368 5 40 JKBB CC1(C)CCCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 9465201 QTNXFRHKIMCDIV-UHFFFAOYSA-N 481.596 5.865 5 40 JKBB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1COc1ccc([N+](=O)[O-])cc1 9763832 WDPLHCSPWJAVMA-HHHXNRCGSA-N 499.498 6.093 5 40 JKBB CC(=O)N(c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1)c1c(C)cccc1C 12909514 AUAXFCGSIBDWMO-JXMROGBWSA-N 450.545 6.133 5 40 JKBB FC(F)Oc1ccccc1-c1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13643969 VSVICGZFUINXME-UHFFFAOYSA-N 495.461 6.760 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 14277868 CJXDIQQIZLJIFL-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 105576358 KMQRNRKGXBCUCE-UHFFFAOYSA-N 491.441 5.454 5 40 JKBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 224589106 XQYYIDLTBTXCAW-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408638384 CAQINDQZQJYDPB-HNNXBMFYSA-N 451.866 5.032 5 40 JKBB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409376793 BEGMEGZNUIANOG-OAQYLSRUSA-N 485.949 5.595 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccc(Cl)cc3)nc2N1 940774 GWUIPYQTRBUOJP-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc(Cl)c2c(c1)Cc1cc(Cl)ccc1-2 1715672 OHRLDETYMRUJJQ-UHFFFAOYSA-N 456.328 6.382 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(C(F)(F)F)c2)cc1 2251705 YHVCPAYMJGWKJV-UHFFFAOYSA-N 485.469 5.659 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1ncnc2ccccc12)c1ccccc1 3297616 FEAIPVUQFOBOAW-FQEVSTJZSA-N 450.907 5.664 5 40 JKBB COc1ccc(Nc2cc3sc4cc(C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 4497828 KIZQAADLVSJGAZ-UHFFFAOYSA-N 464.546 6.470 5 40 JKBB biogenic COc1ccccc1-c1c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)n[nH]c1C(F)(F)F 9244363 KENXFPXRPQAKKT-UHFFFAOYSA-N 485.418 5.964 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 13134061 MFWWICBCDMOQEH-GEYWLOKFSA-N 480.590 5.421 5 40 JKBB CC1(C)[C@@]2(c3ccccc3)[C@H]3[C@@H](Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C[C@@H]3[C@@]12c1ccccc1 45070208 PKVJOCRCDBBKCX-PPTYFDBNSA-N 456.498 5.816 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1 215185960 CKVOCZYAHIOZNB-KEBDBYFISA-N 488.880 5.892 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224221899 NQVXXWBENKKDME-BJKOFHAPSA-N 456.527 5.735 5 40 JKBB O=[N+]([O-])c1cccc(NC(=S)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 408735689 VHCSVABIHUUSEW-UHFFFAOYSA-N 477.549 6.681 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1 408786841 ONJRNTZGSCHBEQ-AFHVAHMMSA-N 455.923 5.670 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(=O)OC)C1 2742259 ZIUILEVCJGYBHX-GFCCVEGCSA-N 464.971 5.890 5 40 JKBB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 4014473 SZTQYMAYYWVFGO-UHFFFAOYSA-N 453.282 5.807 5 40 JKBB CN(C)c1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 9008993 WGCKGYUFBBLHEK-QUMGSSFMSA-N 473.960 5.302 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 13134058 MFWWICBCDMOQEH-DBHNTLKXSA-N 480.590 5.421 5 40 JKBB C[C@@H](S[C@H]1N=NC(c2ccccc2[N+](=O)[O-])=N1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 16322386 WQBJTRFJCDYPBT-CQLKUDPESA-N 472.741 5.811 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)cc2[N+](=O)[O-])CC1 72229999 ZTQIMRHKENHXRS-RUZDIDTESA-N 479.964 5.819 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102740203 LWEZYILARCYFKV-AREMUKBSSA-N 467.525 6.701 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223830112 HGPALJHWEJRCRU-RPBOFIJWSA-N 485.569 5.356 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1 225061136 KEOPTCXEUACTSF-CLJLJLNGSA-N 499.596 5.725 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1 408570604 LNDOFXBEJYIHOC-VWLOTQADSA-N 490.585 5.664 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409160118 XUPCAEWXEOTCKD-NHDPSOOVSA-N 495.488 5.286 5 40 JKBB Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 409178543 MKMSRUFMIZBNMJ-OAQYLSRUSA-N 454.822 5.246 5 40 JKBB COc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409353068 GFONKIHAOYKKMQ-NDENLUEZSA-N 493.453 5.545 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1C 409356664 GXWSRSLVUIXSCF-MFKUBSTISA-N 466.562 6.285 5 40 JKBB COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3409880 QGJMRQGBMGUDOV-FQEVSTJZSA-N 499.951 5.599 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2s1)Nc1ccccc1 3666286 LUMTZLIIWTXDFR-UHFFFAOYSA-N 464.528 5.188 5 40 JKBB C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCC(CCC2CC[N+](C)(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 4683887 IUMKDYFJHGUQSH-UHFFFAOYSA-N 496.652 5.697 5 40 JKBB COc1cc(C)c(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 9477486 RVXKYCNNXXYSED-UHFFFAOYSA-N 492.475 6.343 5 40 JKBB Cc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(C)cc3)c2Br)cc1 13960574 PNBWYFPFRSMANP-UHFFFAOYSA-N 462.347 6.553 5 40 JKBB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 20610044 HKDJBZKIRPEMMH-NTCAYCPXSA-N 481.468 5.249 5 40 JKBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1 22108232 WJBNWJGIKUVPFI-BKJLSBSTSA-N 478.504 5.027 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 32116767 VBYKLHKLDLTPGO-UHFFFAOYSA-N 499.233 5.032 5 40 JKBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 57312873 UHMHCKRBBSWYPD-UHFFFAOYSA-N 464.890 6.227 5 40 JKBB Brc1ccc(-c2ccnc3c2ccc2c(-c4ccc(Br)cc4)ccnc23)cc1 85223916 QALMOXHIAPMJAB-UHFFFAOYSA-N 490.198 7.642 5 40 JKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 103647427 CGVGFUBMQWQPNR-CALCHBBNSA-N 481.545 5.191 5 40 JKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F 214324880 DORWRKSZOICRHF-SRZZPIQSSA-N 495.444 5.671 5 40 JKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OCC 225757111 JZNVCMAQVUFRIY-UHFFFAOYSA-N 454.523 5.401 5 40 JKBB CCCc1nc(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408630547 BLIBSZMMJPLVOH-GZTJUZNOSA-N 476.967 5.688 5 40 JKBB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2265783 ZRNIKNIJSNLHNY-QHCPKHFHSA-N 459.498 5.337 5 40 JKBB CCCc1ccc(-c2csc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1 8824563 GLEMNLQVACSDFW-UHFFFAOYSA-N 480.575 5.203 5 40 JKBB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 9007580 RGMNHAFWFHDJKK-ISKFKSNPSA-N 494.345 5.998 5 40 JKBB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 9030729 VIMLNVUNMLBEJD-UHFFFAOYSA-N 456.520 5.050 5 40 JKBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9233359 CNAQKBFKSXNGNB-YBFXNURJSA-N 474.325 5.929 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)c1 9311736 ICSPUDWAPCDQDY-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 13302035 OICFMWBDNMEDPC-XIQJAZNISA-N 471.944 6.685 5 40 JKBB CCO[P@@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 16688044 SIAZUKNREOTDBD-XSJBNIOMSA-N 480.417 5.741 5 40 JKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)CC2)cc1 21124243 VHCKGYMHLTZBCW-UHFFFAOYSA-N 492.963 5.025 5 40 JKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(OC(F)F)cc2)c1 44088233 NBVCEFFDCABVTI-UHFFFAOYSA-N 471.460 6.480 5 40 JKBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 57317044 KDIDRVDFSCASAG-UHFFFAOYSA-N 484.350 5.538 5 40 JKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)c1 102764280 GAKKYNOMRHWHNP-UPVQGACJSA-N 478.346 6.216 5 40 JKBB Cc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 105916920 WTVJLSVGIAMVHZ-GGAORHGYSA-N 454.313 6.452 5 40 JKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409012588 QSOWIMKHTPAANE-MDBUFAAASA-N 491.363 5.771 5 40 JKBB CCOc1cc(CNc2ccc(OC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409117279 QTDMCRFFPPOLBH-UHFFFAOYSA-N 487.350 5.956 5 40 JKBB COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1Cl 1408946 ISNMPYRMEQAZIE-XBXARRHUSA-N 498.326 5.604 5 40 JKBB O=C(COC(=O)c1oc2ccccc2c1CSCc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 3447492 IGZOYTDKXIDTPQ-UHFFFAOYSA-N 494.500 5.709 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474825 LHYUCJMJDDBRBX-UHFFFAOYSA-N 465.922 5.227 5 40 JKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)C(O)=Nc2ccccc21 8687425 SZWAKOQULGKTKX-QFIPXVFZSA-N 450.458 5.330 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2cccc(C(F)(F)F)c2)c2ccccc2)c([N+](=O)[O-])c1 12616873 VLNMSDAZRAEXQZ-ABSORMQESA-N 484.430 5.858 5 40 JKBB O=[N+]([O-])c1ccc([C@@H]2N(c3ccccc3)N=C(c3ccccc3)N2c2ccc(Cl)cc2)cc1 16478045 TWXFHGWLUBQADO-SANMLTNESA-N 454.917 6.635 5 40 JKBB C[C@@H](Sc1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1)C(=O)NC(c1ccccc1)c1ccccc1 30835615 GFKRQAWRMPOBFR-QGZVFWFLSA-N 458.543 5.371 5 40 JKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223829814 IFMRVRLSAFBHGG-DQEYMECFSA-N 485.569 5.356 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C)c1 409177838 JHSPFAJXQQYCNM-AREMUKBSSA-N 460.486 5.098 5 40 JKBB O=S(=O)(Nc1ccccn1)c1ccc(NCc2c3ccccc3nc3cc(Cl)ccc23)cc1 5614308 UQBYJOVTHNADDJ-UHFFFAOYSA-N 474.973 5.849 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1[N+](=O)[O-] 9064842 RKNBICTUPPXXQV-SOFGYWHQSA-N 462.314 5.688 5 40 JKBB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1OC 9359242 GIZACVMZELPADB-HYBUGGRVSA-N 465.893 5.508 5 40 JKBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 12524975 GPSXUODMJRQHKW-HXUWFJFHSA-N 495.535 6.058 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 13644010 GSSMRONQGFXPLG-UHFFFAOYSA-N 496.379 6.650 5 40 JKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14278086 VMVGWMDOCYMZCX-UHFFFAOYSA-N 484.556 6.687 5 40 JKBB C[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N21 15134563 CHMLMVVLVGKIDN-WINIVTDRSA-N 450.494 6.161 5 40 JKBB Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)CC2=O)cc1 16292910 HOYWOQPDBJTLCT-GOSISDBHSA-N 480.904 5.445 5 40 JKBB O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2ccc(Cl)cc2)c1 16428435 SUGDKWMNUWBSRV-UHFFFAOYSA-N 460.277 6.190 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)[C@H]1CCC 17014730 AEFDHDCVJCRGQK-KCWPFWIISA-N 492.576 5.653 5 40 JKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22710581 MOIGZAKVTALJIE-UHFFFAOYSA-N 474.542 5.269 5 40 JKBB Clc1ccc2c(c1)/[N+](=c1\ccc3nc4cc(Cl)ccc4sc-3c1)c1ccccc1S2 104240332 GZGKOQJECZRDTL-LQKURTRISA-N 464.422 7.608 5 40 JKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223782800 OPUCXQPATCPDGN-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224354858 ZNRRVLOPLLMZQZ-LOSJGSFVSA-N 470.554 5.989 5 40 JKBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1cccc(Cl)c1 408560053 ZUXZOOZYXRVOGO-UHFFFAOYSA-N 489.937 5.008 5 40 JKBB Cc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1C 409023793 PXVSGYDTCKGASU-UHFFFAOYSA-N 473.532 7.346 5 40 JKBB CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)s1 1815386 JXEIGNVQVVRYBL-IBGZPJMESA-N 496.932 5.154 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3cc(Cl)cc(Cl)c3)c2ncn1-c1ccccc1 2344092 QOQHKYGABPPSPS-UHFFFAOYSA-N 458.308 5.580 5 40 JKBB Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 2451404 MGZANWVJIRXDOS-DEOSSOPVSA-N 456.527 5.531 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 4122549 CDMNGCCJZUVSMD-UHFFFAOYSA-N 464.528 5.007 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccc(C)cc4)CCC[C@@H]3[C@H]2c2ccc(C)cc2)n1 4489214 JUQKZCJFATZVTA-MCXBMFRTSA-N 483.572 5.865 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 6474875 OGKHBCOBDUTJPS-UHFFFAOYSA-N 457.342 6.442 5 40 JKBB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc12 8922851 XIDCKMYNRMGUJG-UHFFFAOYSA-N 461.426 5.413 5 40 JKBB biogenic CCCOc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 13557320 GMKANNCTRKDARJ-XMMPIXPASA-N 466.493 5.781 5 40 JKBB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)Nc1cc([N+](=O)[O-])ccc1Cl 89827754 JRVZBZMTORSYNA-PHBHNISSSA-N 468.937 5.268 5 40 JKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccco1 102648392 HIPOUBMEQUKABJ-AFJIDDCJSA-N 499.567 7.318 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1Br 215092955 VCFVIBLZRXORBV-YBFXNURJSA-N 485.315 5.854 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223918461 JKNXNTMNWYRXGA-RPBOFIJWSA-N 485.569 5.493 5 40 JKBB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 408640303 IRLNBGBCSHWKGM-HXUWFJFHSA-N 487.556 6.119 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1 408916255 AICGDPFHQWUOPA-RGVLZGJSSA-N 465.443 5.308 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409358050 JWMDXUIKTQZWBZ-QFEZKATASA-N 497.532 5.517 5 40 JKBB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2621313 SXSKLUQFHGPQPD-AWEZNQCLSA-N 483.937 5.267 5 40 JKBB Cc1c(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 3289668 YHFDGYFBHJVLAW-UHFFFAOYSA-N 456.907 5.503 5 40 JKBB COc1ccc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1[N+](=O)[O-] 3290481 BUOCJSCXAQLNEI-HXUWFJFHSA-N 475.284 5.447 5 40 JKBB O=c1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c2c(ccc3ccccc32)o1 3320661 KBUFSKLKICMUHB-UHFFFAOYSA-N 496.975 6.591 5 40 JKBB O=C(c1ccc2ccccc2c1)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 3848872 TVKHVLLWDGGYLH-UHFFFAOYSA-N 484.489 5.467 5 40 JKBB biogenic Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Sc2ccccc2C(=O)O)c([N+](=O)[O-])c1 16045107 ZLFSXEFZADJQER-UHFFFAOYSA-N 483.571 5.430 5 40 JKBB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 21005755 UFEKCUKWBFCRKQ-QHCPKHFHSA-N 458.449 5.073 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] 21123901 MRQFLONFMXHCSG-UHFFFAOYSA-N 452.206 5.331 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1 408569563 JNVPXKFDLBSOPO-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB O=C(Nc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 408672677 OOZUNJFKYLWVES-UHFFFAOYSA-N 453.454 5.892 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 408725929 JJJXEKZISLEFJZ-BKUYFWCQSA-N 466.902 6.068 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409144750 OWTYNIQFLHLZMA-OEAKJJBVSA-N 482.558 5.799 5 40 JKBB O=[N+]([O-])c1cccc(N[C@@H](c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 1779663 AFCHCWAJMHQHSU-RUZDIDTESA-N 460.426 7.057 5 40 JKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 2075719 NLUHDERTSYMZMF-UHFFFAOYSA-N 470.337 6.944 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2Cl)cc1 2253618 UXTLPIGEAFTGBV-UHFFFAOYSA-N 465.944 5.353 5 40 JKBB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2270634 UYFGFBUCTOTFSW-UHFFFAOYSA-N 494.641 5.957 5 40 JKBB O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(Oc2ccccc2)cc1 3451264 PFBMLDVPYLOQMR-UHFFFAOYSA-N 481.533 6.379 5 40 JKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 4088058 SXTRKOZKDNYCJW-UHFFFAOYSA-N 474.542 5.827 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc(Cl)c(Cl)c2)c2nc(CCC)n3c4ccccc4nc3c12 9124340 XYGKCSYBQPPPJI-UHFFFAOYSA-N 481.383 6.791 5 40 JKBB Cn1c2ccccc2c(=O)c2c1nc(-c1cccc(Br)c1)n1c3ccccc3nc21 9129255 YVSHKMWLIAWCBT-UHFFFAOYSA-N 455.315 5.317 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3cccc(Br)c3)cc(C(F)(F)F)c12 9934571 GWZCYOMTCVCPHB-UHFFFAOYSA-N 477.240 6.085 5 40 JKBB CCCCCCc1cc2c(cc1OCc1cc(OC)c(OC)c(OC)c1)oc(=O)c1ccccc12 11692224 CGAODGOYMJNNIZ-UHFFFAOYSA-N 476.569 6.674 5 40 JKBB COc1ccc2cc(-c3cc(=O)oc4cc(OCc5ccc([N+](=O)[O-])cc5)ccc34)c(=O)oc2c1 11865631 VBIAHJGZEKAZQM-UHFFFAOYSA-N 471.421 5.062 5 40 JKBB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 13116986 FCUDTFSZOAMCDU-FGTMMUONSA-N 465.579 5.113 5 40 JKBB C[C@H]1C/C(=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 15979795 PWHLONUIFSTYPO-HNDQUVLASA-N 487.541 5.244 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1Br 16491977 TWPJBKUWMWRAGY-UHFFFAOYSA-N 480.343 6.400 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223997778 DZWXDGJSYPPNNT-DQEYMECFSA-N 499.552 5.385 5 40 JKBB COc1ccc(C[N+]2(C[C@H](O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)CCCCCC2)cc1 226068831 ZOULSBOUBGERJY-MHZLTWQESA-N 482.729 6.740 5 40 JKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cccc(Br)c1 408848990 XPDIRLDCZXWWNG-NTUHNPAUSA-N 463.696 5.570 5 40 JKBB COc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409135898 SVXBEBRIGGOGHE-UHFFFAOYSA-N 491.769 6.519 5 40 JKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 409155347 IKOPLXNWNJCDBK-UDWIEESQSA-N 495.538 5.252 5 40 JKBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@@H](C)CC)cc1 2421194 MSADJUNLPIKAOP-SFHVURJKSA-N 455.562 5.224 5 40 JKBB O=[N+]([O-])c1ccc(-c2csc(NP3(=O)C=C(c4ccccc4)OC(c4ccccc4)=C3)n2)cc1 3173789 FGAXPFLNMYYJFY-UHFFFAOYSA-N 487.477 7.436 5 40 JKBB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3323154 DYJHRUGJYKKGFR-UHFFFAOYSA-N 494.931 5.400 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 3669543 WDRFAKFMSCNBLB-UHFFFAOYSA-N 485.974 6.411 5 40 JKBB O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8742431 HMVUPIYSDSFNCL-UHFFFAOYSA-N 453.414 5.223 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 13110266 MRGWCFMAVLEYSS-UHFFFAOYSA-N 485.447 5.598 5 40 JKBB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 33743293 APSFWTGEBCZPMF-UHFFFAOYSA-N 453.458 5.403 5 40 JKBB COc1ccc(CN2Cc3c(c4c5ccccc5[nH]c4c4[nH]c5ccccc5c34)C2=O)cc1OC 38281311 GAODZOYUXIIGHX-UHFFFAOYSA-N 461.521 6.129 5 40 JKBB O=C(NCc1ccc(CN2CCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 44873374 NPTACGGHULBTLH-ZXVVBBHZSA-N 455.558 5.438 5 40 JKBB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223433472 YJDLXXSJXAJMPE-WXVAWEFUSA-N 487.600 5.001 5 40 JKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 408609052 NQTMFGDPZNWRMD-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB O=C(O)c1ccccc1C(=O)Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 408984232 MDZLZHSPWMRAHB-UHFFFAOYSA-N 499.957 6.101 5 40 JKBB O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409079869 BYUABPAZHUQIEQ-UHFFFAOYSA-N 463.468 6.868 5 40 JKBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 409179022 OWDUHPGYPHHGMW-WUXMJOGZSA-N 471.922 5.009 5 40 JKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)sc2c1CCCC2 6089555 PGWRGNMJWPDINY-UHFFFAOYSA-N 471.579 5.345 5 40 JKBB Cc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)CS[C@H]3c2cccc([N+](=O)[O-])c2)cc1 9478888 ZEVZHNFMEIMHGY-DEOSSOPVSA-N 456.527 6.180 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 10035122 TVUFLUFIZIODEM-UHFFFAOYSA-N 475.423 5.271 5 40 JKBB N=C1S/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)C(=O)N1c1nccs1 13017241 ZDWDQLSNCDQUGM-OTHHCBNDSA-N 472.935 5.339 5 40 JKBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1 14274113 KSKPKGSMYJPCRW-UHFFFAOYSA-N 480.527 5.114 5 40 JKBB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)Cn1c2ccccc2c(=O)c2ccccc21 14846630 VAOOIUQXVBDIOV-UHFFFAOYSA-N 457.917 5.046 5 40 JKBB O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1 15998063 TZYVXQRXAFUHSY-UHFFFAOYSA-N 481.814 5.141 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214897162 AWRWTEJAMNNCKH-LPYMAVHISA-N 491.481 5.319 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1 224760313 OGRJKHNOMWPBGY-DHIUTWEWSA-N 474.567 5.911 5 40 JKBB Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 408667544 BKIZUDDPZZHMPF-UHFFFAOYSA-N 467.481 6.200 5 40 JKBB Cc1nc2c(c(=O)n1[C@@H](C)c1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2231958 FGZYYDSHXGIZPZ-KRWDZBQOSA-N 463.516 5.400 5 40 JKBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2293029 AZZIEDHUGRCGSP-UHFFFAOYSA-N 482.371 5.189 5 40 JKBB Cc1cccc(N(C(=O)COc2ccc(Cl)cc2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3333606 PSDPJPRGGLLNEL-UHFFFAOYSA-N 479.945 6.424 5 40 JKBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)CC1 9422155 WQMHXKWSIWOONJ-UHFFFAOYSA-N 493.372 5.037 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 20611204 SKDBUYZYNISVLN-UHFFFAOYSA-N 491.960 6.320 5 40 JKBB CCCN(CCC)C[C@H](O)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccccc12 1568040 ZMRWWRVSRZGMHZ-NRFANRHFSA-N 457.458 7.186 5 40 JKBB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2623325 MMWLSKOZDOMAND-CYBMUJFWSA-N 498.923 5.206 5 40 JKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1 9595616 NZGGNGLNSJVUCF-UHFFFAOYSA-N 489.553 5.796 5 40 JKBB O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)cc1C(F)(F)F 13150207 KGFABOGHHUEDFV-UHFFFAOYSA-N 487.312 7.077 5 40 JKBB Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@H](Sc2ccc([N+](=O)[O-])cc2)CS1 16779180 UOQVQXFGBAILGX-UYAOXDASSA-N 481.624 5.839 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1Cl 22537851 BSNJHVJRRSJFFJ-JXMROGBWSA-N 455.923 5.651 5 40 JKBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 35147434 BXCNNDUMKQHOIO-VWLOTQADSA-N 482.496 5.220 5 40 JKBB Cc1cc(-c2cc(C(=O)N3CCSc4ccc([N+](=O)[O-])cc43)c3cnn(C(C)C)c3n2)c(C)o1 40155112 KXROBDWIYDEDRJ-UHFFFAOYSA-N 477.546 5.550 5 40 JKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)nn(-c2ccccc2)c1O 100870066 MXTQONRDLVZQDS-UHFFFAOYSA-N 481.512 5.174 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728601 NYNXGOCCHBQJPD-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(F)cccc1Cl 215271252 QWJXLZMXCRTDTQ-DJKKODMXSA-N 493.299 6.537 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408566032 DPHHDATXJJDNAI-IBGZPJMESA-N 459.304 6.601 5 40 JKBB C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408999471 CYXMOWBWKHEYQE-PUUVEUEGSA-N 499.611 5.149 5 40 JKBB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 409110079 QXECICALHLHCDB-WQRHYEAKSA-N 451.276 5.429 5 40 JKBB CSc1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409115209 JKRJFNAKAIRVCL-NDEPHWFRSA-N 495.604 6.678 5 40 JKBB COCCCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409244962 LFXTYXJVGXYEPC-HZHRSRAPSA-N 478.526 5.400 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 1858114 OORWHCQKZLQESU-HNNXBMFYSA-N 479.920 6.587 5 40 JKBB Cc1cc2c3c(c1)c(OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c(-c1ccccc1)c(=O)n3CCC2 2561292 JYWGFVOQRLYECQ-UHFFFAOYSA-N 474.900 5.704 5 40 JKBB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)c2ccccc2)c1 3015446 BKFGKLZRXTXECI-UHFFFAOYSA-N 479.492 5.639 5 40 JKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 3339354 AMKMBEKOMXQVHY-UHFFFAOYSA-N 462.502 5.870 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(C)cc4[N+](=O)[O-])o2)N3)C1 8920414 OCDFSYPDVNOFSP-IQMFZBJNSA-N 479.602 7.195 5 40 JKBB COc1ccc(C2=NN(C(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)[C@H](c3ccco3)C2)cc1 9127635 VZAAOVVZAXKYOB-IBGZPJMESA-N 494.554 5.276 5 40 JKBB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)o1 9354477 WZEAJZSZMAXYGL-WIYYLYMNSA-N 454.280 5.501 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc(OC)c1OC 9404644 ZQZCSTCVESRLMW-IBGZPJMESA-N 466.921 5.923 5 40 JKBB Cc1cc(=O)oc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(Cc4ccccc4)CC3)ccc12 12566116 NGSKNZDWQGCSTM-UHFFFAOYSA-N 497.551 5.721 5 40 JKBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C12CC3CC(CC(C3)C1)C2 16043480 UTQXNBDPIDAIPX-AWYKWWOESA-N 494.613 5.624 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)c([N+](=O)[O-])c1 20140695 PUWPYXLHRMDVHF-UHFFFAOYSA-N 468.849 5.521 5 40 JKBB COc1ccccc1Nc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1N[C@H](C)c1ccccc1 27548400 PWJRTLWXORENGF-CQSZACIVSA-N 460.450 5.372 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 35123528 OICFMWBDNMEDPC-RVYFJEIFSA-N 471.944 6.685 5 40 JKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1Cl 106685015 PIJQEWGRJOIBNT-ODLFYWEKSA-N 467.890 5.672 5 40 JKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C 107647655 CKLYRPQFSVGNSO-IBGZPJMESA-N 473.986 5.279 5 40 JKBB COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2342659 WITLXZBADUSDOV-NRFANRHFSA-N 485.477 5.069 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 6906677 ISRMOEJDOLVSIX-UHFFFAOYSA-N 468.296 6.378 5 40 JKBB CCCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 9232814 ADLSJIPACCXIMK-HZHRSRAPSA-N 462.527 6.163 5 40 JKBB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 9244775 GIUNVAILCGQVQW-UHFFFAOYSA-N 462.531 5.364 5 40 JKBB Cc1ccc(-n2c(SCC(=O)c3ccc(C)c([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1C 9671040 NCOCQCNUZBORGN-UHFFFAOYSA-N 459.531 5.138 5 40 JKBB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 12318970 WKFVJEUYHNQGMM-REIDKSKDSA-N 467.518 5.252 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 12376062 FDFXAPVVZKWBLR-LJAQVGFWSA-N 473.532 6.818 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14277510 PHPLAROXMWLJPO-UHFFFAOYSA-N 478.961 6.377 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224254636 XHDPJYUSXLJISX-BJKOFHAPSA-N 456.527 5.735 5 40 JKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 408798441 FFISDDKHGPKURW-UHFFFAOYSA-N 470.914 5.588 5 40 JKBB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409026534 ROKHAKHCOJBVLJ-STBIYBPSSA-N 478.592 7.242 5 40 JKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409237994 KRCYCQSGNISSSD-FYJGNVAPSA-N 493.903 5.323 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2087568 PAKRDVXUAGENCX-UHFFFAOYSA-N 452.297 6.678 5 40 JKBB CCOc1ccc(-c2c3ccccc3c(-c3ccc(OCC)cc3)c3cc(Cl)ccc23)cc1 2556436 RFVZBUUPBPFZMH-UHFFFAOYSA-N 452.981 8.778 5 40 JKBB Cn1c(COC(=O)Nc2ccc([N+](=O)[O-])cc2)cnc1SCc1c(Cl)cccc1Cl 8857012 AAXHSBXXXNDYAE-UHFFFAOYSA-N 467.334 5.676 5 40 JKBB COc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccc([N+](=O)[O-])cc5)N42)c2ccccc2CC3)cc1 8970875 JFDNFXWJCRKMLA-AREMUKBSSA-N 467.550 6.419 5 40 JKBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 12565031 SDKSMVWTHGJCFH-UHFFFAOYSA-N 499.489 6.205 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278245 MPUPSGOLTYFXOI-UHFFFAOYSA-N 494.507 5.645 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 16611077 PXSQVAFRSPWXDN-HNNXBMFYSA-N 488.569 6.352 5 40 JKBB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2s1 59472572 FBVDEZXYDHRUDX-UHFFFAOYSA-N 492.582 5.804 5 40 JKBB c1cc2ccc3ccc(-n4cc[n+](-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccc(c1)c2c34 95101092 VYKZLHYRPYPHHB-UHFFFAOYSA-N 469.567 8.549 5 40 JKBB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 106745693 IRILXSFAURHJIS-ZDLGFXPLSA-N 477.336 5.381 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(Cl)c1 408558514 RPRIQHLGPPLISY-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 409054103 RHARSMBEMATCSF-QRVIBDJDSA-N 494.956 6.372 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409341090 CNPBUTSODZKOAT-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 1866204 LRJRBWUDSKHBKV-CQSZACIVSA-N 463.921 7.131 5 40 JKBB O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] 6446348 VEQWQLAPZPFRGP-UHFFFAOYSA-N 479.949 5.151 5 40 JKBB O=C(CSc1ncc(-c2ccccc2)n1C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 6446854 WJILMMKVZSGLLM-UHFFFAOYSA-N 492.944 5.531 5 40 JKBB CCCCC(=O)Oc1cn(CCCN2CCCC2=O)c2nc(CCCC)n3c4ccccc4nc3c12 9124502 ISRHERUMGDNFKV-UHFFFAOYSA-N 489.620 5.288 5 40 JKBB CCC[C@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N21 15163099 WUKIAZWOZZWQRN-WDYNHAJCSA-N 478.548 6.941 5 40 JKBB C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1c2ccccc2cc2ccccc12 15905905 PHVTZEDFDQMGML-UHFFFAOYSA-N 470.622 8.801 5 40 JKBB O=C(C1CCCCC1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 15905910 QMJKVBHARGQLNF-GZKUTBNNSA-N 488.544 6.206 5 40 JKBB Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 19856771 WUKUHLBSKMHCOH-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 32124706 UMGYJFCVBQZVOF-IUXPMGMMSA-N 485.370 5.223 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927734 IUOUNLSFGGCHFC-OANHQPRKSA-N 466.106 7.293 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F 224908376 OZCLKDRQCOTHOP-BJKOFHAPSA-N 473.533 5.405 5 40 JKBB Cc1ccc(N(C)C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C 409334812 MJHRFKOWXSCDJX-UHFFFAOYSA-N 474.593 6.329 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccc(Cl)cc3)nc2N1 940773 GWUIPYQTRBUOJP-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB CCOc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 2205318 OLCMLVVKVXBCRD-UHFFFAOYSA-N 481.516 5.918 5 40 JKBB CCOC(=O)c1cn(-c2ccc(C3CCCCC3)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O 2275734 IZWIIWTXHZUHNH-UHFFFAOYSA-N 454.910 5.777 5 40 JKBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2300065 CMHRRCARIHLIFJ-UHFFFAOYSA-N 452.345 5.699 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3667428 XHVLKUFOOVDVLP-UHFFFAOYSA-N 470.325 6.677 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C(c2ccccc2)c2ccccc2)o1 9200033 MZJJUWAUCFRNQU-UHFFFAOYSA-N 460.515 5.197 5 40 JKBB O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 9216540 IXAACJQPADAAQK-SFHVURJKSA-N 456.321 5.410 5 40 JKBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224260976 OOFSWQCQPOVUFN-SANMLTNESA-N 487.600 5.001 5 40 JKBB Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] 408702321 BGDZFRAGTLTVLM-DEOSSOPVSA-N 481.961 5.583 5 40 JKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)c1 2251105 IYHJYHSBTLRIDQ-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4113419 XVNLDAHYGUOZCH-WQFQCULDSA-N 450.491 5.013 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])c1 9200079 YYKSOBMAQMCMCG-UHFFFAOYSA-N 460.515 5.197 5 40 JKBB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(C)cc3)nn2[C@H]1c1ccccc1[N+](=O)[O-] 9638076 HOPFMQIXXSCSBB-DEOSSOPVSA-N 496.527 5.098 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3Nc4ccccc4C(c4ccccc4)(c4ccccc4)O3)o2)cc1 12376057 SVURBFDEYDZJMO-GDLZYMKVSA-N 474.516 7.288 5 40 JKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N(c1ccccc1)c1ccc2ccccc2c1 13372488 UIVXUBOHXNEVQE-UHFFFAOYSA-N 482.521 6.255 5 40 JKBB CC(C)(C)c1cc(Oc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cc1 15304605 IPFBMALLLBUWMW-UHFFFAOYSA-N 464.518 7.683 5 40 JKBB CCN(CC)c1ccc2sc3c(C(=O)Nc4ccccc4)c(=O)c4ccccc4c-3nc2c1 16678670 BRNNJFCDBQTSNE-UHFFFAOYSA-N 453.567 6.013 5 40 JKBB CCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c12 20849678 HKNSSRILNSXURP-UHFFFAOYSA-N 459.506 5.129 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 214081781 ICUZCOOEZRRNNS-RGVLZGJSSA-N 470.890 5.753 5 40 JKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223362498 JUEAQDAJIFCDFN-OAQYLSRUSA-N 492.041 5.204 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224620461 JCAIRPQIFBVVFP-ZEQRLZLVSA-N 488.525 5.141 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 247353694 CRYDTGWOULSLPD-ZAUZBPKXSA-N 460.961 7.124 5 40 JKBB O=C1N/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 409193513 FAKYNTRDLLBWHR-XDHOZWIPSA-N 483.402 5.499 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409216718 KOYJFSDARJOWKU-LFVJCYFKSA-N 490.537 5.461 5 40 JKBB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCc1ccc([N+](=O)[O-])cc1 409270333 PJYJKYOTPMXZBU-UHFFFAOYSA-N 463.515 5.439 5 40 JKBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)c(C)c1 409409232 GHXWUVHTPBDZQY-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1 6844231 LWJAINDQTMPPDI-UHFFFAOYSA-N 496.951 6.291 5 40 JKBB O=[N+]([O-])c1ccc([C@@H](Nc2nncs2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 8453402 SDMQERFJFAKIFP-FQEVSTJZSA-N 468.431 5.908 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 13302042 NGMIYTJIITYBNT-NRFANRHFSA-N 484.737 6.002 5 40 JKBB COc1cc(C(=O)Nc2ccccc2NC(=O)NC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 69628588 LXYZMUMWNWBBEI-UHFFFAOYSA-N 498.923 5.831 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Br)cc1 408561187 HAIVSCFCYYOGGN-ATJXCDBQSA-N 494.798 5.864 5 40 JKBB CCOc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408814435 RJIVZZRKHCYSAW-UHFFFAOYSA-N 494.524 5.475 5 40 JKBB CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409020335 OBQWGIDZSOCEFJ-YQCVNYCESA-N 462.527 6.162 5 40 JKBB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409118577 OILFBMCCGCOEAC-UUYOSTAYSA-N 492.959 6.379 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 409177614 COIORBURDRMQNA-JWQCQUIFSA-N 498.491 5.200 5 40 JKBB COc1c2c(cc3c1[C@@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 2121371 DOTASAVNOLKOGW-WVQWTBLQSA-N 494.696 6.125 5 40 JKBB COc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3sc4ccccc4c(=O)c3c2=O)cc1 2241874 COOXJOQSKVVQAD-UHFFFAOYSA-N 460.942 5.349 5 40 JKBB Cc1ccc(Nc2nc(Nc3cccc([N+](=O)[O-])c3)nc(SC(=S)N3CCCCC3)n2)cc1 2282725 ZKNJZICFHJUUAE-UHFFFAOYSA-N 481.607 5.438 5 40 JKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 8898881 ZGKNNLIPNSBIPO-UHFFFAOYSA-N 478.744 7.084 5 40 JKBB CCCCOc1ccc(/C=C/C(=O)Oc2ccc(OCCCC)c([N+](=O)[O-])c2[N+](=O)[O-])cc1 9425601 BYOBVLZDCJVLCI-NTEUORMPSA-N 458.467 5.480 5 40 JKBB Cc1cccc(N2CCN([C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)CC2)c1C 12546846 KBVCSZKEQVIHIB-RUZDIDTESA-N 478.980 5.367 5 40 JKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(I)ccc1Cl 14278164 ZYGSPGZKNPNTEH-UHFFFAOYSA-N 485.690 5.229 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107904307 KWKFPWWVVMOASR-UHFFFAOYSA-N 469.828 5.654 5 40 JKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409013456 NJWHNSGPDUSKPN-MDBUFAAASA-N 491.363 5.771 5 40 JKBB Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409115714 JSUJNHPTTYAKTH-UHFFFAOYSA-N 451.737 7.055 5 40 JKBB Cc1ccc(C)c(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409178980 LVXUDMHICVEXBT-SANMLTNESA-N 460.486 5.098 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409183826 VIJWLQBCZAAOBN-UHFFFAOYSA-N 459.885 6.987 5 40 JKBB COc1cc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc([N+](=O)[O-])c1 865648 OMVSFQSHWFIUJW-JKSUJKDBSA-N 495.845 5.366 5 40 JKBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1)C(c1ccccc1)c1ccccc1 8424974 UYBVHEQAMLWXRO-HHHXNRCGSA-N 499.611 5.293 5 40 JKBB CC(C)COc1ccc(CNc2ncnc(NCc3ccc(OCC(C)C)cc3)c2[N+](=O)[O-])cc1 8767742 WYNOVVSCBWUZFK-UHFFFAOYSA-N 479.581 5.679 5 40 JKBB Cn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2scc(-c3ccc(F)cc3)c2c1=O 9507660 DPEMNSBUNOEYCO-UHFFFAOYSA-N 495.517 5.052 5 40 JKBB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 10077734 BVKPEFSKNDHAQL-UHFFFAOYSA-N 482.846 5.083 5 40 JKBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)cc2[N+](=O)[O-])C1 12532595 DKZBKUMOUBVFED-QGZVFWFLSA-N 472.570 6.360 5 40 JKBB COc1ccccc1-n1c(SCc2cc(=O)oc3cc(O)ccc23)nc2cc([N+](=O)[O-])ccc21 12540966 DEVLQOOENHICAO-UHFFFAOYSA-N 475.482 5.047 5 40 JKBB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc12 14270823 LIQKGBMJXKFYFB-UHFFFAOYSA-N 452.517 5.208 5 40 JKBB CC1CC[N+](Cc2ccc([N+](=O)[O-])cc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 226072326 HVUAMWJYFYBZIY-AUSLDBMVSA-N 461.582 5.448 5 40 JKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1C 409198964 GKKLQMKAAKZCMU-RFBIWTDZSA-N 477.973 6.340 5 40 JKBB O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 409230957 HGIXIDALELDJJN-ZVHZXABRSA-N 487.512 5.973 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C 1814474 ITYFKNBHCLDCTL-JIPXPUAJSA-N 485.584 6.688 5 40 JKBB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2150268 YKEACJVCCRFVDU-XMMPIXPASA-N 489.524 5.345 5 40 JKBB biogenic Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2CCC1=CCCCC1 2257765 RFMPIPDTQHNWND-UHFFFAOYSA-N 484.003 6.195 5 40 JKBB Cc1nn(C(C)(C)C)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1Sc1ccccc1[N+](=O)[O-] 2718611 CJFIXNJAOPRTQN-UHFFFAOYSA-N 456.480 5.133 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 9226423 LOLNBSYDSIOBRF-ACCUITESSA-N 485.887 5.894 5 40 JKBB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 10060382 RKYVVSWTFBZVLV-PKTZIBPZSA-N 489.919 5.230 5 40 JKBB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C 11614260 LSGILRDBRWHJHI-GOSISDBHSA-N 467.890 5.178 5 40 JKBB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 13058624 AZFPGVXTWWRGIA-PMACEKPBSA-N 499.563 5.472 5 40 JKBB O=c1cc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)c2c(ccc3ccccc32)o1 13062495 ZXSFPHLQVQZKAX-UHFFFAOYSA-N 476.966 7.157 5 40 JKBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 16682604 XGWLITKRTBMLBC-JOCHJYFZSA-N 485.327 5.804 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3cccc(OC)c3)C(=O)N=C2O)[C@H]1CCC 17015741 APQABWGNSBLSMG-GJZUVCINSA-N 494.548 5.044 5 40 JKBB O=c1[nH]c2ccccc2n1C1CC[N+]([O-])(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 77312480 SAVNBLOUWOJISO-UHFFFAOYSA-N 477.555 5.870 5 40 JKBB in-vitro CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215028399 LGBWZDDRRFLTSA-WOJGMQOQSA-N 477.336 5.383 5 40 JKBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223437409 DXFCVCLAKMRJCX-LOSJGSFVSA-N 486.553 5.431 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408631702 AQHARRDVDHHOKA-WQRHYEAKSA-N 468.878 5.511 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2-c2ccc([N+](=O)[O-])cc2)cc1 408822259 AUPGXQPVGIFZGA-UHFFFAOYSA-N 460.471 5.854 5 40 JKBB O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 3109173 UDXHLJILODRMAM-UHFFFAOYSA-N 495.922 7.508 5 40 JKBB Cc1cccc(N(C(=O)COc2ccccc2C(C)C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3336736 SXPYMHKFZMHNJY-UHFFFAOYSA-N 487.581 6.894 5 40 JKBB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 9027392 OCRXTDLZHGKNDO-UHFFFAOYSA-N 487.585 5.871 5 40 JKBB CCCOc1ccc(OCCSc2nc(-c3cccc([N+](=O)[O-])c3)cn2-c2ccccc2)cc1 12546484 QQAJRNFEMPQMMU-UHFFFAOYSA-N 475.570 6.407 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(C)C)nc2cc([N+](=O)[O-])ccc21 15982282 QSWYWBLNTRWMGP-UHFFFAOYSA-N 476.558 5.797 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)[C@H]1CCC 17027557 RXGPWAZNXKNXFK-BWKNWUBXSA-N 498.967 5.689 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5cc(-c6ccc(Cl)cc6)[nH]n5)nc34)c12 22579697 HSXMWHMLFBYFPZ-UHFFFAOYSA-N 467.892 5.844 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 22718362 VOUMWWWBTIGBRH-QGZVFWFLSA-N 481.508 7.429 5 40 JKBB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 224791023 KQLXEOUBZBHWKL-RPWUZVMVSA-N 487.610 5.955 5 40 JKBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225614784 JEAMLFBYRAENCM-HNNXBMFYSA-N 498.432 5.077 5 40 JKBB CC(C)Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 409096805 FBQPRPJNEQKBDJ-UHFFFAOYSA-N 456.877 6.333 5 40 JKBB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)C1 409334793 IUFKZPUXPOQNER-INIZCTEOSA-N 461.591 5.110 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc(Cl)cc3)c2ncn1Cc1ccccc1Cl 2249094 DZEZQYBZSQLLMO-UHFFFAOYSA-N 486.362 5.698 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 2762307 VFDJIBXYFKUPDL-UHFFFAOYSA-N 494.931 5.838 5 40 JKBB O=C1c2ccccc2C(=O)N1c1ccc(Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)cc1 3146077 VKNPJDSTRRMXDS-UHFFFAOYSA-N 452.422 5.980 5 40 JKBB Cc1cc(-c2ccccc2)nc(SCC(=O)N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 3265924 PIAAOAVOBPDLRP-UHFFFAOYSA-N 474.542 5.371 5 40 JKBB COc1ccccc1N(C(=O)c1[nH]c(C)c(C(C)=O)c1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3345918 GCRZHGJWZNJOMT-UHFFFAOYSA-N 490.541 5.853 5 40 JKBB CCCCCN(CCCCC)C[C@@H](O)c1cccc2c1cc(Br)c1ccccc12 8655884 CDIKRMYOLOQRCQ-AREMUKBSSA-N 456.468 7.471 5 40 JKBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2[N+](=O)[O-])C1 13112668 ODURNVAPHCSKRP-SFHVURJKSA-N 474.565 5.068 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 13805038 DBBQJJJRVZFRHU-UBFVSLLYSA-N 499.910 5.453 5 40 JKBB CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)Sc2c1nc(C1CCCCC1)n2C(=O)CC 16777992 BYJASIHGJWMXDH-UHFFFAOYSA-N 455.540 5.100 5 40 JKBB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 19929196 RHEJSQOQOWCOAP-UHFFFAOYSA-N 488.740 5.080 5 40 JKBB COc1ccc2cc(-c3c4cnn(C(C)C)c4nc4c3oc3c(C)c(O)ccc34)c(=O)[nH]c2c1 96116416 ZTICFHDQMYDOAL-UHFFFAOYSA-N 454.486 5.443 5 40 JKBB biogenic CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 223320779 QXHJMBPTBVCNBY-AJTFRIOCSA-N 487.600 5.001 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 408559067 UGTCDEGUNKVMJN-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634976 WAOHBUWCKUOUSE-CPNJWEJPSA-N 486.937 5.506 5 40 JKBB CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)cc1 409177491 GAEIEPXRXWFENM-UHFFFAOYSA-N 469.833 5.006 5 40 JKBB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c([N+](=O)[O-])c1 6924656 XTWKBMLWNFGICT-UHFFFAOYSA-N 464.478 5.084 5 40 JKBB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 16478638 OWRJUZYXNNURBD-UHFFFAOYSA-N 458.518 5.019 5 40 JKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223841235 ROGYTNZJJMSZNA-DQEYMECFSA-N 486.553 5.826 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 250982178 OKEUZTATKBVDKH-OOIQZMFUSA-N 494.522 5.774 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(Cl)ccc2C)cc1 409326267 JEKSBIPATCNKEW-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 409328660 ZNUNLZRLHSLEFG-ZDLGFXPLSA-N 459.911 5.047 5 40 JKBB CC1(C)c2ccccc2N(CCOC(=O)c2ccccc2F)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2055041 GWOPHLSZWRCRQD-HHHXNRCGSA-N 474.488 5.491 5 40 JKBB COc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3Cl)s2)cc1 3069796 FOKDCUWIAUNZER-UHFFFAOYSA-N 480.933 6.376 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8900514 KWNUJHFCJOOKJK-UHFFFAOYSA-N 489.491 6.303 5 40 JKBB COC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c3c(sc12)C[C@@H](c1ccccc1)CC3 9013854 ZRMIUJNQZMBLKQ-HNNXBMFYSA-N 480.549 5.410 5 40 JKBB O=C(c1ccccc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1 9030614 JACZVQFQWRCEHM-UHFFFAOYSA-N 476.510 5.256 5 40 JKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2c1 12651188 HOHBAQLLSUBNIQ-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 101342796 AYXOWPVNXOULQV-UHFFFAOYSA-N 455.253 5.927 5 40 JKBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Br 408571163 NYNOALISHWOAML-KRWDZBQOSA-N 483.775 5.110 5 40 JKBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1 408658930 VGNCVYFHMOGWCZ-OXQOHEQNSA-N 492.915 5.083 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 408777794 JDMMDSYVIBPFAZ-LWUPDDLQSA-N 461.543 5.336 5 40 JKBB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 3320639 QSZARKDMHAZXRR-UHFFFAOYSA-N 464.543 5.666 5 40 JKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3O)nc2c1 8835195 MMXFPODCHMNLBM-UHFFFAOYSA-N 476.514 5.161 5 40 JKBB CCCc1ccc(-c2nc(NC(=O)c3cc(OC)c(OCCOC)cc3[N+](=O)[O-])sc2C)cc1 12788583 RPFBWRHYZFHIGV-UHFFFAOYSA-N 485.562 5.265 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C 14269968 NTTUIUOSLLMQCV-UHFFFAOYSA-N 464.330 5.905 5 40 JKBB CC(=O)Nc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 16321171 CPYSMMUXFLBEJH-IKPAITLHSA-N 461.546 7.054 5 40 JKBB CC1(C)N=C(c2ccc(Cl)cc2Cl)C(=S)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 20152347 WAGBANMYDIZZDK-UHFFFAOYSA-N 456.738 5.564 5 40 JKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2C)cc1 44086862 FPFMUTQNNNMLCU-UHFFFAOYSA-N 458.543 5.795 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)oc2c1 57315822 AVWAPHJWWVTTJK-UHFFFAOYSA-N 463.902 6.832 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)ccc1O 79190357 CNRJINSBNNEETR-UHFFFAOYSA-N 473.529 5.996 5 40 JKBB biogenic O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F 106695860 MSWFPNQHUZMEPI-XKZIYDEJSA-N 464.474 5.549 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106696015 JBDZEBKRSMQDHP-NDENLUEZSA-N 481.461 5.166 5 40 JKBB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 205680066 YPLVDVIUFQAGCS-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224476710 ILHNYAWJOONRCL-GOTSBHOMSA-N 476.945 6.080 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408603222 BNRXTFVLCMTNPN-UHFFFAOYSA-N 469.925 5.585 5 40 JKBB Cc1c(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)o2)cccc1[N+](=O)[O-] 408633816 MBWWXKZRADCCCR-ODLFYWEKSA-N 483.889 6.084 5 40 JKBB Cc1cccc(OCc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)c1 409181885 GINLHKNTISOEQD-UHFFFAOYSA-N 469.493 6.632 5 40 JKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1c(Cl)cc(Cl)cc1Cl 863281 XNHHSLRNLRFOMB-UHFFFAOYSA-N 459.698 5.336 5 40 JKBB CCn1c2ccccc2c2cc(N3COc4c(cc5c(oc(=O)c6ccccc65)c4C)C3)ccc21 2117043 KAJFBIFODKOIGC-UHFFFAOYSA-N 460.533 6.739 5 40 JKBB biogenic CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2287909 DFALTBNBGFGDRI-UHFFFAOYSA-N 455.562 5.435 5 40 JKBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)c1cccc(Cl)c1 9062443 KSJMTQZJOMNWRK-UHFFFAOYSA-N 479.905 5.271 5 40 JKBB CCCCCC(=O)Oc1cn(C2CCCCCC2)c2nc(CCCCC)n3c4ccccc4nc3c12 9243386 DEXUVZBDYACJPA-UHFFFAOYSA-N 488.676 7.951 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3C)o2)c([N+](=O)[O-])c1 10035091 OYKLLLYYNIYHFQ-UHFFFAOYSA-N 454.442 5.927 5 40 JKBB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2ccccc2[N+](=O)[O-])cc1 10060371 OOEIMQMERFZRNK-XZOQPEGZSA-N 489.919 5.230 5 40 JKBB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-])CCC3 11866580 HPAVXGBCTHBLDS-UHFFFAOYSA-N 482.508 5.469 5 40 JKBB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12623174 CYDBNNZPEXTGBN-UHFFFAOYSA-N 450.442 5.255 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611833 LCBQMKKBQDJTKW-ZZXKWVIFSA-N 488.327 5.650 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 36408648 HXLDLGPOKADBKW-YYQUZTFQSA-N 466.793 5.890 5 40 JKBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 222986263 QBOHRUKXYBWKIS-YADHBBJMSA-N 452.536 5.031 5 40 JKBB CC1CC[N+](Cc2ccccc2)(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 226070129 UDENERIYCZQOBQ-AQELMELHSA-N 496.756 6.485 5 40 JKBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1cccc(Cl)c1 408558308 QIUVTPJBUPMJOI-UHFFFAOYSA-N 489.937 5.008 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408613117 XMKUYJMTNRLDPC-UHFFFAOYSA-N 454.395 5.214 5 40 JKBB Cc1cccc2c1ccc1c3occ(C)c3c3nc(-c4cc5cccc6c5n(c4=O)CC6)[nH]c3c21 1547208907 FINFGRHDHDHDPZ-UHFFFAOYSA-N 455.517 6.770 5 40 JKBB biogenic COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 2251883 ZDSQEEPLMHVACI-UHFFFAOYSA-N 481.943 5.053 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)cc1 2253250 CBTFBJOQKLFOJE-UHFFFAOYSA-N 487.607 6.291 5 40 JKBB Cc1cc(I)ccc1Nc1nc(C)c([N+](=O)[O-])c(N(C)c2ccccc2)n1 6194349 RBMXGSMTHRGAAV-UHFFFAOYSA-N 475.290 5.118 5 40 JKBB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 6246609 DTPKWRCAYBLUOC-SFHVURJKSA-N 473.558 5.579 5 40 JKBB COCCn1cc(OC(=O)c2ccc(C)cc2)c2c1nc(-c1ccc(C)cc1)n1c3ccccc3nc21 9308494 IQNFYLSCIJYJBU-UHFFFAOYSA-N 490.563 5.987 5 40 JKBB COc1ccccc1-n1c(SCC(=O)NCCC2=CCCCC2)nc2cc([N+](=O)[O-])ccc21 12688551 QTMGEAVNBCFCIO-UHFFFAOYSA-N 466.563 5.041 5 40 JKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 22714101 YDKNSMYNVXFDQM-WEVVVXLNSA-N 477.904 6.334 5 40 JKBB COP(=Nc1ccc([N+](=O)[O-])cc1)(OC)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CCC1 34782942 AXIKMNGFPJGLPG-XUTLUUPISA-N 483.505 6.362 5 40 JKBB Cc1nc(NC(=O)C[C@@H]2CCCCO2)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 40556490 FBMINWNHVNKLLJ-HNNXBMFYSA-N 459.553 5.125 5 40 JKBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccccc3)cc2N1 72332712 YYYDZZWISNZRCY-RUZDIDTESA-N 485.931 6.039 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224245594 WSKOYAHHEPGMJD-BJKOFHAPSA-N 455.543 5.266 5 40 JKBB Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 408564811 AJYTVVXRXJGSBC-JOCHJYFZSA-N 465.347 6.226 5 40 JKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O)o1 408634268 SXLGQUTVSRHBDC-ODLFYWEKSA-N 499.888 5.785 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc(Cl)c1 409169872 SMGPFTCQVBHKPM-YBFXNURJSA-N 483.889 5.183 5 40 JKBB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2388982 YKIKLEGJQPPKEN-QHCPKHFHSA-N 473.525 5.645 5 40 JKBB Cc1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccc(Br)cc1 2667648 RUEDFOWEOOACNX-UHFFFAOYSA-N 466.287 6.018 5 40 JKBB biogenic COc1ccc(-c2[nH]c(-c3ccc(Br)c([N+](=O)[O-])c3)nc2-c2ccccc2)cc1 6240009 AZLOIIQVWKETRF-UHFFFAOYSA-N 450.292 6.090 5 40 JKBB CC(C)C(=O)Oc1cn(-c2cccc(Br)c2)c2nc(C(C)C)n3c4ccccc4nc3c12 9124441 GHRUMLKSCNAAFP-UHFFFAOYSA-N 491.389 6.274 5 40 JKBB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 9424497 FBCMTZPYRAZIQE-UHFFFAOYSA-N 493.581 5.007 5 40 JKBB CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509731 HGWKNVASZCFCAB-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269570 MPWRURQSIIVDRS-UHFFFAOYSA-N 453.351 5.019 5 40 JKBB C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C 107078264 FCUDTFSZOAMCDU-KURKYZTESA-N 465.579 5.113 5 40 JKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 107652748 NVXKSHNAJMMBEQ-GFCCVEGCSA-N 480.377 5.296 5 40 JKBB Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)cc1Cl 408555670 HCUSMEUJUSKFEH-UHFFFAOYSA-N 460.317 5.840 5 40 JKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 408803592 QVXIXGDBUVZJOF-UHFFFAOYSA-N 454.915 5.888 5 40 JKBB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 409053172 YHYTWXQHJOTROV-UHFFFAOYSA-N 491.544 6.956 5 40 JKBB C1=CC=CC=CC=CC=CCOC=C2C=CC=CN2C=CC2=CC=CC(=CC=CC=CC=CC=C1)O2 1772490892 OCBBOZIIMWJXCO-UHFFFAOYSA-N 473.616 8.117 5 40 JKBB O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])s1 1746112 JSJKYQXXWMOPPM-UHFFFAOYSA-N 468.472 5.284 5 40 JKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)CCCCCNC(=O)OCc3ccccc3)ccc12 9034130 QEGDEXXNEHNBLI-UHFFFAOYSA-N 489.524 5.347 5 40 JKBB biogenic CCCC(=O)Oc1cn(-c2ccc(C(C)C)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9242824 JEKTUQWUINJFJC-UHFFFAOYSA-N 454.574 6.608 5 40 JKBB O=C(Nc1ccccc1C(=O)OCc1cn2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])cc1Cl 9714495 WGQQXQUCLUJJKA-UHFFFAOYSA-N 485.283 5.159 5 40 JKBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 17828945 IDVKQBVDVQJYBZ-UHFFFAOYSA-N 465.922 5.227 5 40 JKBB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 20610300 VBEYQBXUPZNFMB-UHFFFAOYSA-N 499.483 5.248 5 40 JKBB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 23430064 OGFYMLMDCCBKCT-UHFFFAOYSA-N 479.949 5.151 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 35333231 PUQIOMBZMOYLAU-QRVIBDJDSA-N 494.500 5.558 5 40 JKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br 72228860 MELRTADOLGYJDV-UHFFFAOYSA-N 486.160 5.317 5 40 JKBB CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccccc4I)cc3)[C@@H]1C2 95564851 FKUOVGQOKVAIAV-GMAHTHKFSA-N 472.434 6.527 5 40 JKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)Cc2ccc(F)cc2)c(C(C)(C)C)c1 226070401 NHNUGWJDVFCBSD-XMMPIXPASA-N 460.654 5.454 5 40 JKBB COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1-c1ccc(C)cc1 793585 JIEXEAZJLQWPOD-UHFFFAOYSA-N 489.557 5.199 5 40 JKBB Cc1ccc(Cl)cc1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O 1851310 PCLDUQWOVQQJSQ-UHFFFAOYSA-N 453.881 7.219 5 40 JKBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1 2246763 UYUPHIFJHHKKQV-UHFFFAOYSA-N 495.970 5.247 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2Cc1ccccc1 2312976 VHTALRFZLDHUNC-UHFFFAOYSA-N 459.553 5.148 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC[C@H](C(C)(C)C)C3 6142746 OCQHQCBXNJJLBJ-KRWDZBQOSA-N 492.597 6.754 5 40 JKBB Cc1cc([C@H](O)CN(CCCC(C)C)CCCC(C)C)cc2c1ccc1cc(C(C)C)ccc12 8602986 SIBCIFVTCGDLLF-JGCGQSQUSA-N 461.734 8.633 5 40 JKBB Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 12855179 FMHQHPGMMRGQFM-UHFFFAOYSA-N 474.336 5.361 5 40 JKBB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 14269265 LLMRASLMRBMAPP-UHFFFAOYSA-N 473.510 5.112 5 40 JKBB Cc1ccc([P@](=Nc2cc([N+](=O)[O-])ccc2Br)(Oc2ccc(F)cc2)C(C)(C)C)o1 15634660 SEIWCPMOAATVIB-PMERELPUSA-N 495.285 7.349 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 20411286 PCVLAQOQLFUIGT-UHFFFAOYSA-N 497.507 7.047 5 40 JKBB COc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 57314185 OTILYKALAYPHAI-NTCAYCPXSA-N 481.464 6.324 5 40 JKBB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409022901 HTVSECBNUJHRIR-VCHYOVAHSA-N 477.336 5.381 5 40 JKBB Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4cnc5ccccc5n4)cc3)c([N+](=O)[O-])c2)cc1 1740761 KDGVMEDUDUYFSW-UHFFFAOYSA-N 461.477 6.537 5 40 JKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8900342 UGYCGJYGKRPAJV-UHFFFAOYSA-N 484.560 5.613 5 40 JKBB CC[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc([N+](=O)[O-])cc1)c1ccccc1 11726264 FGZCBBLIVQSFTQ-UKILVPOCSA-N 490.556 5.311 5 40 JKBB Cc1cc(C)c2cc3c(nc2c1)sc1c(SCC(=O)Nc2nc4c(s2)CCCC4)ncnc13 13086148 LMAVMYJIMICQND-UHFFFAOYSA-N 491.667 6.076 5 40 JKBB CC[C@@H](NS(=O)(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1)c1cc(Cl)ccc1Cl 15083439 YJUVBDDCIAUMGR-LJQANCHMSA-N 479.341 6.231 5 40 JKBB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1[N+](=O)[O-] 22746394 ZWHOGZJZGCUFQZ-UHFFFAOYSA-N 488.548 5.134 5 40 JKBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1oc2ccc(F)cc2c1-c1cnn(-c2ccccc2)c1 32934968 ZHJXDHOEUMJGNA-UHFFFAOYSA-N 460.396 5.724 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccccc1 408564793 AHAKCGYPYHWNKG-QHCPKHFHSA-N 480.977 5.918 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1c[nH]c2ccccc12 408564810 AJUUTNLPAZGWGF-OAQYLSRUSA-N 485.765 6.571 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408735330 NDPHQCNZSNSEBG-UHFFFAOYSA-N 461.481 6.516 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc3ccccc23)N1Cc1ccccc1 409123354 FUTORICUHDBMKJ-HKBQPEDESA-N 499.570 7.109 5 40 JKBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)cc1 2247985 NEALWVOTGAYZJN-UHFFFAOYSA-N 489.579 5.211 5 40 JKBB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2271764 IQVNPQRYBGPJCT-UHFFFAOYSA-N 480.614 5.567 5 40 JKBB O=C(c1ccccc1)c1ccc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])cc1 2323993 OQMLGCMOIYDDDV-UHFFFAOYSA-N 463.449 6.335 5 40 JKBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2424780 IPLIACRCBIENKF-UHFFFAOYSA-N 482.371 5.325 5 40 JKBB Cc1nc2c(ccc3nc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)sc32)s1 9404939 ILZLLQMORAVCSP-UHFFFAOYSA-N 453.549 5.365 5 40 JKBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)N1c2ccccc2OC[C@H]1c1ccccc1 12522153 JRXHZNSAGUYISA-SANMLTNESA-N 462.505 5.227 5 40 JKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])C1 12602735 OTKCOWCTUUTXNF-ZNMIVQPWSA-N 494.375 5.568 5 40 JKBB Cc1cc(C)c2nc3sc4c(SCC(=O)Nc5nc6ccccc6s5)ncnc4c3cc2c1 13086156 DFFNWRHSZKIZHR-UHFFFAOYSA-N 487.635 6.350 5 40 JKBB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13095485 JNEYSOKYLQEGEO-KRWDZBQOSA-N 490.528 6.732 5 40 JKBB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 13141223 CXHGXVDTJGXPFF-HNNXBMFYSA-N 469.542 5.617 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 102773756 DCAZCKMMEAPQGQ-YKKMPQLRSA-N 499.592 5.030 5 40 JKBB O=C(Nc1ccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 139074313 YPDYVWCGSRFDAD-VGNMNXCYSA-N 491.503 5.296 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1 224251536 KUFDBGXVEATMFB-LOSJGSFVSA-N 486.553 5.744 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 409171584 AGTAXOZZFSEWGP-RUZDIDTESA-N 480.904 5.443 5 40 JKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 409336116 MFAZHFCSHOHLOM-HKKFXGGESA-N 497.985 5.462 5 40 JKBB O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc([N+](=O)[O-])c(Br)c1 850664 JNNYUFSORHMIAB-UHFFFAOYSA-N 450.248 5.187 5 40 JKBB CC1(C)c2ccccc2N(c2ccccc2)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 2271880 IBZJSOJONVOAHW-XMMPIXPASA-N 463.331 6.589 5 40 JKBB COc1ccc(CSc2nnc3n4nc(C)nc4c4c5c(sc4n23)CCC[C@H]5C)cc1 2442142 SMDKYCDTBLANBE-GFCCVEGCSA-N 450.593 5.036 5 40 JKBB O=C(Nc1ccccc1-c1ccccc1)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 2653107 GQIYOMIFEDFCNI-UHFFFAOYSA-N 460.942 7.319 5 40 JKBB CCOC(=O)Cn1c(=O)c(-c2ccccc2NCc2ccccc2)nc2cc3ccccc3cc21 3066048 MPSPGMJSHBOTAQ-UHFFFAOYSA-N 463.537 5.392 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)cc1 3274197 WPGBPQHCPNZOBS-UHFFFAOYSA-N 473.396 6.413 5 40 JKBB CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1[N+](=O)[O-] 3422133 FGKMGHOJHWPQOV-WZSOFCAESA-N 452.576 5.492 5 40 JKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 6150809 HUZGUVKHHRQJHA-UHFFFAOYSA-N 490.405 5.655 5 40 JKBB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)Nc1ccc([N+](=O)[O-])cc1Br 8941631 ZKSIEMXZNUQIPL-UHFFFAOYSA-N 495.358 5.698 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9233105 UIJBJDPYSSDRMK-VXLYETTFSA-N 475.309 6.398 5 40 JKBB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 9659447 WUABSVYRVBGQJK-UHFFFAOYSA-N 477.545 7.305 5 40 JKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 13129559 NDQUMBDKEWLPHN-IRXDYDNUSA-N 475.545 5.478 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 13424269 LTQADDDDIUPRPK-UHFFFAOYSA-N 481.530 5.181 5 40 JKBB COc1cc(NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)c(C)cc1[N+](=O)[O-] 14361543 OSRDZTIGLLGCCG-UHFFFAOYSA-N 493.541 5.087 5 40 JKBB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19928193 TYHUGHKHZOFQJK-UHFFFAOYSA-N 458.714 5.071 5 40 JKBB C[C@H]1CCC[C@H](n2c(=O)c3ccc4c(=O)n([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c5ccc(c2=O)c3c45)[C@@H]1C 20569792 AASLOMJBKLCZLF-BIJSUVFWSA-N 486.612 5.060 5 40 JKBB CC1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1 21596011 BOEHPDDMJLNYRT-UHFFFAOYSA-N 471.001 5.973 5 40 JKBB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313058 ZEZAQBOWJHQUMG-UHFFFAOYSA-N 484.320 7.177 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224409634 FIGJZTWEVLKYGI-GOTSBHOMSA-N 459.506 5.097 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408565901 DDYFUHCXPPKPIM-HXUWFJFHSA-N 485.765 6.571 5 40 JKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O)o2)c1 408631611 FZVKYZVXEQUCAJ-NDENLUEZSA-N 495.469 5.140 5 40 JKBB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409236709 GQSAWGZVYASKCJ-WOJGMQOQSA-N 462.911 5.282 5 40 JKBB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3012181 AAUKWQJZSQWLQS-UHFFFAOYSA-N 458.224 5.310 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)cc([N+](=O)[O-])c1 6143804 PKNFWODRHBZJRF-UHFFFAOYSA-N 491.261 5.215 5 40 JKBB Cc1ccc(C)c(SCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)c1 9462754 NWYKLCMKKWDMEE-UHFFFAOYSA-N 474.174 5.467 5 40 JKBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 9600071 PBCWZBQRTQYTRQ-UHFFFAOYSA-N 487.950 5.608 5 40 JKBB CC[C@@H](C)c1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 12312026 ICIFRPJMLHQJTM-QGZVFWFLSA-N 490.585 6.187 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(I)c1 16399221 VORUTSGDYNSKNT-UHFFFAOYSA-N 475.238 5.349 5 40 JKBB c1ccc2c(c1)nc1cc(NC3CCCCC3)/c(=N/C3CCCCC3)cc-1n2C1CCCCC1 18088003 IZLNCLWMFBBEFY-QVAGMWBUSA-N 456.678 7.624 5 40 JKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cc(C(F)(F)F)ccc1Cl 32699054 XETCNYWEDMQXPC-UHFFFAOYSA-N 458.805 5.048 5 40 JKBB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2C)cc1 139123103 QWGIXERHUUOMPT-UHFFFAOYSA-N 455.470 5.222 5 40 JKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O)o1 408634531 VWKYLODKRAOGRL-ODLFYWEKSA-N 499.888 5.785 5 40 JKBB CCc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1 409118122 OXMJHAREYZBWQU-UHFFFAOYSA-N 450.951 6.351 5 40 JKBB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1[N+](=O)[O-] 409177379 GBPHKKMIKFMCSZ-WJQBNGMASA-N 466.468 5.157 5 40 JKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)N2CCCc4ccccc42)ncnc13 1327829 KPEBKWUVFOTVTH-UHFFFAOYSA-N 456.596 5.773 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2298310 BSWJRNAQIBZVFS-UHFFFAOYSA-N 465.944 5.353 5 40 JKBB O=C(c1ccc(Br)cc1)[C@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 12062439 NVSRYIFVBUTHEE-NEWJYFPISA-N 475.342 5.345 5 40 JKBB COc1ccccc1-n1c(SCC(=O)c2ccc(Br)cc2)nc2cc([N+](=O)[O-])ccc21 12560871 ALYHJASJJXCOGW-UHFFFAOYSA-N 498.358 5.680 5 40 JKBB O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 13149425 ZSGKKUBCHICSPO-UHFFFAOYSA-N 475.917 6.022 5 40 JKBB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c2)N3)C1 15947493 QYFSIEUQTKLWDM-ASSNKEHSSA-N 463.515 5.429 5 40 JKBB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18037554 TZGJHJKWADXIOC-ZNZIZOMTSA-N 479.492 5.108 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 19856410 PEWNMQFQIVTPCO-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB CC(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 20550256 PCXHILDFDRITMU-DEOSSOPVSA-N 464.363 6.836 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106697162 VFRNCGKQUIMHGS-MTJSOVHGSA-N 495.488 5.556 5 40 JKBB O=Cc1ccc(Sc2nnc(-c3cc(Br)ccc3O)n2-c2ccccc2)c([N+](=O)[O-])c1 408603942 HTLBUEJCSXMWSC-UHFFFAOYSA-N 497.330 5.274 5 40 JKBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408752775 GTSFDIVUDZWNDA-IXWSDTCWSA-N 486.527 5.833 5 40 JKBB O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1 8995791 RHCLGVWKCDFULW-UHFFFAOYSA-N 463.468 6.689 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 8997294 MEILRLZNRGDGAO-IBGZPJMESA-N 481.596 5.783 5 40 JKBB O=C1N[C@H](c2c3ccccc3cc3ccccc23)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 13306923 CYSSUWZIINLFDK-TXTKFYIRSA-N 470.472 5.158 5 40 JKBB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 14291164 CNVLHWNKSMSPBV-UHFFFAOYSA-N 496.951 5.065 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3C)nc2c1 16268814 SMHDRIFWKDRRKT-UHFFFAOYSA-N 486.528 5.417 5 40 JKBB COC(=O)CN1[C@@H](c2cccc([N+](=O)[O-])c2)Nc2ccc(Br)cc2[C@H]1c1ccccc1 49593411 DMMHNRQEFOHLAQ-PKTZIBPZSA-N 482.334 5.046 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 106708075 SGYVRVMUVUAQND-UCQKPKSFSA-N 460.511 5.719 5 40 JKBB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)c1 408546772 VNJLRFNJLQMEBZ-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 409053041 JMJNFNOXXJCAFC-UHFFFAOYSA-N 483.908 6.439 5 40 JKBB Cc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccc(C)c(C)c3)s2)c(C)c1 1895118 CQMBQLKMKMDWAH-UHFFFAOYSA-N 472.570 6.948 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccc(Cl)cc2)cc1 2240680 QDGIZVXLHWRPAN-UHFFFAOYSA-N 465.944 5.353 5 40 JKBB O=[N+]([O-])C1=Cc2cc(Br)cc(Br)c2O[C@@H]1c1c(Cl)cccc1Cl 2893000 AXDNXPQTJHAYKD-HNNXBMFYSA-N 479.939 6.270 5 40 JKBB O=C(OCC(F)(F)C(F)F)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 3146085 QFFMRIMSAZICPA-UHFFFAOYSA-N 499.800 6.890 5 40 JKBB CCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])nc(-c3ccc(F)cc3)nc12 6860529 CAWCDLUNIABHER-UHFFFAOYSA-N 492.532 5.646 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1 12549702 QWEMDPHEGOJSJO-HSZRJFAPSA-N 493.361 5.351 5 40 JKBB CCOc1cc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)ccc1OC(C)=O 15305936 OYIHHRYQVVKRSK-UHFFFAOYSA-N 459.501 6.590 5 40 JKBB COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)cc2)cc1 67321646 WGMNVNHAENLSHC-MHKCACEHSA-N 484.556 5.175 5 40 JKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4N(CC[N+](C)(C)C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 103941711 VUNLYSHYFRFNNU-PCGDMHJXSA-N 471.794 7.130 5 40 JKBB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408649049 ZFVDYDSCEXPKBV-HXUWFJFHSA-N 467.481 5.532 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408757871 RAXUAGVDKWYPMO-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB CCOc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409112783 DAMYCEFDSGJRKA-UHFFFAOYSA-N 457.324 5.947 5 40 JKBB COc1ccc(-c2cc(C(=O)Nc3cc(Oc4ccccc4)cc([N+](=O)[O-])c3)c3ccccc3n2)cc1 2070185 OPIRDJYSKSAIOT-UHFFFAOYSA-N 491.503 6.863 5 40 JKBB CCOC(=O)c1cccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)c1 2333517 JMPXWJPIBVDXAK-UHFFFAOYSA-N 484.556 5.688 5 40 JKBB CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C(C)(C)CC)c1 4014689 KJHPHKPXHIRAMM-UHFFFAOYSA-N 456.583 6.473 5 40 JKBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 8836791 PXGQKNMDCGXFQJ-UHFFFAOYSA-N 455.562 5.142 5 40 JKBB CCCCOCCCn1cc(OC(=O)CCC)c2c1nc(CCC)n1c3ccccc3nc21 9233963 NPWYHIWTNMENLD-UHFFFAOYSA-N 450.583 5.702 5 40 JKBB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9403216 AMRCNGPWTSMRCE-CQSZACIVSA-N 483.937 5.267 5 40 JKBB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 13510853 UVEFOPZRKZZFEY-GYCJOSAFSA-N 474.473 5.036 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1ccc(COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 14357024 ONKQXZKVZLVGQX-PHEQNACWSA-N 488.452 5.016 5 40 JKBB COc1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1[N+](=O)[O-] 16227645 YTWYFZDBYWRXDD-WYMLVPIESA-N 484.472 5.959 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139631 KDNDSXPRSUDTBE-UHFFFAOYSA-N 463.298 6.121 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl 408573565 TWSWDHXQJCXKLS-NRFANRHFSA-N 450.922 6.208 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C 1814472 ITYFKNBHCLDCTL-ZBLYBZFDSA-N 485.584 6.688 5 40 JKBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)c1 2223335 CGVLEEXQMGNXBN-UHFFFAOYSA-N 479.971 5.911 5 40 JKBB CCCC(=O)Oc1cn(CCc2ccccc2F)c2nc(CCC)n3c4ccccc4nc3c12 9243434 SSGMNFISZYQVGE-UHFFFAOYSA-N 458.537 5.877 5 40 JKBB O=C(O)c1c(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] 12560332 SLQDOJHPBKTUGO-JYSRXCGNSA-N 481.508 5.730 5 40 JKBB CCc1ccc(C(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 12624706 DJWIXAGWHPKGMR-FYYLOGMGSA-N 471.542 5.058 5 40 JKBB Cc1noc(C[C@@H](CC(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] 19872772 MAKRSIOCKKZJMM-HSZRJFAPSA-N 456.498 6.070 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 21124442 KEKZUJZBMZBWAG-QPJJXVBHSA-N 478.244 5.730 5 40 JKBB Oc1ccc2c(c1)oc1c(C3=Cc4ccccc4OC3)c3c(O)nn(C4CCCCCCC4)c3nc12 79464936 QMFVRKIOALWTJT-UHFFFAOYSA-N 481.552 6.960 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224378224 KSSRULBACFGCLS-CLJLJLNGSA-N 483.597 6.081 5 40 JKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224812439 UHKUZMOXVPOYLS-FQEVSTJZSA-N 480.392 5.024 5 40 JKBB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225537390 QIHWFEPPPNLERX-UHFFFAOYSA-N 453.583 5.546 5 40 JKBB CSc1nc(SCc2ccc([N+](=O)[O-])cc2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 1897791 RABACDHMCWVEKU-UHFFFAOYSA-N 496.683 6.849 5 40 JKBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1[N+](=O)[O-] 2055602 GFRQMDMIDZHXBA-UHFFFAOYSA-N 452.810 5.525 5 40 JKBB O=[N+]([O-])c1ccc(O)c(-c2nc(-c3cccc(Sc4ccccc4)c3)c(-c3ccccc3)[nH]2)c1 6446742 HQMCDKZUYNXSCK-UHFFFAOYSA-N 465.534 7.176 5 40 JKBB COCCCn1cc(OC(=O)c2cccs2)c2c1nc(-c1cccs1)n1c3ccccc3nc21 9015768 WBOFHCWETYSZDQ-UHFFFAOYSA-N 488.594 5.883 5 40 JKBB O=C1S/C(=C\c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 15230048 OFOMMQZRIUDNIO-XKZIYDEJSA-N 464.474 5.549 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Br)c1)O2 16739434 ADXKRRPIUFJAJY-IFMALSPDSA-N 450.292 5.600 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCC(=O)Nc1ccc2c3c(cccc13)CC2 20258788 CPNMTRYJTUVRNW-UHFFFAOYSA-N 497.507 5.125 5 40 JKBB Cc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 32112008 SEQAIGUJZNKTHI-UHFFFAOYSA-N 479.876 5.573 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 33782681 YJKCRIGRCHICGK-XKZIYDEJSA-N 464.474 5.549 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ccc(Cl)cc1 44086073 YAXVMLMAODZNJN-UHFFFAOYSA-N 464.934 5.832 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 408782206 FXBPVHHZFBFWBU-SUAMDDGLSA-N 484.581 5.760 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(Br)cc1 408824132 HCSAWUWTEXQXFZ-UHFFFAOYSA-N 480.343 6.400 5 40 JKBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 409373830 ZIIDVDJLRLIAIK-CAZKKTPXSA-N 498.844 5.144 5 40 JKBB Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)cc2)cc1C 2028535 HUWTXKIUBZWFLS-UHFFFAOYSA-N 480.476 6.597 5 40 JKBB CCC1=NN(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 9013234 FZNTWCIDJRWCSF-RUZDIDTESA-N 487.541 5.079 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc2)c([N+](=O)[O-])c1 12311756 NODJWCWFRCHRSC-XMMPIXPASA-N 476.504 5.777 5 40 JKBB c1ccc(-c2ccc(/N=c3\oc4ccc5ccccc5c4cc3-c3nc4ccccc4[nH]3)cc2)cc1 12491982 CPCSXAKKUPDNRC-KARKAFJISA-N 463.540 8.029 5 40 JKBB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=C(O)C1 102453486 RBVRSMMSNLMQSZ-DEOSSOPVSA-N 463.921 7.380 5 40 JKBB O=C(Nc1cccc(C(=O)N2[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 138524389 HRRDTPYGCKINRA-ACKJMCFBSA-N 491.503 5.296 5 40 JKBB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl 225508550 MQAVNEMIAIRVFT-UHFFFAOYSA-N 460.958 5.893 5 40 JKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1Cl 408695607 ROZVOKVBPMFGBZ-UHFFFAOYSA-N 468.300 5.710 5 40 JKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408816907 MLTOATKYYPQLDR-BKUYFWCQSA-N 496.928 6.077 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2Cl)cc1 409407958 BEJGXJQTJNQETL-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB COc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2ccc(OC)c(Cl)c2)cc1Cl 2084191 QMWAOKZSRYEAPT-UHFFFAOYSA-N 486.315 6.349 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(F)c(Cl)c2)cc1 2251192 OHPFAAOZICDHEA-UHFFFAOYSA-N 469.907 5.433 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)c(CC)nc32)cc1 2315246 GZEDFTAWWFKIQM-LJQANCHMSA-N 489.579 5.854 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 5395374 WUHMCPSLEHYAQN-UHFFFAOYSA-N 476.681 5.417 5 40 JKBB CCOc1ccc(NC(=O)c2c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc3c2CCCC3)cc1 6601206 SANXKCNZGKIYMQ-UHFFFAOYSA-N 499.976 6.092 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 9062449 WJUZHPOVDFQLTM-UHFFFAOYSA-N 485.481 5.364 5 40 JKBB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cc1 14358547 DECDGFMLVQVMBT-UHFFFAOYSA-N 476.605 6.871 5 40 JKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20610988 VUETWENUKQIJNK-UHFFFAOYSA-N 498.351 6.411 5 40 JKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc12 409178575 GWPUSSDFKRXJIK-HHHXNRCGSA-N 483.480 5.029 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccccc1 409223606 HCAQFOMMQVCZQB-OEAKJJBVSA-N 474.494 5.093 5 40 JKBB Brc1c(Br)c2c3ccccc3n3c2c2c1c1ccccc1n2[C@H]1CC[C@H]3O1 675038126 XZMNTCBUPZMAJL-HZPDHXFCSA-N 482.175 7.249 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 6280184 AXWMVAKCIKCZLJ-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8898657 IWTFCLLPVJTBAK-UHFFFAOYSA-N 480.735 5.777 5 40 JKBB C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCc4ccc(Br)cc4)n32)C1 9291796 DCHUVENZSYQQQH-LLVKDONJSA-N 485.436 5.166 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2nc(-c3ccc([N+](=O)[O-])cc3)nc2N1 9637982 OMQLDEJMPGJABJ-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB Cc1ccc(O[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c([N+](=O)[O-])n1 12563229 KUCLHEKJRAKTBB-SFHVURJKSA-N 465.815 5.729 5 40 JKBB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F 12756529 LXPZRZLIKMMUEY-XVJNWHFHSA-N 475.473 5.191 5 40 JKBB CCc1ccc(CN(C)C(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 13095587 SWIHQKDBYKLYLQ-UHFFFAOYSA-N 474.504 6.599 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1F 13546595 DEWFJBPYZMRYSF-QRVIBDJDSA-N 494.500 5.558 5 40 JKBB COc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1-c1ccc(CO)o1 20139634 PXKHVCUAVCVJGM-UHFFFAOYSA-N 458.879 5.476 5 40 JKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1 20151015 QGTQVAGWIJIIPG-KPKJPENVSA-N 474.469 5.576 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1c(-c2ccccc2)nc2sccn12 22136998 WZXSCOVGFCSIMS-UHFFFAOYSA-N 450.523 5.170 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1 214895987 KSYLFTQBIDAAGG-BUVRLJJBSA-N 490.537 5.809 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 223881067 XLPRHRMBLZTBNF-DHIUTWEWSA-N 458.499 5.133 5 40 JKBB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)C1 408974784 DWXWQOUVHQAFKV-INIZCTEOSA-N 477.659 5.275 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl 409052204 GTGOVGNDKQTBGK-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409216987 QJYGKVJBOYHLHV-DEDYPNTBSA-N 463.471 5.422 5 40 JKBB COc1ccc(-c2c(NC(=O)c3ccccc3)oc3cc4ccccc4cc3c2=O)cc1OC 1323506 MXWXLXQDAZOVSG-UHFFFAOYSA-N 451.478 5.883 5 40 JKBB biogenic CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 6844250 IWJRLEJFCKKVSQ-UHFFFAOYSA-N 462.506 5.637 5 40 JKBB Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 12659827 LSXOYBYSXGXGHU-UHFFFAOYSA-N 483.937 5.353 5 40 JKBB CCCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 19075495 XNRAVHVBOLVALA-UHFFFAOYSA-N 493.512 5.836 5 40 JKBB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20412149 YFIPELJDOAPQAQ-UHFFFAOYSA-N 451.523 5.327 5 40 JKBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cccc1[N+](=O)[O-] 21305751 ULEHLPRDUUNWBD-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB CC[C@@H](c1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1)n1cc(Cl)cn1 22532655 BPFKMYMNMIWLNL-JTQLQIEISA-N 451.865 5.064 5 40 JKBB CC1CC[N+](Cc2ccccc2)(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226069247 JSZIWKFUMSQFJS-DQXUUOSFSA-N 496.756 6.604 5 40 JKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)O)o1 408635113 YXAHVEZHQCWABM-UCQKPKSFSA-N 488.952 6.923 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OCc2ccccc2)cc1 409182298 JUCKPNJHPJIDSF-UHFFFAOYSA-N 455.466 6.323 5 40 JKBB O=c1c2ccccc2nc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)n1-c1ccccc1[N+](=O)[O-] 8432325 QIKVVUSTQQWKNJ-VHEBQXMUSA-N 498.542 6.467 5 40 JKBB C[C@@H]1CCCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)C1 9009868 SCASMDVWUWDPBY-GOSISDBHSA-N 467.569 5.475 5 40 JKBB COc1ccc(Br)cc1-c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cs1 9283575 NXIYWIAOLHCILH-UHFFFAOYSA-N 483.727 5.500 5 40 JKBB CN(Cc1ccccc1)C(=O)CSc1nc2ccc(Br)cc2c2nc3ccccc3n12 9473232 XZXMVXFELTTXOQ-UHFFFAOYSA-N 491.414 5.549 5 40 JKBB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9908425 OXJUFIVIZUFVNE-AWEZNQCLSA-N 464.934 5.978 5 40 JKBB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13095835 BTVRYRAFEHTSAF-OAHLLOKOSA-N 490.459 5.335 5 40 JKBB O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 33039518 NUIDPQJHOVLSNK-VCHYOVAHSA-N 472.806 5.995 5 40 JKBB O=C(c1ccccc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 38306099 AHURZYADMOBBMO-GZKUTBNNSA-N 482.496 5.940 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)o1 408632626 FYHPBDPVIVHTJN-ODLFYWEKSA-N 498.904 5.520 5 40 JKBB CCCCCN(CCCCC)[C@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729677 NOUFWEXHTCTUAU-NFQMXDRXSA-N 470.495 7.860 5 40 JKBB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)c(Br)c1 2080723 VUEZVYLZGYJGTL-JAIQZWGSSA-N 499.342 6.162 5 40 JKBB O=[N+]([O-])c1cccc(-c2csc(NP3(=O)C=C(c4ccccc4)OC(c4ccccc4)=C3)n2)c1 3182564 CYZVGWPFSRUUFJ-UHFFFAOYSA-N 487.477 7.436 5 40 JKBB COc1cc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 8717302 JJZAAKMHLHLUBX-PKNBQFBNSA-N 497.345 5.905 5 40 JKBB CCCCCCSc1nc2oc3c(Br)cc(Br)cc3c(=O)c2c(=O)[nH]1 9286929 DPNQBUJIVRJYIA-UHFFFAOYSA-N 488.201 5.227 5 40 JKBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2cc1C 10120415 YYDVNDFDHJTQTE-UHFFFAOYSA-N 467.481 6.210 5 40 JKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 12849504 LQJAANIXPOVHFQ-UHFFFAOYSA-N 461.477 6.855 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc(C)c1 16349324 NOADNUCSMPAFPD-UHFFFAOYSA-N 455.942 5.346 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccs4)C[C@H](C)C[C@H]3[C@@H]2c2cccs2)n1 17143480 ZIIBGJLLXHGQHL-FBPMPNSMSA-N 481.603 5.617 5 40 JKBB Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2C)n1 44086872 XFYRMNZZQDKSKI-UHFFFAOYSA-N 465.560 5.252 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409182603 NAQQDPXSTWQZSL-UHFFFAOYSA-N 482.492 6.305 5 40 JKBB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409246858 FKIWYCCRLKSFSW-LICLKQGHSA-N 467.330 5.927 5 40 JKBB CCN(CC)CCCNc1nn2c(=O)c3c(-c4ccccc4)csc3nc2c2ccccc12 3259459 DVNNHYOBLVCBHQ-UHFFFAOYSA-N 457.603 5.268 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 8836819 PFHBRTCKKSFMRD-UHFFFAOYSA-N 490.405 5.935 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc34)[C@@H]2C(=O)N1Cc1ccccc1 9281858 BRPVDHVWYDPSQO-JBOQNHBVSA-N 484.555 6.040 5 40 JKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1C 14272970 RHASNNKPWUOPPG-VOTSOKGWSA-N 470.117 5.089 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 14275539 PQPHEBALBOKLQP-UHFFFAOYSA-N 490.541 5.662 5 40 JKBB COc1ccc([C@H](CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)N2CCCC2)cc1 16044190 ZGRGQZSLWXVUKZ-DEOSSOPVSA-N 495.963 5.616 5 40 JKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cccc2c1Cl 21595337 NWTTXPKZYBNJSJ-UHFFFAOYSA-N 497.960 6.504 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 36316843 LTUBORRLMJGHQI-YIIHUHPWSA-N 499.592 5.030 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)o2)c([N+](=O)[O-])c1 95116510 YPXBQXQRJXOGGB-UHFFFAOYSA-N 475.423 5.735 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC 205702333 WEZJQICMWVYQLT-WOJGMQOQSA-N 462.911 5.282 5 40 JKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 408563177 UNCAGPXXGQOLPW-GFMRDNFCSA-N 484.792 6.408 5 40 JKBB Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)c(Cl)c2)cc1 408694700 LWCUADMXNCYLEJ-UHFFFAOYSA-N 468.300 5.710 5 40 JKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408920420 HBPGQFOUQCWHMP-ZXVVBBHZSA-N 480.589 7.375 5 40 JKBB N=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc2c(c1)OCO2 408977922 ZLYGIEPFERCIOS-XASQNKGUSA-N 469.862 5.293 5 40 JKBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1c2ccccc2cc2ccccc12)c1ccc2c(c1)OCO2 671507 FBTUROOZKKRBIG-MUUNZHRXSA-N 487.515 5.633 5 40 JKBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 869955 SJPDHRSATYUSMP-UHFFFAOYSA-N 498.446 5.097 5 40 JKBB Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 888301 VFZMJYSQNOPYLR-UHFFFAOYSA-N 460.515 5.157 5 40 JKBB CCOC(=O)c1c(C)[nH]c2c1cc(O)c1c2c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 2287149 KPFDRAGDLADEBE-UHFFFAOYSA-N 456.458 5.273 5 40 JKBB Nc1ccc2c(SCCSc3c4ccccc4nc4cc(N)ccc34)c3ccccc3nc2c1 5615616 MRJHDAKEJAELBN-UHFFFAOYSA-N 478.646 7.138 5 40 JKBB Cc1cccc2oc3cc(NCCN4CCCC[C@@H]4C)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9089884 RYLXLLGKHYTGFN-SFHVURJKSA-N 467.569 5.536 5 40 JKBB COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 9391343 KYRWDKDGRXUHQQ-RUZDIDTESA-N 490.556 5.554 5 40 JKBB CCCCCSc1nnc2c(n1)O[C@H](c1cc(OCC)c(O)c([N+](=O)[O-])c1)Nc1ccccc1-2 19831996 HZOSWSLKGRRSTL-OAQYLSRUSA-N 483.550 5.337 5 40 JKBB O=[N+]([O-])c1ccc(/C=C\c2cccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 68563504 JUZPPVPZHHLCTG-PEPZGXQESA-N 462.374 5.660 5 40 JKBB O=c1[nH]c2cc3c(cc2cc1-c1c2oc4cc(O)ccc4c2nc2c1c(O)nn2C1CCCC1)OCO3 95475858 JXUQVNQITOKLLD-UHFFFAOYSA-N 496.479 5.094 5 40 JKBB O=C(/C=C\C(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] 104356572 PYPRWCNLQXPLSW-UPHRSURJSA-N 496.042 5.184 5 40 JKBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 408574812 DNAWRCXUQAUMGF-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB COc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408611767 RHNFWLFTERBWLJ-UHFFFAOYSA-N 487.306 5.255 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 409007060 NGMCTMDBZWXWGI-LLVKDONJSA-N 483.333 5.464 5 40 JKBB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 409053890 RRYNSMSJSQXLRR-UHFFFAOYSA-N 479.489 5.794 5 40 JKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 8871978 XAQDNMBZTSMEBU-GFCCVEGCSA-N 452.345 5.870 5 40 JKBB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 9316910 GKEPDMQIPOCAAL-UHFFFAOYSA-N 469.284 5.220 5 40 JKBB C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9596458 YSBJJXTYKMELLG-QMMMGPOBSA-N 472.794 6.405 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)sc2c1 12651180 MQILTZOWNMNFIM-UHFFFAOYSA-N 474.542 5.269 5 40 JKBB COc1ccc(-c2cc(C(=O)Nc3cc(Oc4ccc(O)cc4)cc([N+](=O)[O-])c3)on2)cc1OC 12848585 YBNYYSKRGVSVBD-UHFFFAOYSA-N 477.429 5.017 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl 14360615 ZAGLYBAVSSVKRZ-BWSGXRDBSA-N 450.878 5.493 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)o2)c([N+](=O)[O-])c1 20610917 UVIAFILADCZYQA-UHFFFAOYSA-N 489.875 5.503 5 40 JKBB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 25397419 ASNFGNMFXZZCLG-JOCHJYFZSA-N 485.521 5.344 5 40 JKBB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 35201811 AOMKNMPFSWFVCB-UHFFFAOYSA-N 498.524 5.024 5 40 JKBB O=C(Nc1ccc(I)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313794 RAFKFLOOOGAURE-UHFFFAOYSA-N 458.664 5.320 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](C)CC 205702753 JOEWMMBQOMJKFX-NWGMWSOJSA-N 456.520 5.407 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 408572547 JTYDKYDMSRMQQS-ZRDIBKRKSA-N 476.539 5.505 5 40 JKBB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]2C1 408677667 DXWDLROCFFQEKG-JWQCQUIFSA-N 481.508 5.360 5 40 JKBB Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409119999 RWHAIXKZZSFHTH-UHFFFAOYSA-N 451.737 7.055 5 40 JKBB Cn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409365330 ZOIFXAHNPLFSKL-UHFFFAOYSA-N 498.417 5.194 5 40 JKBB O=C(Oc1ccccc1)c1ccccc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1851534 BUDFHQLUGBRNEA-UHFFFAOYSA-N 475.884 6.839 5 40 JKBB COc1ccc([C@@H]2C3=C(N=C4SC=C(c5cccc([N+](=O)[O-])c5)N42)c2ccccc2CC3)cc1 1868316 ALXULZKESLQIBQ-AREMUKBSSA-N 467.550 6.419 5 40 JKBB Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(-c3ccc(C(C)(C)C)cc3)nc21 2442606 BQUWXGLWLPYQFD-UHFFFAOYSA-N 463.581 5.456 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 8443746 VAHQRMJZCSJNIH-UHFFFAOYSA-N 470.576 5.454 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4cccc(F)c4)cc3c3ccnc2c31 8792215 YTBXZKJZDZCIEO-UHFFFAOYSA-N 454.457 5.327 5 40 JKBB biogenic O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 8901507 ZVOKNKFZWOTQOI-UHFFFAOYSA-N 499.354 5.116 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@@H]2C(=O)N1Cc1ccccc1 9281856 BRPVDHVWYDPSQO-DTXPUJKBSA-N 484.555 6.040 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Br)n2-c2ccccc2)cc1 9805605 WAEMENUXMLZPTO-UHFFFAOYSA-N 467.348 5.897 5 40 JKBB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl 14277530 SQHDJGVVOSUDOY-UHFFFAOYSA-N 478.744 7.084 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 408609747 OPAISRYKHRZRJC-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 408995518 JURVSWICRFENIT-PIZZNKLWSA-N 482.967 7.298 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1Cc1ccccc1 409113940 OVVBFVTZJRISLF-NDEPHWFRSA-N 493.519 5.685 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)c4ccccc4)c(C)nc32)cc1C 2211040 HXUKQEUQVNFPDR-LJQANCHMSA-N 459.553 5.818 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)sc2c1 2616432 VDHXNUFLMMAEEL-WUXMJOGZSA-N 473.510 5.375 5 40 JKBB CCCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 2761797 UXQCXFYOTDWDCT-UHFFFAOYSA-N 486.977 6.919 5 40 JKBB O=c1nc(/C(Cl)=C/c2cc([N+](=O)[O-])ccc2Cl)[nH]c2cc(-c3ccc(F)cc3)sc12 12639906 OMASBULQVBATJR-NVNXTCNLSA-N 462.289 6.089 5 40 JKBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 16194594 PRQQRADHFOKQFO-AATRIKPKSA-N 450.303 5.686 5 40 JKBB C/C(=C/C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)C(=O)O 37018943 CULOKHKCEUPFHZ-DHOHLHFPSA-N 491.525 5.036 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 57316099 NYQARHRUWFJZTD-VOMSXAGXSA-N 493.585 5.818 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745845 ZJXPIMQENWUTSI-CFRMEGHHSA-N 487.512 5.973 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F 214351361 JSYIMTVILVCBLD-SRZZPIQSSA-N 495.444 5.671 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224313226 MCBNOXOFFGSRNE-LOSJGSFVSA-N 469.570 5.574 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224474695 LEVQLGXVIFPSAQ-XZOQPEGZSA-N 475.961 5.611 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1 408565344 BTBKPGNGLKYMOG-OAQYLSRUSA-N 485.367 6.861 5 40 JKBB O=C(Oc1ccccc1)C(=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Oc1ccccc1 408718563 ZEPNITXWVJBAAO-UHFFFAOYSA-N 489.867 6.103 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2cccs2)nc2ccccc12 409178562 LHLXHJVPGXQASL-UHFFFAOYSA-N 482.517 7.021 5 40 JKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 2092416 LGMFVLAHOWHQGX-FQEVSTJZSA-N 469.534 5.108 5 40 JKBB biogenic O=C(O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccc([N+](=O)[O-])o1 3303858 MLKCIRSPFTXWHJ-KRWDZBQOSA-N 468.771 5.397 5 40 JKBB Cc1ccc(-c2nn3c4ccc(Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4nc3c3ccccc23)cc1 8817816 KRDIBPJCWYKVRU-UHFFFAOYSA-N 490.479 6.571 5 40 JKBB COc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c(OC)c1OC 9187543 IHFRHVIAQJRZSE-JOCHJYFZSA-N 498.491 5.018 5 40 JKBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Oc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 12551190 CRCRLKIVUOCHMA-UHFFFAOYSA-N 499.592 7.040 5 40 JKBB O=C(C1CCCCC1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 12631406 MZOBLMHJOUWZBD-VDDKRMBASA-N 488.544 6.206 5 40 JKBB COc1ccc(-c2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c(-c3ccccc3)[nH]2)cc1O 13532826 ZBSLBFRESJLBQO-UHFFFAOYSA-N 463.493 6.700 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 16611226 VCENMERFLUTICS-HNNXBMFYSA-N 474.542 6.043 5 40 JKBB O=C(/C=C/c1ccc(Br)c([N+](=O)[O-])c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363631 LLCVULAXXZLHLF-UXBLZVDNSA-N 487.762 6.853 5 40 JKBB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 408801658 WRFQPQSYHMTHNS-NDDKWJIQSA-N 488.589 6.909 5 40 JKBB O=C(Nc1cccc2ccccc12)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408976120 PFHGONNVRVWQCR-UHFFFAOYSA-N 451.489 6.285 5 40 JKBB Cc1ccc(Cl)cc1N1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 409128393 FHLXUIRNGPNJAW-JJIBRWJFSA-N 461.949 5.446 5 40 JKBB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 409177769 GYMBDXTZFFHNOP-UHFFFAOYSA-N 475.284 5.276 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3CCC2=CCCCC2)cc1 2253348 SPEMQXLQSCEHBV-UHFFFAOYSA-N 463.585 5.850 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)c(C)nc32)cc1 2314360 WEKCDCYLYGCPTH-FQEVSTJZSA-N 487.607 6.544 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)cc1 2365574 CZVOFJNTELOBLR-UHFFFAOYSA-N 455.562 5.126 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc3c(c2)OCO3)cc1/C=C\c1ccc2c(c1)OCO2 5080546 NGMRWNUPBHUVGP-IOBHVTPZSA-N 460.398 5.301 5 40 JKBB O=C(Nc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl 9254869 ZALDHBHKLVUROV-UHFFFAOYSA-N 477.826 5.449 5 40 JKBB Cc1ccc(NS(=O)(=O)c2ccc(SC/C=C/c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 13129439 ABTPQOVPOOANKO-RMKNXTFCSA-N 454.573 5.818 5 40 JKBB COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 14278983 HYAFCHFMIZDZDH-UHFFFAOYSA-N 485.496 5.229 5 40 JKBB CC(C)(C)c1ccc(-c2nnc(SC/C=C/c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 16323289 ODWDNQJJBWDNHP-BQYQJAHWSA-N 470.598 6.946 5 40 JKBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 20969966 AGSDRFYPEDUQOA-JOCHJYFZSA-N 477.883 5.665 5 40 JKBB CCc1ccc([C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cccs2)cc1 29429281 PEHGGHGFCAHXMA-HHHXNRCGSA-N 452.579 5.684 5 40 JKBB CC(C)(C)CC(C)(C)N(CSc1ccc([N+](=O)[O-])cc1)CSc1ccc([N+](=O)[O-])cc1 31670211 AMEGWKBKWKKPNQ-UHFFFAOYSA-N 463.625 6.819 5 40 JKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(CCC(c3ccc(C)cc3)=NN2c2ccccc2)S1 59120567 QBQAENDSDALWRX-SANMLTNESA-N 485.569 5.717 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1Cl 214386431 LZKLZAKOIXXTDR-VXLYETTFSA-N 475.309 6.398 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224322159 JLGWIBLGYKILSP-LOSJGSFVSA-N 470.554 6.044 5 40 JKBB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224779955 YDTBNWQNCIHLDZ-DNQXCXABSA-N 487.610 5.657 5 40 JKBB Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)cc1 408673598 UBJILZMNHAZHFF-UHFFFAOYSA-N 467.481 6.200 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)S2)cc1 408778219 RDYLTVCKQJMHSC-MFUBYVTQSA-N 492.513 5.457 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 409002674 WCSYVVFRFVKIJA-UHFFFAOYSA-N 466.449 5.531 5 40 JKBB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2268107 KFBXEYUPJHUQSW-YWZLYKJASA-N 477.973 7.055 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccc(F)cc4)n3-c3ccccc3)c1)OCOC2 2625962 JIVWAIDJBWORMC-UHFFFAOYSA-N 464.478 5.140 5 40 JKBB O=C1N(c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)cc2)[C@@]2(C[N+](=O)[O-])CCCCCN12 3263766 IHPGVNNEYNKDSQ-OAQYLSRUSA-N 463.321 5.409 5 40 JKBB COCCN(C(=O)c1cc(Br)ccc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3449127 KDDLULXZYFWNKG-UHFFFAOYSA-N 496.770 5.427 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1 8746978 KMRCGVDKBPWRBH-FQEVSTJZSA-N 465.922 5.301 5 40 JKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 102750351 CFHCJBNUSCKKNS-CVDCTZTESA-N 484.295 5.873 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223118981 VTVCNVXSPCEKSZ-RPWUZVMVSA-N 478.574 5.564 5 40 JKBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 408552586 KAVATLXAHVKXSU-UHFFFAOYSA-N 471.307 5.506 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 408555519 HCQABUHGZDHCED-UHFFFAOYSA-N 471.351 6.256 5 40 JKBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccc(F)cc3)c(-c3ccc(C(C)(C)C)cc3)nc21 2325236 PLGDXDNHBGIJTR-UHFFFAOYSA-N 453.517 5.341 5 40 JKBB O=[N+]([O-])c1ccc2oc(-c3ccc(Oc4ccc(-c5nc6cc([N+](=O)[O-])ccc6o5)cc4)cc3)nc2c1 2347346 UPNKFEKJGKLRRH-UHFFFAOYSA-N 494.419 6.912 5 40 JKBB COc1cc(/C=C\c2cc(/C=C\c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 5080553 GKVKPJCQVGGHRF-VHOZIDCHSA-N 464.430 5.272 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4ccc(F)cc4)cc3c3ccnc2c31 8792384 YDRPNHNYNYSMRA-UHFFFAOYSA-N 454.457 5.327 5 40 JKBB biogenic O=[N+]([O-])c1ccc(N(C2=CN(Cc3ccccc3)C(c3ccccc3)=NC=N2)c2ccccc2)cc1 9354798 YJQILZXJCNPCKB-UHFFFAOYSA-N 473.536 6.523 5 40 JKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 9972118 ZYMFKKKCSNOVHX-NTCAYCPXSA-N 481.533 7.092 5 40 JKBB CCN(CC)S(=O)(=O)c1ccc(SCCOc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])c1 12482961 SZILFRBJRYHNQK-UHFFFAOYSA-N 466.625 5.228 5 40 JKBB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] 13141222 CXHGXVDTJGXPFF-OAHLLOKOSA-N 469.542 5.617 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14271967 DARUSLJMPKHKLA-UHFFFAOYSA-N 463.881 5.304 5 40 JKBB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 20610291 KNTHODNZTWKNTK-UHFFFAOYSA-N 469.457 5.240 5 40 JKBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 20611129 JFCGTIFHDKNNIF-ACCUITESSA-N 483.459 5.688 5 40 JKBB O=c1[nH]c2ccccc2cc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCCC1 79485306 DYWGTAYXPKVDAW-UHFFFAOYSA-N 494.551 6.124 5 40 JKBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225036763 IMOCXMOAOPGTBM-RUZDIDTESA-N 497.661 5.393 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(F)cc1 408568111 HROIEIHHNYMJFV-QHCPKHFHSA-N 482.512 5.543 5 40 JKBB O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(-c3nc4ccccc4s3)c2-c2ccccc2)cc1 409195529 WEIGFKNFMHLHKS-UHFFFAOYSA-N 473.557 7.996 5 40 JKBB Cc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2088002 PDMGMRWABQHKBG-UHFFFAOYSA-N 475.504 6.642 5 40 JKBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)cnc32)cc1 2423835 VQBKWGBHFRVHMD-QGZVFWFLSA-N 469.545 5.212 5 40 JKBB CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCCCCCC2 2759837 AOVPBHRWEIMTQF-UHFFFAOYSA-N 472.607 6.695 5 40 JKBB Nc1c(C(=O)Nc2ccccc2[N+](=O)[O-])sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 6474390 XGLTXRJRJLSABY-UHFFFAOYSA-N 466.522 6.373 5 40 JKBB C[C@@H](CCc1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 8836070 HKNRWIJKSFKKAB-IBGZPJMESA-N 493.998 6.190 5 40 JKBB Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 9109185 WCIFMQZWWKIGAU-UHFFFAOYSA-N 467.403 5.385 5 40 JKBB Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(c(-c4ccccc4Cl)c12)CCC3 9111398 UTZWERWSBSVGET-UHFFFAOYSA-N 464.934 5.848 5 40 JKBB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 32111841 TXLUODTWKMNMDD-UHFFFAOYSA-N 460.515 5.653 5 40 JKBB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)Cc4cc([N+](=O)[O-])ccc4Cl)c(=O)c23)cc1 32868872 MSXQTHGVXPRPSE-UHFFFAOYSA-N 496.976 5.044 5 40 JKBB Clc1ccc2c(c1)/[N+](=c1/ccc3nc4cc(Cl)ccc4sc-3c1)c1ccccc1S2 104240338 GZGKOQJECZRDTL-NTFVMDSBSA-N 464.422 7.608 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223119045 VTVCNVXSPCEKSZ-BJKOFHAPSA-N 478.574 5.564 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(F)c1 408565283 BNSVQGDNIOCDTG-NRFANRHFSA-N 468.912 6.347 5 40 JKBB O=[N+]([O-])c1cc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)o2)ccc1Cl 408986700 DAQBZQSSEDLRPA-UHFFFAOYSA-N 455.923 6.545 5 40 JKBB CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc21 409118020 MPECXSVUDYAUKP-STZFKDTASA-N 479.330 5.843 5 40 JKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409155471 QATALTAGQFURLH-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc3oc4ccc(Sc5ccc([N+](=O)[O-])cc5)cc4c3c2)cc1 3130086 RNUBXOLQMQAANC-UHFFFAOYSA-N 474.519 7.705 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccccc4o3)cc1)C2=O 3142890 LMSJDHJPJWSMNV-UHFFFAOYSA-N 489.443 5.435 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1 20142658 GWJMOKWMBQGDEA-UHFFFAOYSA-N 469.925 5.489 5 40 JKBB Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 21595593 WADBMAKWULDORA-UHFFFAOYSA-N 472.545 5.644 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(Cn4nc(C)c(Cl)c4C)cc3)nc12 22710023 BXODFASFOUKDSR-UHFFFAOYSA-N 473.993 5.686 5 40 JKBB O=C(CCSc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2cnc3ccccc3n2)c1 24522308 FGZPBZQKRVKYAJ-UHFFFAOYSA-N 464.934 5.979 5 40 JKBB CCCCCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2ccccc21 25422676 VWOVKJCIHHMUFZ-UHFFFAOYSA-N 480.512 6.274 5 40 JKBB O=C(OCc1cccc(Cl)c1)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 33383186 HDRMWTFLHUZMPQ-HKWRFOASSA-N 484.939 7.030 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 224287266 QGKVLXLVJCSINW-JWQCQUIFSA-N 470.554 6.044 5 40 JKBB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224790262 PNZXEEQEETUBCA-BJKOFHAPSA-N 487.610 5.657 5 40 JKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225352708 AQUOMLPFICGHDD-UIOOFZCWSA-N 499.596 5.745 5 40 JKBB Cc1ccc(OC[C@@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCCCCC2)c(C(C)(C)C)c1 226071818 ZGOOKMJGURPENR-DEOSSOPVSA-N 455.619 5.531 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1C 408574045 UMGRSMMMXWRDHM-RUZDIDTESA-N 492.576 6.021 5 40 JKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 408609838 PBDJIVWJTYLPDK-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 409338712 OULGQGHHIXVLNV-LSCVHKIXSA-N 494.356 5.700 5 40 JKBB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 725264 WNHAILDUNVAQMH-CLOONOSVSA-N 457.530 5.908 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Br)cc3)c2ncn1C1CCCCC1 2284645 VBJACXFPKHFOPD-UHFFFAOYSA-N 474.362 5.551 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCCOCC)c(C)nc32)cc1 2437137 SDCSVLGWQRDGDH-UHFFFAOYSA-N 469.589 5.361 5 40 JKBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1cccc(Cl)c1)CC2 3006356 RKBKSNORYBQBTL-QFIPXVFZSA-N 497.935 5.476 5 40 JKBB Cc1ccc(Cn2nc(C)c3cc(C(=O)OCc4cc(=O)oc5ccc6ccccc6c45)sc32)cc1 3433028 YESPWKLCUKLQSY-UHFFFAOYSA-N 494.572 6.380 5 40 JKBB O=C(C[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(C2CCCCC2)cc1 8783320 NZYZIHXOSAEVDR-GDLZYMKVSA-N 484.552 5.650 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(I)cc1 9140121 GSLFJSONRQOBEK-ZRDIBKRKSA-N 460.227 5.111 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232785 FJJFBJANSSBHNQ-LPYMAVHISA-N 480.929 6.064 5 40 JKBB COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)c(C)cc1[N+](=O)[O-] 9544891 IBXSDYQJZRAANO-KXBFYZLASA-N 496.593 5.047 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1SCc1ccc(Br)cc1 12541687 YSPKKOQQHKAWHK-UHFFFAOYSA-N 479.377 5.450 5 40 JKBB COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc32)cc1 12622019 FDMDXQDFVGAPRA-CQSZACIVSA-N 482.949 5.715 5 40 JKBB CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183494 RXXXRVLKEQCPFU-UHFFFAOYSA-N 452.470 5.634 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)sc2c1 107634067 MBCAXHXGQQUKPN-UHFFFAOYSA-N 455.495 6.692 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224415258 JLWJLQNXIDPMMG-ZEQRLZLVSA-N 490.516 5.575 5 40 JKBB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 408561241 HHDUTXHTSPZJAZ-QOCHGBHMSA-N 480.771 5.610 5 40 JKBB O=c1/c(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)sc2nc3ccccc3n12 408903377 SBDMTLPGLWUPKB-MYYYXRDXSA-N 479.517 5.097 5 40 JKBB CC(C)Cc1nc2sc3c(SCC(=O)c4ccc([N+](=O)[O-])cc4)ncnc3c2c2c1CCC2 2209869 VRBYDVREIQHEND-UHFFFAOYSA-N 478.599 5.810 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2228250 GYWDZLQFBSZEQO-UHFFFAOYSA-N 479.971 5.742 5 40 JKBB CC(C)(C)c1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc(C(C)(C)C)c1O 2307037 LZICBTUIKQSTJX-ODLFYWEKSA-N 456.926 5.893 5 40 JKBB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)sc3c2)cc1 3095145 RFXBWVDFLDBNKX-UHFFFAOYSA-N 478.555 5.496 5 40 JKBB O=C(C[C@H](Sc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 8767704 OPUGXGCLCMVBJX-QHCPKHFHSA-N 493.382 7.012 5 40 JKBB Cc1cccc(N2CCN(C(=O)c3cc4c5ccccc5n5c(=O)c6ccccc6c(n3)c45)CC2)c1C 8792183 CCHYMVQTNYJHPB-UHFFFAOYSA-N 486.575 5.171 5 40 JKBB biogenic COc1ccc(CCN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9209787 WDYXFYLMGCZEIW-RUZDIDTESA-N 484.508 5.115 5 40 JKBB Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)nc12 9371730 LOJCCUDROYYLBN-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 9829688 NYVHCNOJHWZTAF-UHFFFAOYSA-N 469.320 5.209 5 40 JKBB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccccc23)c([N+](=O)[O-])c1 12488014 VERMOYFHGNDLHY-UHFFFAOYSA-N 460.515 5.253 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2[N+](=O)[O-])cc1 32124973 JJPXHGWQPMJXFW-XKZIYDEJSA-N 496.997 6.944 5 40 JKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(F)cc2)cc1 44087133 OOVLCRZJRWYYFB-UHFFFAOYSA-N 462.506 5.626 5 40 JKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 210807545 VGDFUAVGFNBWEQ-BUVRLJJBSA-N 452.535 5.976 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223119100 VTVCNVXSPCEKSZ-ZEQRLZLVSA-N 478.574 5.564 5 40 JKBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 239306253 GPVZYVBVGISIJK-CTOUCQIYSA-N 482.492 5.278 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703110 DRCJEMOOQSUFLV-DEOSSOPVSA-N 481.961 5.583 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3ccccc3Cl)nc2N1 940785 BRFVOJWUVASFGX-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1CCc1ccccc1 2252095 NSVXRZJAUZFGRW-UHFFFAOYSA-N 486.362 5.833 5 40 JKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2279117 AASQZWKYUPFDLI-UHFFFAOYSA-N 480.399 6.343 5 40 JKBB CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4c(Cl)cccc4Cl)n32)CO1 2344386 NOSCSCQKRQCAHJ-UHFFFAOYSA-N 491.429 5.437 5 40 JKBB Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 2618343 WKQBYHKFXPHCSW-OAHLLOKOSA-N 494.960 5.375 5 40 JKBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 8900938 YWSZDJGYDGNWJN-UHFFFAOYSA-N 484.512 5.754 5 40 JKBB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)c1 12462744 IRNLFGHDTLAYGN-UHFFFAOYSA-N 478.555 5.496 5 40 JKBB O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1Cc1ccccc1F 40398715 SLQDNOCUOIBSNQ-UHFFFAOYSA-N 466.299 5.195 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 224482703 NCRIPZPOVUDLAS-GOTSBHOMSA-N 476.945 6.080 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1C 408565721 CXELEHBALJNHRE-RUZDIDTESA-N 492.576 6.021 5 40 JKBB CCN1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O 408996146 OHKDBHPNNAYBDD-UHFFFAOYSA-N 468.307 5.487 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409079172 KGORTEMSXLSBLV-CGWFDZAZSA-N 490.559 5.944 5 40 JKBB O=C1N/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1C1CCCCC1 409092868 WKSLSIOVEOHCCV-MOSHPQCFSA-N 455.898 5.053 5 40 JKBB COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 409177676 HUCJNDVHKCSLIW-UHFFFAOYSA-N 498.491 6.005 5 40 JKBB Cn1ncc2c(-c3ccc(OCCc4ccc5c(c4)CCO5)cc3)c3oc4cc(O)cc(O)c4c3nc21 524731330 TUPULNODSAOVPW-UHFFFAOYSA-N 493.519 5.502 5 40 JKBB biogenic Brc1cc(Br)c2nc3[nH]c4ccc(Br)cc4c3nc2c1 1092801 KVLKAAUDJHOMKB-UHFFFAOYSA-N 455.935 5.552 5 40 JKBB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1Cl 1824985 FJLRRZKJYPCOBE-RUZDIDTESA-N 469.368 7.037 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC(F)(F)F)cc1 2407321 FXCRXXIGJPXMDF-UHFFFAOYSA-N 481.478 5.763 5 40 JKBB Cc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6442645 BRXHFTRQFVGZKU-GOSISDBHSA-N 488.573 5.215 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc(-c3[nH]c(-c4cccc([N+](=O)[O-])c4)nc3-c3ccccc3)cc2)cc1 8854742 UYFKFULCISMLQF-UHFFFAOYSA-N 462.465 6.894 5 40 JKBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8900332 JUHSWMIKTHOIDP-UHFFFAOYSA-N 476.924 5.143 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nc2c1 10119764 LSVYOCMICIZRBK-UHFFFAOYSA-N 456.252 5.573 5 40 JKBB CC(C)(C)c1ccc(Oc2ccc(/C=C(\CC(=O)O)c3nc4ccccc4o3)cc2[N+](=O)[O-])cc1 12601187 YIZZTMYFQZHAKB-NBVRZTHBSA-N 472.497 6.841 5 40 JKBB COCc1c(C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)sc2cccc(F)c12 13096605 ZEBDQZGKWIWDIP-UHFFFAOYSA-N 469.541 6.702 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 13115200 KMQNFERMOTWBEE-QGZVFWFLSA-N 471.951 5.567 5 40 JKBB CC1(C)C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 16577730 QASRUQBWIJSWCO-KOSHJBKYSA-N 498.540 5.031 5 40 JKBB O=C1S/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 33681558 HMDGJEVVONPLSH-RQZCQDPDSA-N 485.370 5.223 5 40 JKBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 57314084 XPHLWCCOYVXFAH-UHFFFAOYSA-N 484.950 5.498 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 224280884 JTNGBWNXIIYFGK-LOSJGSFVSA-N 470.554 6.044 5 40 JKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408652921 IOKXMYPOVVZCSB-SKGAXEKPSA-N 479.319 5.001 5 40 JKBB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2sc2nc4cc(C)ccc4cc23)cc1 1327815 IVAHYTAVOQZENE-UHFFFAOYSA-N 458.568 5.635 5 40 JKBB COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(O)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O 1714424 DDOVAKHEWGAJHA-FCXRPNKRSA-N 464.430 5.272 5 40 JKBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)c1ccccc1n2CC 2425011 SCWRRXUVNJLNBE-UHFFFAOYSA-N 472.552 5.821 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1C 9064585 DZBCTCSKMZPWCH-UHFFFAOYSA-N 458.337 5.254 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)cc3n2)cc1 9226815 CRGAXVVJVYTZRS-UHFFFAOYSA-N 473.533 5.631 5 40 JKBB O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 11275659 AXWUCIUIVLCKBL-UHFFFAOYSA-N 488.849 5.009 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106726942 UFFNBIVPZFUEPB-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224448702 PWZJZUQEHYEZHG-BJKOFHAPSA-N 490.516 5.575 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1 408836718 UPJODJWOAVZPBE-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB COc1cc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc([N+](=O)[O-])c1OC 408987788 YELXRRGZEKHNFE-UHFFFAOYSA-N 453.476 5.128 5 40 JKBB O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cn2nnc3ccccc32)cc1 409182317 KOGKBSWUDNWTMD-UHFFFAOYSA-N 466.453 5.399 5 40 JKBB Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 853526 ZLGZDJLTGIDKGI-UHFFFAOYSA-N 461.337 5.061 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)c1ccc2ccccc2c1 2056280 ITJFJPFFWJHRRL-UHFFFAOYSA-N 461.315 6.358 5 40 JKBB CCCCN1C(=O)c2c(cc([N+](=O)[O-])cc2Oc2cccc(Cl)c2Cl)Oc2ccccc21 3619079 ZKVSQIGVKNXLBP-UHFFFAOYSA-N 473.312 7.247 5 40 JKBB CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc12 4013072 MAJOPULZFZBUDK-UHFFFAOYSA-N 468.487 5.089 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@H]3[C@@H]2c2ccc(F)cc2)n1 8455602 ISUVVAXPXKUSAN-ZMPHDFLXSA-N 491.498 5.526 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232819 IQAYNKCSYRPAKT-LPYMAVHISA-N 491.481 5.319 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 12651102 HLOQADYYUSYLLK-UHFFFAOYSA-N 475.913 7.037 5 40 JKBB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274758 QRQJHWXXAKKSRR-UHFFFAOYSA-N 487.541 5.130 5 40 JKBB O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16525546 HSVNJFVORWJIMV-UHFFFAOYSA-N 460.515 5.221 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccccc1 18067110 YAGSEIQCOXLKEW-DSNGMDLFSA-N 497.532 5.374 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1F 106697612 PFMKTWXKOILQQC-CFRMEGHHSA-N 487.512 5.973 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223877210 HNQVGNOZMFMGIX-ZEQRLZLVSA-N 488.525 5.141 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 408563154 UHPHDTVDBFNCJA-LNVKXUELSA-N 490.379 5.219 5 40 JKBB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 409331218 DHGYXSJLJQEOJG-UHFFFAOYSA-N 468.630 6.381 5 40 JKBB Cc1ccc(C)c(-n2c(SCc3cccc([N+](=O)[O-])c3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 3268472 AIJNVDNAALGHPT-MRXNPFEDSA-N 491.638 6.389 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15303433 YLQZSGHZOSKFIK-UHFFFAOYSA-N 477.361 5.407 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)c([N+](=O)[O-])c1 20151017 CKWGNMUXECUQPX-KPKJPENVSA-N 458.470 5.876 5 40 JKBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 22108100 UHPPXIHCOSIWHP-RXJAJXMTSA-N 482.923 5.672 5 40 JKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2)o1 22566007 URWPEXSILGVYGQ-UHFFFAOYSA-N 458.908 5.245 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)n1 98087416 WZHHHDJSUCNATG-IQGMZJFKSA-N 455.518 5.248 5 40 JKBB COc1ccc(C[N+](C)(C)C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 226071059 LMAANUVSXYHNCW-KXAIUKJUSA-N 450.643 5.179 5 40 JKBB CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 408564857 AOVGLHRTOMNNDI-GOSISDBHSA-N 497.802 5.500 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(F)cc1 408569567 JOESDHGHKLICJT-HSZRJFAPSA-N 482.512 5.543 5 40 JKBB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2c3ccccc3cc3ccccc23)C1=O 408803621 RHTZJKPEAINNJI-STLMOZLASA-N 477.653 8.047 5 40 JKBB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409095932 JBEFNCBMHZKRBL-CXUHLZMHSA-N 497.754 5.646 5 40 JKBB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409109673 JDAQXGWIDUNWRL-UHFFFAOYSA-N 461.345 6.800 5 40 JKBB CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 409125706 JXWGDBZMNJOOLJ-UHFFFAOYSA-N 485.875 5.276 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1CCCc1ccccc1 409128970 JMZJLQWCDNKREB-KGENOOAVSA-N 468.918 6.177 5 40 JKBB O=C1S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1c1cccc(Cl)c1 409353770 RDWJJLXLYXHTBG-MTJSOVHGSA-N 466.902 6.068 5 40 JKBB Cc1ccc2c(COC(=O)c3ccccc3C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(=O)oc2c1 2639371 MXBIHECPSCTEGZ-UHFFFAOYSA-N 477.856 5.251 5 40 JKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 3277189 RMCNYHMOAICCQD-DSYQZIDVSA-N 464.561 6.528 5 40 JKBB CCCc1c2nc(c3ccc([nH]3)c(CCC)c(CCC)c3nc(c4ccc([nH]4)c1CCC)C=C3)C=C2 3847138 MAVXPCQZWFTYRZ-UHFFFAOYSA-N 478.684 8.466 5 40 JKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc([C@H](C)CC)cc1 6150814 QHUAQVFCUUIJSE-LJQANCHMSA-N 467.617 6.406 5 40 JKBB CC(C)OC(=O)c1ccc2nc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)sc2c1 8903664 TZBVWIUSRITOSQ-UHFFFAOYSA-N 475.935 5.890 5 40 JKBB Cc1ccc(OCc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)c([N+](=O)[O-])n1 9469712 HGMDIJFHSKKQHZ-NRFANRHFSA-N 457.280 5.248 5 40 JKBB CCOC(=O)c1c(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)sc2c1CCCC2 12623476 GABQMJCLNAWGCI-UHFFFAOYSA-N 487.577 5.906 5 40 JKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 20611288 PIFCYWRWSPEVRN-UHFFFAOYSA-N 483.484 5.466 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 22534513 OHOANFBKJBVSRA-WEVVVXLNSA-N 452.677 6.572 5 40 JKBB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 226767692 SSXJOOODLDKLBL-UHFFFAOYSA-N 455.264 5.061 5 40 JKBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 408555501 XTOADMFXAKHFJH-UHFFFAOYSA-N 485.334 5.896 5 40 JKBB O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CC[C@H](c2ccccc2)C1 408974524 AYXOHGPDSGORFP-FQEVSTJZSA-N 455.521 5.509 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(Cl)cc(Cl)c2)cc1 2249806 RVSGKYTXGPIAPE-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB CC1CCN(C(=O)CSc2nc3ccc(Br)cc3c3nc4ccccc4n23)CC1 9473217 DPIHPTCWQXJXHS-UHFFFAOYSA-N 469.408 5.149 5 40 JKBB CN(Cc1cccc(Cl)c1)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13095837 WLIJXQQZQRFQLU-UHFFFAOYSA-N 480.895 6.690 5 40 JKBB CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 16574970 GDSBFCSVJYJAFA-UHFFFAOYSA-N 462.458 5.021 5 40 JKBB COc1ccccc1Nc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1N[C@@H](C)c1ccccc1 27548395 PWJRTLWXORENGF-AWEZNQCLSA-N 460.450 5.372 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 102788405 IZQAUHOWKOHMIF-HMILPKGGSA-N 485.515 6.694 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224322399 ZBKDHPOZKUOPTF-JWQCQUIFSA-N 470.554 6.044 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@@H]32)c2ccc(C)cc2)cc1 227545956 YDEAGMMRJKCARD-JJUMQRNRSA-N 490.559 5.944 5 40 JKBB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 408562720 RSOBCEXYIHNGJF-NMWGTECJSA-N 470.765 6.154 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccc(Cl)cc1 409194160 NOBUXXPQACJSPX-WOJGMQOQSA-N 453.863 5.676 5 40 JKBB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3365706 BUXOYQDHQFUCTC-UHFFFAOYSA-N 462.845 5.000 5 40 JKBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1NC(=O)c1ccccc1 13942942 XWKSFKCUUPYQCO-UHFFFAOYSA-N 454.280 5.170 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 14278352 JFPZBPHRFZLOOP-UHFFFAOYSA-N 476.920 6.217 5 40 JKBB O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(C2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 15228167 RUUOTWGDLWMEHE-UHFFFAOYSA-N 490.468 5.989 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 20169395 XHQXZQNNSOIKLI-QHCPKHFHSA-N 452.898 5.068 5 40 JKBB O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c(ccc3ccccc32)o1 20502603 GMGCGFMFZJSFLK-UHFFFAOYSA-N 460.577 5.853 5 40 JKBB biogenic O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 223406922 CFUVXHXCTQPFDQ-ZEQRLZLVSA-N 456.527 5.423 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(F)cc1 408568109 HROIEIHHNYMJFV-HSZRJFAPSA-N 482.512 5.543 5 40 JKBB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2218195 GQLPTZCWKBGLGI-JOCHJYFZSA-N 483.505 5.678 5 40 JKBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(C)nc32)cc1 2427202 SSPKZVJZKDYVGJ-MRXNPFEDSA-N 469.545 5.130 5 40 JKBB CCCCOC(=O)c1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1 2446030 LMHNHYJYOKYNQW-UHFFFAOYSA-N 456.502 5.017 5 40 JKBB O=C(Oc1c(Sc2ccc([N+](=O)[O-])cc2)c(=O)oc2ccccc12)c1ccc(Cl)cc1 3194479 RTCRIYTVLQDJGD-UHFFFAOYSA-N 453.859 5.725 5 40 JKBB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 3325257 ZRLYFERFZYSTDO-QFIPXVFZSA-N 477.944 5.488 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 3669344 BXZUGBSKXHNRDA-UHFFFAOYSA-N 465.556 6.066 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccs4)C[C@@H](C)C[C@@H]3[C@@H]2c2cccs2)n1 8455491 ZIIBGJLLXHGQHL-IGRULWSKSA-N 481.603 5.617 5 40 JKBB CCCCn1cc(OC(=O)c2ccc(C)cc2)c2c1nc(-c1ccc(C)cc1)n1c3ccccc3nc21 9307439 GBJMPVQZWNAWGT-UHFFFAOYSA-N 488.591 7.140 5 40 JKBB COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 20151019 DIXLZHCXXQONGM-KPKJPENVSA-N 474.469 5.576 5 40 JKBB COc1ccccc1-n1c(SCc2cn3cc(Cl)ccc3n2)nc2cc([N+](=O)[O-])ccc21 33422067 SOXIRHODGAWDJT-UHFFFAOYSA-N 465.922 5.536 5 40 JKBB O=C(c1ccccc1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 33692464 AHURZYADMOBBMO-FFETZYIDSA-N 482.496 5.940 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 408569072 IPNLIHJWCBHGED-HXUWFJFHSA-N 485.367 6.861 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 409164806 ODSFGNOLVSDWKN-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1 409181683 DWLGQIZIDVVKFE-UHFFFAOYSA-N 479.445 5.066 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1sc2cc(Cl)ccc2c1Cl 9062506 IOPUDJUQJXDNNK-UHFFFAOYSA-N 451.316 5.887 5 40 JKBB CCCn1nc2ccccc2c1[P@@](=Nc1ccccc1[N+](=O)[O-])(Oc1ccccc1F)C(C)(C)C 12559861 IHLNFPDIMYTKJT-PGUFJCEWSA-N 494.507 7.444 5 40 JKBB COc1ccc(OC)c([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1 13557571 PTIBIDXVEJODHR-QHCPKHFHSA-N 468.465 5.010 5 40 JKBB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc1)=NCC2 35623016 QVHGOJMETBSBMB-UHFFFAOYSA-N 494.935 5.497 5 40 JKBB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccc([N+](=O)[O-])cc1 100840586 OFSAYDZMVDYQKP-NRFANRHFSA-N 472.892 5.148 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 214895539 FTMCUMJBFGESAA-RGVLZGJSSA-N 499.342 6.162 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408566561 FPNAKMFMOBKKLA-VIQOPKQKSA-N 498.366 5.141 5 40 JKBB COc1cc(CNc2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409175961 GAIBCOBUSZXUPK-UHFFFAOYSA-N 452.816 6.680 5 40 JKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2746460 KMPYDSCNIMFPIX-HSZRJFAPSA-N 489.329 5.806 5 40 JKBB COc1cc2oc3cc(=O)cc4oc(-c5ccccc5)cc(c2c2c1CC[C@H](c1ccccc1)O2)c43 5618880 ZKOTWKIEVACBFM-HSZRJFAPSA-N 474.512 7.434 5 40 JKBB biogenic COc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OC)c(Cl)c3)n2)cc1Cl 9600614 GZBZFPIMCUUNPE-UHFFFAOYSA-N 450.282 5.504 5 40 JKBB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269548 VQRINNPTFXZXFQ-UHFFFAOYSA-N 472.570 5.283 5 40 JKBB Cc1cccc2c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(-c3ccccc3)nc12 18196186 IZIUSJQNPKZCRE-UHFFFAOYSA-N 452.514 5.081 5 40 JKBB Cc1noc(C[C@@H](CC(=O)c2ccccc2OCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] 19872776 FBIHLDDMVCUKFR-JOCHJYFZSA-N 456.498 6.070 5 40 JKBB CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257620 HDYWTWAHMQGQQL-CQSZACIVSA-N 493.347 5.466 5 40 JKBB CC1=NN(c2ccccc2)[C@]2(SC=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 59482985 IWKFZBLSNGJXQH-JOCHJYFZSA-N 460.475 5.054 5 40 JKBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 224581154 ARGKCSMDZUYZMR-DNQXCXABSA-N 472.526 5.436 5 40 JKBB COc1ccc(C[N+]2(C[C@@H](O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CCCC2)cc1 226070896 KWJXPWPHKJYWQS-XMMPIXPASA-N 454.675 5.841 5 40 JKBB O=[N+]([O-])c1ccc(C[N+]2(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CCCCCC2)cc1 226072252 WULCCOGOFVCLJX-MHZLTWQESA-N 461.582 5.593 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1)c1ccccc1 408750717 QVLAHAOVWDFEKF-UHFFFAOYSA-N 493.522 5.130 5 40 JKBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1ccccc1Cl 408977210 UVTBZXSUOSHKFE-UHFFFAOYSA-N 466.957 6.342 5 40 JKBB O=C(Nc1cccc2ccccc12)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409018147 SOLQZMXCWBWRBU-UHFFFAOYSA-N 495.538 7.883 5 40 JKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc(Br)c1 409168996 OPINBHQFXBOSFN-NVNXTCNLSA-N 453.701 5.247 5 40 JKBB COc1ccc(CCn2c(-c3ccc(Cl)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2212214 JHJWYTXFLBEMTP-UHFFFAOYSA-N 458.901 5.075 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 3015973 FGBWKSPCWOUKID-UHFFFAOYSA-N 452.310 5.631 5 40 JKBB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c23)cc1 6157191 FEMKHOMEIHTYJH-UHFFFAOYSA-N 496.548 6.382 5 40 JKBB CN(Cc1cccc(Cl)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12556188 KRPSUYMTPYJXAO-UHFFFAOYSA-N 455.864 5.142 5 40 JKBB CCc1cccc(CC)c1NC(=O)CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc12 13511016 JKQGJLJQBNNANA-UHFFFAOYSA-N 479.587 5.517 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(Cl)cc6)o5)nc34)c12 13644175 KWFCKQRHWVPDNU-UHFFFAOYSA-N 497.914 6.626 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 36408650 HXLDLGPOKADBKW-ZFVVBOAOSA-N 466.793 5.890 5 40 JKBB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H]([N+](=O)[O-])[C@H]2C1 123235512 LKHJDALEYCAKSL-KPNCCWIZSA-N 475.714 7.295 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1 408577100 YOJLXQKQYRROOO-OAQYLSRUSA-N 481.346 5.927 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)cc1 408782953 IZQOZRBISQXJRJ-ZRELAVNMSA-N 455.923 5.670 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 22565203 IAZZZRBNLRXGPP-UHFFFAOYSA-N 458.522 5.044 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C 224278661 AYNZWEIUJWPMOS-RPBOFIJWSA-N 469.570 5.574 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409203371 XOHYHGWXEDZDJE-VXLYETTFSA-N 483.889 5.685 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2Cc1ccccc1 2246628 UJLQJFMWKXXADF-UHFFFAOYSA-N 465.944 5.353 5 40 JKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 4426971 YQSWFNWVZHCVHN-DEOSSOPVSA-N 457.515 5.105 5 40 JKBB CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc1c(N[C@@H](C)CCCN(CC)CC)ccnc12 4428708 AIVNBTKNMKJHQV-ZEQRLZLVSA-N 492.756 6.628 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc(C)cc4)CCC[C@H]3[C@H]2c2ccc(C)cc2)n1 8455379 JUQKZCJFATZVTA-PCISXTJWSA-N 483.572 5.865 5 40 JKBB COc1ccc(-c2nc3c4ccccc4oc3c3c2c(=O)oc2cc4c(cc23)CCC4)cc1OC 11865262 UMTJOBQOHDBWQN-UHFFFAOYSA-N 463.489 6.414 5 40 JKBB biogenic COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 14273040 TVKUGBXLWKSRCI-FMIVXFBMSA-N 451.866 5.161 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@@H]1c1nc2ccccc2s1 32888471 JNRBLRZGEAPEHL-HSZRJFAPSA-N 453.567 5.518 5 40 JKBB CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 205679094 LOQHUPJRKHDQNE-LICLKQGHSA-N 493.335 5.001 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224222082 QMPFXEPEFLZJHZ-BJKOFHAPSA-N 456.527 5.735 5 40 JKBB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224790219 PNZXEEQEETUBCA-RPWUZVMVSA-N 487.610 5.657 5 40 JKBB O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409176917 AWUHNWIJSWPVJJ-UHFFFAOYSA-N 466.298 5.091 5 40 JKBB Cc1cccc(OCCNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 3663935 AOJRLYOUAGXQNN-UHFFFAOYSA-N 460.408 5.523 5 40 JKBB CCCCCCN(CCCCCC)[C@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 4803438 ZFIWQAFBIFLDTN-JOCHJYFZSA-N 496.533 8.789 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-] 8835263 IRBKUJKSZPIVCX-UHFFFAOYSA-N 478.555 5.315 5 40 JKBB O=c1oc2ccccc2c(O)c1C(c1cc([N+](=O)[O-])ccc1Cl)c1c(O)c2ccccc2oc1=O 9361063 WIAMINJWTMXMSQ-UHFFFAOYSA-N 491.839 5.052 5 40 JKBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1SCc1cc(Cl)cc2c1OCOC2 9509787 JDLIYXTWVZSIRI-UHFFFAOYSA-N 492.962 5.208 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 12560028 XGNZZDSBFVZOGK-FQEVSTJZSA-N 484.737 6.002 5 40 JKBB Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)CC2=O)cc1 16292907 HOYWOQPDBJTLCT-SFHVURJKSA-N 480.904 5.445 5 40 JKBB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] 22748830 SXEVMXWNSHKMLG-UHFFFAOYSA-N 490.585 5.580 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 57315815 CNQZZGAXSZOBOU-DHZHZOJOSA-N 472.320 5.144 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224620323 JCAIRPQIFBVVFP-DNQXCXABSA-N 488.525 5.141 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)c([N+](=O)[O-])c1 409171951 FHMIMABHSIGDPC-UHFFFAOYSA-N 473.235 5.415 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1852853 GQPBDCOJCWFEHP-RUZDIDTESA-N 487.895 6.822 5 40 JKBB O=C(Nc1ccccc1C(=O)NCCCSc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 8879599 MHHTXHQZGLLKKJ-UHFFFAOYSA-N 469.950 5.413 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1)c1ccc(F)c([N+](=O)[O-])c1 8892442 IUVCOGYOXAMTGT-UHFFFAOYSA-N 488.441 5.332 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900174 BZDDFQVKGKUJES-UHFFFAOYSA-N 496.882 5.284 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2cccc3ccccc23)c1 9062466 YKVAGKJOISFAAV-UHFFFAOYSA-N 495.520 5.771 5 40 JKBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 9495307 NUADCQPLEQKFLD-OAQYLSRUSA-N 456.285 5.086 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 32115162 MJGSLTCOCVCJIC-UHFFFAOYSA-N 474.498 5.029 5 40 JKBB C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 40487537 UPLQGFQGTUNAID-JTHBVZDNSA-N 464.319 5.774 5 40 JKBB O=c1nc2n(nc1-c1ccc(F)cc1)[C@@H](/C(Cl)=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 104240533 YHHULYYWKAISET-FMTUWFKASA-N 475.867 5.224 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1[N+](=O)[O-] 205701078 CUZFCOWVBUINAY-RGVLZGJSSA-N 465.443 5.308 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc45)C3=O)o2)cc([N+](=O)[O-])c1C 214747854 PEBVADLIIYPLIF-AFUMVMLFSA-N 484.533 6.861 5 40 JKBB COc1ccc([C@H](Nc2cccc([N+](=O)[O-])c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 1823244 JPYBUJLSSWWVLP-AREMUKBSSA-N 490.452 7.065 5 40 JKBB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1[N+](=O)[O-] 2199075 ZLPJVBKHSAVEHY-UHFFFAOYSA-N 474.900 6.120 5 40 JKBB CCCC1=Cc2nc1ccc1[nH]c(cc1CCC)c1nc(ccc3[nH]c2cc3CCC)C(CCC)=C1 3847137 QMBOWCIYCNOEAU-UHFFFAOYSA-N 478.684 8.901 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 6280831 VDUMSRLVHGIOAQ-UHFFFAOYSA-N 480.549 6.681 5 40 JKBB O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 8627847 NDTFOFJKCVWOLE-RUZDIDTESA-N 460.426 7.057 5 40 JKBB CC(C)(C)c1cc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc(C(C)(C)C)c1O 9461621 ICTUKKGOZNVDJA-SANMLTNESA-N 471.601 7.251 5 40 JKBB CC[C@@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)NCc1ccco1 9473209 APGRJERDENVSNX-HXUWFJFHSA-N 495.402 5.578 5 40 JKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)Nc1ccc(F)c(Cl)c1 13879934 PPUMRNGWDYNEHW-UHFFFAOYSA-N 497.939 5.425 5 40 JKBB C[C@H](Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Br)cc1 14185381 JCUAYKFREUQZNQ-AWEZNQCLSA-N 484.306 5.016 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3c3nc4ccccc4n23)cc1 16310656 YDJKLRDZFHENMP-UHFFFAOYSA-N 464.550 5.812 5 40 JKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccccc1[N+](=O)[O-] 32109349 KDCUNEQFHJJMAD-UHFFFAOYSA-N 497.330 5.292 5 40 JKBB COc1cccc(-c2c3ccc([N+](=O)[O-])cc3c(=O)n3c2[nH]c2ccc(C(F)(F)F)cc23)c1 102941509 FNIJLBDXNRRTMO-UHFFFAOYSA-N 453.376 5.537 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224354818 ZNRRVLOPLLMZQZ-RPBOFIJWSA-N 470.554 5.989 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408569358 VVVAEURPYQOLKK-FMNCTDSISA-N 498.366 5.094 5 40 JKBB CCP1(CC)(CC)C[C@H](c2ccccc2)N(c2ccccc2)N=C1c1ccc([N+](=O)[O-])cc1 409333203 NRHFWGUDNJSRLS-AREMUKBSSA-N 461.546 7.131 5 40 JKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1 409351933 BUQGVXBDMDYQSL-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409360351 PERDALLRDXERNG-RGVLZGJSSA-N 468.874 5.427 5 40 JKBB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1Cl 1824986 FJLRRZKJYPCOBE-VWLOTQADSA-N 469.368 7.037 5 40 JKBB CC(C)(C)c1ccc(CSc2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3s2)cc1 3665348 ASQBQNMUQBTNIT-UHFFFAOYSA-N 477.611 7.047 5 40 JKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1 8903004 RQNAFLQQGUBITC-UHFFFAOYSA-N 467.481 7.039 5 40 JKBB CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)c1 9008876 QZMWCSMAMQISMG-HXUWFJFHSA-N 474.561 5.129 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)nc4ccc(Cl)cc34)o2)cc1 12486881 HAHVULGFIOCQRC-UHFFFAOYSA-N 475.917 6.201 5 40 JKBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(OCc2ccccc2)c1 14275684 GCSLLVRLLJICQX-UHFFFAOYSA-N 490.566 5.424 5 40 JKBB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)sc2c1 59489578 JXCZLEMLFRYLRJ-UHFFFAOYSA-N 486.534 5.779 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 95946748 SWTNRWVKVVHCTI-CSZKYDFKSA-N 479.583 5.920 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 214606339 FVPYIZFXPKHRCC-WSDLNYQXSA-N 491.481 5.840 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 214848239 XRZOPYXHYMFNMA-RGVLZGJSSA-N 488.352 5.988 5 40 JKBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 222716204 GIUAJPMCSYTDJS-YKAGIRRDSA-N 450.520 5.238 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565098 HRAWXSGSMMPZFZ-WQWSHVPRSA-N 498.366 5.094 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F 408571165 NYUNAUQNGKBSPK-IBGZPJMESA-N 499.336 6.066 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc12 408611475 SHKPBBIJKWASGX-UHFFFAOYSA-N 462.933 6.991 5 40 JKBB CC(C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409016344 RLJZKWHCXMAKEM-VCHYOVAHSA-N 477.336 5.381 5 40 JKBB CCN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409098845 QRGKDHFSWZIONX-GIJQJNRQSA-N 493.335 5.001 5 40 JKBB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409119888 UROCMPJRHPIAJO-UHFFFAOYSA-N 451.737 7.055 5 40 JKBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 409345963 LYSGLBOOJYXQPS-UHFFFAOYSA-N 478.317 5.174 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4c(F)cccc4Cl)cc3c3ccnc2c31 8792398 IJPALHCPVOZCDB-UHFFFAOYSA-N 488.902 5.981 5 40 JKBB biogenic O=c1c2ccc3c(=O)n(C4CCCCCCC4)c(=O)c4ccc(c(=O)n1C1CCCCCCC1)c2c34 8826514 LMKDPWVVAARSFB-UHFFFAOYSA-N 486.612 5.636 5 40 JKBB O=C(CN(Cc1ccco1)C(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 15317742 DCCWIEQDKLPOIJ-UHFFFAOYSA-N 481.814 5.141 5 40 JKBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Cl)cc1Cl 16228241 QLGVCQKRAGPBLG-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 107895189 YABVAQKLXNNVLD-SFHVURJKSA-N 494.404 5.450 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 224037108 QTALHFGZEVBEKP-DNQXCXABSA-N 486.509 5.156 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1 224218748 BLKGSFTYAPIOCW-JWQCQUIFSA-N 486.553 5.744 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1 224887171 NPBMPCFBKHGKTC-DHIUTWEWSA-N 492.944 5.786 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 409177626 BDTNOUHUUBTOCW-UHFFFAOYSA-N 494.459 5.545 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc(F)c(F)c1F 409358508 KYXNCPAZIWHIBV-CIAFOILYSA-N 492.478 6.085 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 1860228 JDNYEIMNRFKYBI-AWEZNQCLSA-N 463.921 7.131 5 40 JKBB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 2260857 BTPJAGLGMDQWSP-QRQCRPRQSA-N 496.516 5.213 5 40 JKBB aggregator CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COc1ccccc1[N+](=O)[O-] 3308908 KLTDFDYLRJDDFR-UHFFFAOYSA-N 460.895 5.171 5 40 JKBB Cc1cc(C)cc(-n2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(C)c(C)c2)c1 8739827 PYXXKWPVZRVKMV-UHFFFAOYSA-N 459.553 5.815 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1C 8832096 NHCHJPSSULHELP-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 8836550 VNLGKTVCIIXHRS-NDBXHCKUSA-N 460.917 5.245 5 40 JKBB Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 8974274 RUIDKYWXIWVKPO-UHFFFAOYSA-N 468.296 5.673 5 40 JKBB Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 9569667 WBFPAEBBQMGKBA-UHFFFAOYSA-N 464.400 5.690 5 40 JKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc2ccccc2cc1O 12659965 IEUAMGLSVXSMTG-QHCPKHFHSA-N 476.872 5.644 5 40 JKBB C[C@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13068544 SZWAMLBDKCTFDC-LBPRGKRZSA-N 479.967 5.301 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 14274583 QZZQXFRIDPYJPL-XBXARRHUSA-N 480.304 5.827 5 40 JKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14277755 BTBXBNROAFHUQK-UHFFFAOYSA-N 497.338 6.562 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccc(F)c5)nc4c3)cc2[N+](=O)[O-])CC1 57313123 IFCMHUMTOADAOE-UHFFFAOYSA-N 474.492 6.031 5 40 JKBB O=[N+]([O-])c1cc(CN2CCN(c3cccc(Cl)c3)CC2)ccc1Sc1ccc(Cl)cc1 63111067 MEOIDRCXAVJIBY-UHFFFAOYSA-N 474.413 6.375 5 40 JKBB O=C(CSc1nc2ccccc2nc1-c1ccccc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 12138918 FLTUUMCMMDIZGI-UHFFFAOYSA-N 450.907 5.589 5 40 JKBB Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 13134591 LBIJINNKWFLJNP-UHFFFAOYSA-N 467.566 5.332 5 40 JKBB Cc1ccc([C@@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)cc1 13139480 CRJLQWDHIDWDDI-HSZRJFAPSA-N 464.485 5.639 5 40 JKBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 13633032 MTQZQBHVYUAPJO-UHFFFAOYSA-N 485.371 5.476 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cccc(COc4ccc(Cl)cc4C)c3)nc12 13643679 BAIYMHSEEAJGHT-UHFFFAOYSA-N 486.000 6.712 5 40 JKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14277775 GSXJRSLTYCMUHC-UHFFFAOYSA-N 494.290 7.222 5 40 JKBB Cc1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 14412480 QQYACLQIRDRBAX-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 20528728 SCBCUTQNFOUFDB-UHFFFAOYSA-N 492.963 5.025 5 40 JKBB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 39389020 NRMQZUKKOBNRNF-SFHVURJKSA-N 491.613 6.620 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)o2)c([N+](=O)[O-])c1 72193660 OFTBMDOTVVSWIB-UHFFFAOYSA-N 489.450 6.125 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 106015419 QEKIEKMHKQUNFP-BCCVMWATSA-N 499.592 5.030 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224247999 CWLMVSGLKKBFSB-RPWUZVMVSA-N 456.527 5.735 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224411986 XJNYBLAIYLFYDM-PKTZIBPZSA-N 460.490 5.566 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Br 409054652 UYZOHABOQWUGJY-UHFFFAOYSA-N 498.333 6.539 5 40 JKBB FC(F)c1cc(-c2ccccc2)c2c(n1)sc1c2ncn2nc(-c3ccnn3C(F)F)nc12 13643817 XQFJBPBINAQRNE-UHFFFAOYSA-N 469.427 5.750 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Br)cc1 14071321 RABRWYHFDFHCNV-UHFFFAOYSA-N 496.774 5.020 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1O 14270225 VTYNFVHSHRTABG-UHFFFAOYSA-N 464.528 5.012 5 40 JKBB O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)C1c2ccccc2Oc2ccccc21 24522323 SULUSNOEJKUBQT-UHFFFAOYSA-N 487.895 7.022 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccco1 102788390 FIXAMUNRUJXBJH-QUGAMOGWSA-N 457.486 6.148 5 40 JKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223377159 UYWISHQMMANCGH-AMGIVPHBSA-N 487.600 5.001 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 225055408 KLQOVDLNVAPPGI-IZZNHLLZSA-N 499.596 5.725 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(F)c1 408605619 GFYLOBRVJUKTDI-UHFFFAOYSA-N 475.314 6.086 5 40 JKBB CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409057685 KQUNMCBCRFVTPZ-UNOMPAQXSA-N 491.363 5.773 5 40 JKBB Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 409099730 TUBUSNNFUBTCET-UHFFFAOYSA-N 456.449 6.321 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2cccc(C(F)(F)F)c2)cc1 2251101 UATFHKKGANKVGF-UHFFFAOYSA-N 499.496 5.968 5 40 JKBB O=[N+]([O-])c1cnc(N(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)nc1 4106807 YXRAWHHTWPAWAT-UHFFFAOYSA-N 456.346 5.629 5 40 JKBB C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c2C(=O)O1 9359555 BYUIOHLYMPLHMO-OPQSBORISA-N 453.491 5.361 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 12562267 NBASGOMROIVVHJ-UHFFFAOYSA-N 499.854 5.320 5 40 JKBB Cc1cc(-c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)nn1C(F)F 13643920 DLRPFHXKZJZOLN-UHFFFAOYSA-N 483.454 6.059 5 40 JKBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)c2ccccc12 95480898 HYXWSZNOXVFSGR-UHFFFAOYSA-N 465.509 6.686 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl 205662605 FBUPHTXZWYZDIE-RGVLZGJSSA-N 471.897 5.474 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224386871 CPBDHFXDHFVSQH-CLJLJLNGSA-N 484.581 6.550 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409149059 WPMHHMHDTHSGPS-PXLXIMEGSA-N 491.525 5.460 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409342501 GPUNCTDFEBWBRZ-ZVHZXABRSA-N 486.980 6.630 5 40 JKBB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 4013076 FGRPPTNBCDHZSA-UHFFFAOYSA-N 480.926 5.451 5 40 JKBB Cc1ccc2oc3cc(NCCN(C)Cc4ccccc4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9111296 HPXIUESZTUQVKH-UHFFFAOYSA-N 489.575 5.793 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9635959 CIKLFIYSDGFYGU-UHFFFAOYSA-N 466.338 5.845 5 40 JKBB CC1(C)C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 16577724 QASRUQBWIJSWCO-HOYKHHGWSA-N 498.540 5.031 5 40 JKBB Cc1nn(CCCC(=O)Nc2cc(Oc3ccc4c(c3)CCC4)cc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 18210032 FYTHCEORQKLFJP-UHFFFAOYSA-N 479.493 5.016 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] 20529051 VFQSYVKXVVNOTN-SOFGYWHQSA-N 478.244 5.730 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]32)c2ccc(C)cc2)cc1 409079170 KGORTEMSXLSBLV-ALMNYQQGSA-N 490.559 5.944 5 40 JKBB O=c1c2c(-c3ccc(Cl)cc3)csc2nc2c3ccccc3c(NCc3ccccc3)nn12 2679336 HVOMEMMVONVPBZ-UHFFFAOYSA-N 468.969 6.390 5 40 JKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1Sc1ccccc1[N+](=O)[O-] 3165114 JFXKASFTGRWVNE-UHFFFAOYSA-N 480.527 5.470 5 40 JKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3282003 FSWVIYYUTRPZKF-UHFFFAOYSA-N 482.901 5.748 5 40 JKBB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 8901737 BPIHJJDAUVLGGG-WEVVVXLNSA-N 491.375 5.002 5 40 JKBB CCCCN(C)C(=O)CSc1nc2ccc(Br)cc2c2nc3ccccc3n12 9473219 QWYWSSGJPRMUCW-UHFFFAOYSA-N 457.397 5.149 5 40 JKBB O=C(Nc1cccc2ccccc12)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 9553880 AVQWDLVFXZOKLN-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32114924 WOBZLDXIKVQMHT-UHFFFAOYSA-N 488.525 5.337 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc2c1CCCC2 57312888 BDCJPSUWDNZRJW-UHFFFAOYSA-N 471.579 5.200 5 40 JKBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@H](C)c1cc([N+](=O)[O-])ccc1OC)CC2 62591858 NEPSKJNASROUDR-WGDIFIGCSA-N 491.544 5.039 5 40 JKBB COc1cc(C(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)c([N+](=O)[O-])c(OC)c1OC 62626198 VUQAOJBXMZJWAB-UHFFFAOYSA-N 475.910 5.073 5 40 JKBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 222986204 QBOHRUKXYBWKIS-VXKWHMMOSA-N 452.536 5.031 5 40 JKBB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 224937593 QSOVNVSGOUWBJT-QGZVFWFLSA-N 496.029 5.161 5 40 JKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225352808 AQUOMLPFICGHDD-CLJLJLNGSA-N 499.596 5.745 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1 408991555 QIGXFQUPWYNXBF-XMMPIXPASA-N 468.538 5.966 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 409086983 IDEFIPOZAAVECM-UHFFFAOYSA-N 476.867 6.666 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 409113357 AKGTVDNXEGJVTL-MHZLTWQESA-N 494.507 5.864 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] 409358320 LEWILPYZOVGVHS-SRZZPIQSSA-N 482.901 5.736 5 40 JKBB Cc1cccc(Oc2ccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)cc2)c1 1517418 AZERGANIYUASDV-UHFFFAOYSA-N 466.449 6.288 5 40 JKBB CC1=CC(C)(C)N(C(=O)c2ccc(Cl)cc2)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc21 1841230 XRFLAZVGZFRXJV-UHFFFAOYSA-N 476.916 6.310 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(F)c(Cl)c3)c2ncn1Cc1ccccc1Cl 2246549 ZZLHFIXCMLHBEF-UHFFFAOYSA-N 490.325 5.778 5 40 JKBB Cc1ccc(-c2nc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)no2)cc1[N+](=O)[O-] 3013703 LLOVMWNBBAVYMZ-UHFFFAOYSA-N 479.290 5.635 5 40 JKBB CCC1=NN(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 9075425 CFXJCALTKUICOP-VWLOTQADSA-N 471.542 5.495 5 40 JKBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 9281025 IVDRVLCURNZVJA-IBGZPJMESA-N 468.252 5.153 5 40 JKBB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 20145354 AFZHLYJWSMGPQO-UKTHLTGXSA-N 460.442 5.268 5 40 JKBB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 226630220 WJBNWJGIKUVPFI-FOCFSEODSA-N 478.504 5.027 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F 408565137 BHMSTYBRXZAFJI-FQEVSTJZSA-N 468.912 6.347 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 408569086 ITKNQDMFDBSXKP-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB CCOc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1 409109142 YJUBAZPKZNENFP-UHFFFAOYSA-N 466.950 6.187 5 40 JKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(SC(F)F)cc2)c1 3242993 QQEWXBNXPLUYGO-UHFFFAOYSA-N 471.514 5.845 5 40 JKBB O=C(O)c1ccc(-c2nc3c4ccccc4c4ccc(I)cc4c3[nH]2)cc1 6446941 CIYNUCQFDIVCLD-UHFFFAOYSA-N 464.262 5.839 5 40 JKBB CC(C)Oc1cc(NC(=O)c2sccc2Oc2ccccc2[N+](=O)[O-])c(Cl)cc1Cl 8855315 LEAZQBJFNKDRON-UHFFFAOYSA-N 467.330 6.795 5 40 JKBB CCCCC(=O)Oc1cn(CCc2ccc(F)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9242727 OWAYLZQEMGAMRO-UHFFFAOYSA-N 486.591 6.657 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1-c1nc2ccccc2s1 9972115 YMXXBDNZSNQHTL-JQIJEIRASA-N 467.506 6.783 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 18193026 XTMGQVUNGXDYJZ-JLHYYAGUSA-N 469.428 6.454 5 40 JKBB Cc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)ccc1[N+](=O)[O-] 59557258 SRVSZXLVELRBNY-UHFFFAOYSA-N 464.953 5.131 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1cccc2ccccc12 214948967 WFODGUACVNFVPG-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OC 215007362 OEVJIIHSAOOWFQ-LICLKQGHSA-N 493.335 5.001 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029632 HRQBTARWVOJQOQ-DHIUTWEWSA-N 464.547 5.174 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 408569087 ITKNQDMFDBSXKP-XMMPIXPASA-N 478.549 5.712 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(NC(=O)c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])ccc2c34)cc1 1908459 KKVIVRPVGUTXNC-UHFFFAOYSA-N 468.425 5.509 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(Cl)c(C)c3n2)cc1 9371731 UZAOLVWQIAIWLZ-UHFFFAOYSA-N 474.900 6.120 5 40 JKBB CCCCc1nc2sc3c(ncn4c(SCC(=O)Nc5ccccc5)nnc34)c2c2c1CCC2 9428683 LCKCOTKOYOOTES-UHFFFAOYSA-N 488.642 5.449 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 9805907 NDWWDWDNMBFJFH-UHFFFAOYSA-N 460.917 7.232 5 40 JKBB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4N(CC[N+](C)(C)C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 103941716 VUNLYSHYFRFNNU-UMJUAOIRSA-N 471.794 7.130 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1 214657437 LXOGRFVFQZXSTO-YBFXNURJSA-N 483.889 5.183 5 40 JKBB O=C(NCCSCc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408921140 FBZFZGUZPXQYIJ-XQNSMLJCSA-N 452.963 5.838 5 40 JKBB O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 1840831 IWNDCKBERBRREY-UHFFFAOYSA-N 497.894 6.870 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(NC(C)=O)cc1 2211267 BJDGFLWMDXBVPS-UHFFFAOYSA-N 468.561 5.131 5 40 JKBB O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4180337 JWGFCOKSUZQTEI-UHFFFAOYSA-N 496.306 6.666 5 40 JKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 8871131 XAQDNMBZTSMEBU-LBPRGKRZSA-N 452.345 5.870 5 40 JKBB Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Br)cc2)cc1 8934452 BQKNXFFGQPSGNK-UHFFFAOYSA-N 452.355 7.169 5 40 JKBB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)C1 12542484 YSITVHDEIGBBOV-SIBVEZHUSA-N 499.995 5.444 5 40 JKBB CCCOc1ccc(CSc2ncnc(SCc3ccc(OCCC)cc3)c2[N+](=O)[O-])cc1 13774789 QVMPTOTUFZCLGC-UHFFFAOYSA-N 485.631 6.547 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611827 URPUHQOINVBXGE-XBXARRHUSA-N 488.327 5.650 5 40 JKBB COc1ccc([C@H]2CC(c3ccccc3)=N/[N+]2=C2/NC(=O)S/C2=C\c2ccc([N+](=O)[O-])cc2)cc1 32594552 JQOXYJDJLCURGZ-AUAXKSBWSA-O 485.545 5.361 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(NC(=O)c2cccs2)cc1 59294428 ZWLGGVPBGBCVMT-WYMLVPIESA-N 459.483 5.821 5 40 JKBB Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107831117 LDLJBWWWWZPUBD-UHFFFAOYSA-N 460.309 5.053 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224315774 RIZJRJGEFBRCBE-JWQCQUIFSA-N 470.554 6.044 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 408782205 FXBPVHHZFBFWBU-MFCBUNOESA-N 484.581 5.760 5 40 JKBB O=C(NCc1ccccc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409022954 JBMBOWYHJLOULP-UHFFFAOYSA-N 459.505 6.407 5 40 JKBB CC(C)(C)c1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(C(C)(C)C)c1 409180832 WAISUNWQFXDOCM-UHFFFAOYSA-N 461.558 7.339 5 40 JKBB O=[N+]([O-])c1ccccc1NCCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1 584906150 QKFHVYHQROAPEO-UHFFFAOYSA-N 485.396 6.776 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1F 980323 CJBTXXNZWCFMTP-UCQKPKSFSA-N 456.498 5.807 5 40 JKBB Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)cc1 9056736 IEFQCZCUBROMGX-UHFFFAOYSA-N 494.960 5.932 5 40 JKBB Cn1ccnc1Sc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1[N+](=O)[O-] 9613461 FKXXGMVFKKXWJR-NTUHNPAUSA-N 499.527 5.488 5 40 JKBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])C1 12311712 OTKCOWCTUUTXNF-KKUMJFAQSA-N 494.375 5.568 5 40 JKBB C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 15303449 PHSQMKVKFHIXHK-MRXNPFEDSA-N 492.498 5.081 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 36319058 AEMQDLSNILVURF-YIIHUHPWSA-N 499.592 5.030 5 40 JKBB Cc1nn(-c2ccccc2)c(O)c1C(c1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1O 100863736 NWEOYUOCHHBMJF-UHFFFAOYSA-N 481.512 5.174 5 40 JKBB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)cc1[N+](=O)[O-] 9371780 OQXHQLPEFFMAEA-UHFFFAOYSA-N 476.330 6.442 5 40 JKBB O=C(Nc1ccc2sc3ccc(Cl)cc3c(=O)c2c1)c1sc2ccccc2c1Cl 12360144 GCYVUYZLODRZHS-UHFFFAOYSA-N 456.375 7.189 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(F)cc1 13777770 CFQJURVDZRPFOM-SSBOKUKZSA-N 488.518 6.183 5 40 JKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 22739377 HSRLIRVSXSLBNE-UHFFFAOYSA-N 482.540 5.429 5 40 JKBB COc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 22747491 VRWOIEIFQJLYOA-UHFFFAOYSA-N 489.528 5.516 5 40 JKBB O=c1[nH]c2ccccc2cc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCC1 79491511 UBJKSZOVLOIWAG-UHFFFAOYSA-N 466.497 5.343 5 40 JKBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100864380 HNYADDICHTXWIO-UCHNFPEFSA-N 480.611 5.884 5 40 JKBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 9233409 ZDJYLOKTBKZZJC-YBFXNURJSA-N 457.870 5.415 5 40 JKBB COc1cc(Br)cc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@H]21 9311973 GHEDQIIDYIJEBV-NFBKMPQASA-N 480.318 5.608 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Sc1ncnc2ccccc12)c1ccccc1 9539636 WPXGFPRIQWSZAY-HXUWFJFHSA-N 450.907 5.664 5 40 JKBB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9589039 QMODTSBYGHXEJC-GFCCVEGCSA-N 498.615 5.493 5 40 JKBB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc3ccccc3c2=O)cc1 9662517 GUQNAMNUPWFQDU-OAHLLOKOSA-N 494.960 5.375 5 40 JKBB O=C(CSc1ccc(F)cc1)N(Cc1cccnc1)c1nc2ccc([N+](=O)[O-])cc2s1 10187730 QKIQKWTWSGZGBB-UHFFFAOYSA-N 454.508 5.064 5 40 JKBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Br)cc32)cc1 12485530 FQDGVFLBTVJYMH-UHFFFAOYSA-N 455.699 5.445 5 40 JKBB COc1ccccc1-n1c(SCC(=O)c2ccccc2Cl)nc2cc([N+](=O)[O-])ccc21 12560875 XAYSZVNHVPTEDE-UHFFFAOYSA-N 453.907 5.571 5 40 JKBB COc1ccc(NC(=O)COc2ccc(/C=C/c3nc4cc([N+](=O)[O-])ccc4s3)cc2OC)cc1 13112364 KIEVDCMTSJCZDB-UUILKARUSA-N 491.525 5.410 5 40 JKBB CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)cc1OCCC 13147951 VPCQOEYIJQUSRE-UHFFFAOYSA-N 480.586 6.884 5 40 JKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 14278685 UWZUZQLLPJPCPF-GORDUTHDSA-N 490.535 5.434 5 40 JKBB C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22079310 IHEODICRIVWWPL-INIZCTEOSA-N 476.499 5.845 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(Cl)c1Cl 24522177 LIDZCSHPPIWSAL-UHFFFAOYSA-N 474.299 7.564 5 40 JKBB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H](Nc1ccccn1)n1nnc2ccccc21 59488685 ZVPJMVXWLFLHHV-AREMUKBSSA-N 473.581 5.512 5 40 JKBB Cc1cccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)c1 409180689 YHEXLISVDRNDEP-UHFFFAOYSA-N 487.533 5.931 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409201858 OFYNVRURPVPERS-WSDLNYQXSA-N 496.928 6.077 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cccc(Cl)c2)c1C 2059288 GGOGTGUZBFNUAC-UHFFFAOYSA-N 487.921 5.299 5 40 JKBB O=[N+]([O-])c1cc([C@@H](O)Cc2ccc3ccccc3n2)ccc1[C@@H](O)Cc1ccc2ccccc2n1 3845190 NQCMQHOPGXXXNG-NSOVKSMOSA-N 465.509 5.243 5 40 JKBB biogenic Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccc(C(C)C)cc4)c3)CC2)cc1 6245031 PCXRVRYTQRQHPW-UHFFFAOYSA-N 472.589 5.601 5 40 JKBB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12)c1ccc([N+](=O)[O-])cc1 8722009 CNMMTTQRNMCVOQ-UHFFFAOYSA-N 481.291 6.157 5 40 JKBB COc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 8884158 LZRXYXDKJWLGON-UHFFFAOYSA-N 481.848 5.456 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 9064621 WZJTZPSSVZDZPH-UHFFFAOYSA-N 466.302 5.297 5 40 JKBB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nn1 9578241 DOMQBSZURYDFCU-UHFFFAOYSA-N 499.524 5.493 5 40 JKBB Cc1ccc(-c2nn(Cn3nc([N+](=O)[O-])cc3C)c(-c3ccc(C)c(C)c3)c2Br)cc1C 13960757 BKWSGOAMIYIZCU-UHFFFAOYSA-N 494.393 6.132 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1 32124905 YVWQBULSUWPIOY-XKZIYDEJSA-N 496.997 6.944 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 106724476 ZZCYTDQJHYJKML-JAIQZWGSSA-N 499.342 6.162 5 40 JKBB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224947436 AYJXPNQDLKAAKN-HNNXBMFYSA-N 498.432 5.078 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029716 HRQBTARWVOJQOQ-XZOQPEGZSA-N 464.547 5.174 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccccc1 408571005 MSCHETYUZNNNCF-HSZRJFAPSA-N 491.529 5.173 5 40 JKBB COCCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409126325 BPECMNJAZKFHFQ-HYARGMPZSA-N 464.499 5.010 5 40 JKBB Cc1ccc(OCc2nn(CC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(=S)o2)cc1 409171153 ZDNHXIGYFNGIDA-UHFFFAOYSA-N 497.558 5.072 5 40 JKBB O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccc(Cl)c([N+](=O)[O-])c1 2247896 BHXFCJQJLIRMSM-UHFFFAOYSA-N 470.876 5.272 5 40 JKBB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 8898478 GLJHKYPMWNIGDM-GOSISDBHSA-N 481.622 5.091 5 40 JKBB COc1ccc2c(Cl)c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)sc2c1Cl 9170494 PLXJSUGXCGDVGB-UHFFFAOYSA-N 470.286 5.348 5 40 JKBB Cc1[nH]nc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1-c1ccc(Br)cc1 9410793 AMCMZTFYBDVYLC-UHFFFAOYSA-N 480.318 6.007 5 40 JKBB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] 14275379 DYMODXPROMYAAA-UHFFFAOYSA-N 482.974 5.960 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 35123525 OICFMWBDNMEDPC-YQEITJDWSA-N 471.944 6.685 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)cc2[N+](=O)[O-])CC1 72230000 ZTQIMRHKENHXRS-VWLOTQADSA-N 479.964 5.819 5 40 JKBB CC(C)(C)[P@@](=Nc1ccc([N+](=O)[O-])cc1)(Nc1cccc(C(F)(F)F)c1)c1ccncc1 102908592 QBYXDZPEMPQMPU-YTTGMZPUSA-N 462.412 6.992 5 40 JKBB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224851231 MOGKZXPJEVSSFF-MRXNPFEDSA-N 492.403 5.310 5 40 JKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225670859 CIGOLKZJJOSZTQ-YWZLYKJASA-N 480.392 5.166 5 40 JKBB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1cccc([N+](=O)[O-])c1 408974364 YJSXOLSILHBYOY-XGICHPGQSA-N 453.690 6.114 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(C)c1 6195316 JNHABAZTTKSCRU-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 8836800 CKIZOFLAECRUSU-ZDUSSCGKSA-N 451.452 5.582 5 40 JKBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(OCc2ccccc2)cc1 8894088 MPEFEULZYKRLIZ-UHFFFAOYSA-N 490.566 5.424 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCN4CCCC[C@@H]4C)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9009834 GFZBGXXUGIRDSZ-SFHVURJKSA-N 467.569 5.536 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCCC[C@@H]4C)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9089916 PCNMKHYDYNAWHV-IBGZPJMESA-N 481.596 5.926 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 9884483 SLLNIIAZTXAQRB-UHFFFAOYSA-N 461.499 5.656 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 14278781 YFFFURNRXIESCW-PJQLUOCWSA-N 477.948 6.450 5 40 JKBB O=c1c2ccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)c3cccc(c32)c2nc3ccccc3n12 16478299 NTOGFCKPVHTJER-PMERELPUSA-N 490.566 6.948 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 16611163 FXPOVZKWPPQCCB-HNNXBMFYSA-N 474.542 6.043 5 40 JKBB CCO[P@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 16688041 SIAZUKNREOTDBD-JXNPFXPLSA-N 480.417 5.741 5 40 JKBB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16779773 MUJJHXMWKWXRLH-UHFFFAOYSA-N 493.541 5.133 5 40 JKBB C[C@@]12Oc3ccc([N+](=O)[O-])cc3[C@@H](NC(=S)N1c1ccccc1)[C@H]2C(=O)Nc1ccc(Cl)cc1 33690410 CZWNQUZJIGWXNY-IMSXRSKXSA-N 494.960 5.048 5 40 JKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C 108949331 MLGZIGICYFKXQB-QBFSEMIESA-N 465.506 5.601 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(CNc2ccccc2)cc1 409176142 ILEBPBMANZWBCG-UHFFFAOYSA-N 454.482 6.356 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(C=C(Br)c2ccccc2)cc1C=Cc1ccccc1 2049239204 IZUCMCYILUILLB-UHFFFAOYSA-N 451.276 6.566 5 40 JKBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)c1 2250810 KLQSSOMPCBOSMJ-UHFFFAOYSA-N 479.971 5.911 5 40 JKBB CCC(=O)Oc1cn(-c2cc(Cl)cc(Cl)c2)c2nc(CC)n3c4ccccc4nc3c12 9243110 UXIQNDGINRRAAP-UHFFFAOYSA-N 453.329 6.011 5 40 JKBB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 12559580 DPYIGPPAJVTPHT-NRFANRHFSA-N 494.479 5.728 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)Nc3ccc(Cl)cc3)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500047 DACOKQSUASPOJE-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB O=C1S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 59459839 DQMYMPSCZGJAIJ-JAIQZWGSSA-N 497.872 6.190 5 40 JKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccco1 102648389 HIPOUBMEQUKABJ-OLILMLBXSA-N 499.567 7.318 5 40 JKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3c4ccccc4cc4ccccc34)C2=O)cc1 102740839 JPCDTXWJEMQXSW-OIFRRMEBSA-N 484.555 6.353 5 40 JKBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223437298 DXFCVCLAKMRJCX-DQEYMECFSA-N 486.553 5.431 5 40 JKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1 408542726 KTAJMXNBCTVGHA-NTMALXAHSA-N 457.870 5.131 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1 408827039 KDLCWPSPDVIQQU-UHFFFAOYSA-N 491.572 7.156 5 40 JKBB Cc1ccc(NCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409174292 RCTBBUOUDXEWCY-UHFFFAOYSA-N 468.509 6.665 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 409196372 ZTJUNFYQAGHYNR-KOTFUQRNSA-N 474.856 5.212 5 40 JKBB O=C(C[C@H](c1ccccc1)C([C@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-])c1ccccc1 1723272 SBZQETAJBOAVFV-VSGBNLITSA-N 477.560 6.745 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232797 QRBYDMKZJZEZTC-LPYMAVHISA-N 480.929 6.064 5 40 JKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 9829788 XMRXWPQUVXGEAS-UHFFFAOYSA-N 460.849 5.378 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccccc2F)cc1 16449975 POWRMPJDIPYYLQ-UHFFFAOYSA-N 474.330 5.277 5 40 JKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 16691991 GMSSSIXGVVOJFS-UHFFFAOYSA-N 476.514 5.237 5 40 JKBB CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 44088039 RYURTHRVDIPHGR-UHFFFAOYSA-N 467.425 5.001 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1 225061213 KEOPTCXEUACTSF-IZZNHLLZSA-N 499.596 5.725 5 40 JKBB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225633095 KAVVUSRDVVJMID-OAHLLOKOSA-N 498.432 5.077 5 40 JKBB O=C(Nc1cccc(OC(=O)c2ccc(Oc3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 832267 NIWFZYKXLSFGKP-UHFFFAOYSA-N 454.438 5.859 5 40 JKBB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccccc1-2 8432174 ORLXUVZXOFCQPS-QHCPKHFHSA-N 489.557 6.492 5 40 JKBB O=C(CCCCCCCCCCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 12428901 BLENWKAYUTUOLZ-UHFFFAOYSA-N 470.526 5.981 5 40 JKBB biogenic CCOC(=O)c1sc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc1-c1ccccc1 14809658 BHLVLZHDDWLJHQ-UHFFFAOYSA-N 483.549 5.094 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 16195485 AIEZNWKGFKMDTE-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB COc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl 32126499 CEGSTOJNGSZFBI-UHFFFAOYSA-N 488.934 5.253 5 40 JKBB O=C1N[C@H](c2c3ccccc3cc3ccccc23)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 35569266 CYSSUWZIINLFDK-MZKRTTBSSA-N 470.472 5.158 5 40 JKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59559260 VTMJEPRRNBKIGW-UHFFFAOYSA-N 499.615 5.160 5 40 JKBB C[C@H]1Oc2ccccc2C=C1c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCCCC1 95473726 NJENGFWPCDENOP-MRXNPFEDSA-N 481.552 6.959 5 40 JKBB Cc1ccc(-c2ccc(C(=O)N3c4ccccc4Sc4ccc(Cl)cc43)o2)c([N+](=O)[O-])c1 226363309 HAMIYKSFEUUFSJ-UHFFFAOYSA-N 462.914 7.260 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)S2)cc1 408791051 VHOMFMBDZDTMRJ-RISWYLRJSA-N 491.569 5.344 5 40 JKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 409180724 ZIULCNRBVYGCKL-DEOSSOPVSA-N 466.877 5.134 5 40 JKBB COc1ccc(-c2cc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[nH]2)cc1COc1ccc(Cl)cc1 2086659 JOOCJIKJPUVWEM-UHFFFAOYSA-N 453.838 5.892 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 8818212 OBZVDUIVZZESDI-UHFFFAOYSA-N 464.518 5.181 5 40 JKBB COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060445 FXRGSFZDQVOLIL-VXKWHMMOSA-N 489.919 5.230 5 40 JKBB COC(=O)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 15978176 MKIJJPBNKCPPPY-UHFFFAOYSA-N 495.340 5.084 5 40 JKBB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20096433 LNTSZQNWYKYWGE-UHFFFAOYSA-N 458.474 5.351 5 40 JKBB O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[N+]1(Cc2ccccc2)CCCCC1 27666087 RHQAJJSYCWISQT-XXSZCZDYSA-N 460.682 6.095 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 44847294 LEHGPXLCKWLAQZ-UHFFFAOYSA-N 467.547 5.254 5 40 JKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)O)o1 408634205 SAPOLCVNRUYYNO-UNOMPAQXSA-N 498.904 5.315 5 40 JKBB Cc1nn(C(=O)c2ccccc2C(=O)c2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 947646 VEBVPEBNJYEDFK-UHFFFAOYSA-N 457.511 5.479 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccccc4[nH]3)cc1)C2=O 6446919 ZSYAVBHIMLYGDP-UHFFFAOYSA-N 488.459 5.170 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc(C)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9291634 UPWPBHKVOYEVMW-UHFFFAOYSA-N 454.574 6.573 5 40 JKBB C[C@H](c1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1-c1ccccc1)N1CCCCC1 9338644 QAJYUFLAQXVNKP-HXUWFJFHSA-N 496.636 6.366 5 40 JKBB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9790212 AUCSGMBXWCMUEZ-ZDUSSCGKSA-N 451.508 5.846 5 40 JKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccccc1-c1ccccc1 13134415 GEDNJNXZFDBXCZ-UHFFFAOYSA-N 460.562 6.434 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1cccc(C)c1 13616009 ZPDAARZJBBSGGY-UUYOSTAYSA-N 492.915 5.879 5 40 JKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14272065 ACVSIHNNYSBYTD-UHFFFAOYSA-N 458.543 6.032 5 40 JKBB O=C1N[C@H](c2c3ccccc3cc3ccccc23)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 102135388 CYSSUWZIINLFDK-MIZPHKNDSA-N 470.472 5.158 5 40 JKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225131400 CIUWKJJCXIWBKX-QFIPXVFZSA-N 471.985 5.047 5 40 JKBB O=C1CS[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N1c1ccc(Cl)cc1 408554983 GNRHLPRMPMCZHI-JOCHJYFZSA-N 475.353 6.259 5 40 JKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 408673962 WOYSAUBGGBLZQX-UHFFFAOYSA-N 453.454 5.892 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408809780 JBCKRLNSKZFUIZ-YVLHZVERSA-N 493.335 5.001 5 40 JKBB CCCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409051991 FQTYRGUYSBQFPE-UNOMPAQXSA-N 476.938 5.672 5 40 JKBB O=C1c2[nH]nc(-c3ccc(Br)cc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 843877 BYHUYKVNSGLLMD-QFIPXVFZSA-N 475.302 5.497 5 40 JKBB O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 2682653 SZCXXCSZMVMNFS-AWEZNQCLSA-N 457.528 5.440 5 40 JKBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9007930 IYQXIDMUFBFCBY-RUZDIDTESA-N 487.541 5.079 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccncc5)nc4c3)cc2[N+](=O)[O-])CC1 9192641 CYICUILUMRBQSQ-UHFFFAOYSA-N 457.490 5.287 5 40 JKBB COc1ccc(-c2c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3O)n[nH]c2C)cc1OC 9282554 PZJFLLAYJOBMLH-UHFFFAOYSA-N 461.474 5.262 5 40 JKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 13129561 NDQUMBDKEWLPHN-DLBZAZTESA-N 475.545 5.478 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 13940430 LBYINOQZSAXNKO-HRBYOKDJSA-N 471.944 6.685 5 40 JKBB C[C@H]1CCC[C@@H](n2c(=O)c3ccc4c(=O)n([C@H]5CCC[C@H](C)[C@H]5C)c(=O)c5ccc(c2=O)c3c45)[C@H]1C 36019147 AASLOMJBKLCZLF-KFPUCIBNSA-N 486.612 5.060 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1 44087356 BLHUOUWUDGRHCI-UHFFFAOYSA-N 499.379 6.485 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224322119 JLGWIBLGYKILSP-RPBOFIJWSA-N 470.554 6.044 5 40 JKBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Cl)ccc1OC 408674986 OESPNYZPFYRXBX-UHFFFAOYSA-N 467.334 5.164 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1 408991554 QIGXFQUPWYNXBF-DEOSSOPVSA-N 468.538 5.966 5 40 JKBB CCCN(CCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1568055 BCMHRHQLBDERSR-QFIPXVFZSA-N 458.351 7.474 5 40 JKBB COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9192538 BCRPTMMQWSPENN-HSZRJFAPSA-N 490.899 5.151 5 40 JKBB COc1cc(OC)cc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)c1 9243331 BYCPCBXBRKRSHP-UHFFFAOYSA-N 472.545 5.528 5 40 JKBB O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 12360457 MZGNERKNWZWNLC-UHFFFAOYSA-N 476.366 6.915 5 40 JKBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 12559671 KJKUYBGNIYPVRF-PXJZQJOASA-N 461.521 6.678 5 40 JKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)cc1 15979532 JXTZNZGYNPAVPE-UHFFFAOYSA-N 477.517 5.452 5 40 JKBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1[N+](=O)[O-] 408644857 TWGQXJGVWOYAAT-INIZCTEOSA-N 465.893 5.341 5 40 JKBB COc1ccc(-c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2-c2ccc([N+](=O)[O-])cc2)cc1 408832110 RDEPOSJOLDZRLR-UHFFFAOYSA-N 476.470 5.554 5 40 JKBB CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(F)cc3)c(=O)c2c1C 409111656 DRYOLHQORGEWHN-UHFFFAOYSA-N 469.563 6.048 5 40 JKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 1304050 KJEOSWIYNVKUED-UHFFFAOYSA-N 476.872 5.512 5 40 JKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 2150457 PWFGOIZYGIGUQG-HSZRJFAPSA-N 475.497 5.126 5 40 JKBB biogenic CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 4008753 MGQXZTPULFLQBQ-UHFFFAOYSA-N 482.514 5.560 5 40 JKBB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)c1 6924495 GSSATYCZRWMNQJ-UHFFFAOYSA-N 481.577 6.198 5 40 JKBB Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCC3 9087883 FMZBTVJCXYPTGR-UHFFFAOYSA-N 464.934 5.848 5 40 JKBB O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 13375911 GGRLOPSOAOKDFD-OAQYLSRUSA-N 450.292 5.349 5 40 JKBB CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509737 SBUZYJGJUJFRBP-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183592 CXTABCZCUNUQEK-UHFFFAOYSA-N 459.303 6.220 5 40 JKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20610589 HEQHMHKTGDBKMT-UHFFFAOYSA-N 470.533 5.305 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl 22712273 WRWRSWGFVFGUSH-RMKNXTFCSA-N 476.341 5.996 5 40 JKBB Cc1ccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl 103764526 KGKGVLITHHMVCX-QHCPKHFHSA-N 468.340 6.602 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl 409053999 LIKNKVYNHRBFMG-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2-c2nc(O)c3ccccc3n2)c([N+](=O)[O-])c1 409261835 DKRHBWUPCDVPSX-UHFFFAOYSA-N 483.234 5.374 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1Br 820943 OWLNADBIIXXLIP-UHFFFAOYSA-N 466.291 6.035 5 40 JKBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 1898524 YDJCNONFSZTGQI-UHFFFAOYSA-N 466.519 5.110 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)cc1 2247593 KRECBRAYSJAZDZ-UHFFFAOYSA-N 459.553 5.511 5 40 JKBB CC(=O)N(c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1)c1ccc(F)cc1F 12815526 FPZAKPRTBCBJML-XVNBXDOJSA-N 458.471 5.794 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc(-c2nc3ccccc3s2)c1O 14275101 BTJSFQCMEIGMMT-UHFFFAOYSA-N 478.555 5.321 5 40 JKBB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] 32112067 NSSLDXDVSPXKFU-UHFFFAOYSA-N 487.899 6.536 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)cc1C 57313904 LVOXNYOLLOGDCD-UHFFFAOYSA-N 477.929 7.140 5 40 JKBB CCOc1cc(/C=C/C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1OC 408604075 SELGKWXOXALVIH-PJQLUOCWSA-N 450.516 5.805 5 40 JKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1Cl 408695402 QKHRTKMPZLMAIG-UHFFFAOYSA-N 468.300 5.710 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 409183886 UOZPIKVVQOPSNF-UHFFFAOYSA-N 473.235 5.415 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 409188609 FMGSCQJLOYASFS-JTHDKOFASA-N 474.856 5.212 5 40 JKBB COc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409205663 JEMNFARGQZZRNS-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3164402 DHPIXAYBGOYYSP-UHFFFAOYSA-N 467.890 6.100 5 40 JKBB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] 8831896 CHZIKMLIWBUBKE-UHFFFAOYSA-N 472.284 6.361 5 40 JKBB CCC(C)(C)c1ccc(OCCCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C(C)(C)CC)c1 9850727 GEURJFWBBSAZFH-UHFFFAOYSA-N 465.594 7.032 5 40 JKBB COc1cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc(OC)c1OC 10120220 QNEBATJZDLFBIC-UHFFFAOYSA-N 483.864 5.335 5 40 JKBB CC(C)(C)OC(=O)NCCCCCC(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 13576363 VHCGCBUJDRLUNN-UHFFFAOYSA-N 475.925 5.296 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223403408 IVBFWPNYAXUHGV-DQEYMECFSA-N 486.553 5.431 5 40 JKBB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408805171 JCZIUGCHLZKERM-UHFFFAOYSA-N 450.471 5.076 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1[N+](=O)[O-] 3286121 SBADQDATIJTZKK-UHFFFAOYSA-N 493.976 5.594 5 40 JKBB COc1ccc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1[N+](=O)[O-] 3290479 BUOCJSCXAQLNEI-FQEVSTJZSA-N 475.284 5.447 5 40 JKBB C[C@@H](Sc1nnc(C2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177393 XRZAOABUIRWUJX-MRXNPFEDSA-N 451.552 5.343 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 9259478 OSSOUHNHGCDXTB-LPYMAVHISA-N 464.474 5.549 5 40 JKBB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1 9720308 YMMMTCIBVWEQPK-UHFFFAOYSA-N 472.589 5.467 5 40 JKBB Cc1ccc2oc(=O)c3c(-c4ccc(C(C)(C)C)cc4)nc4c(sc5nc(C)cc(C)c54)c3c2c1 11865380 FJZNHCGZUIRXAK-UHFFFAOYSA-N 478.617 7.994 5 40 JKBB biogenic CC1(C)C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 12500018 DDZCMMMLWZRBQM-UUOWRZLLSA-N 498.540 5.031 5 40 JKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277639 INYBIZRROQDOIH-UHFFFAOYSA-N 474.542 5.269 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 14278260 XEYCVQJLDBVOGF-UHFFFAOYSA-N 478.291 7.115 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)c([N+](=O)[O-])c1 20610954 UIKVUQAFRYVFKJ-UHFFFAOYSA-N 469.457 5.158 5 40 JKBB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 20970179 KMWDXCOAKYKNGV-XMMPIXPASA-N 453.502 5.435 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 22562642 QFMJVPUXXNHCPJ-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB CCN(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1)c1ccc(OC)nc1 48302799 SPLAGUZANIAPAG-UHFFFAOYSA-N 457.870 5.119 5 40 JKBB CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)[C@H]5CCCC[C@H]5N4)cc3[N+](=O)[O-])sc2c1 59488082 JLCWXXGKLDNDHR-MRUHUIDDSA-N 484.603 5.031 5 40 JKBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Cl)cc1Cl 98087108 JJKLWCDWCCZCKC-UHFFFAOYSA-N 466.074 5.618 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224412069 XJNYBLAIYLFYDM-GOTSBHOMSA-N 460.490 5.566 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363969 GJJAQWRZRWQRTO-SDNWHVSQSA-N 474.925 7.351 5 40 JKBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2067600 UVDYHISLYOZULO-UHFFFAOYSA-N 471.450 5.608 5 40 JKBB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O 2666286 WIURKYDKMHLYHH-UHFFFAOYSA-N 471.387 5.975 5 40 JKBB biogenic O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c([N+](=O)[O-])c1 2774633 YZPRQCMEEYNHAZ-UHFFFAOYSA-N 472.862 5.347 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H](c1ccccc1Cl)N1C(=N2)C(O)=Nc2ccccc21 3309899 CRHAHMGIEIXOSH-JOCHJYFZSA-N 484.903 5.984 5 40 JKBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(CC)nc32)cc1 6150825 POUPJFKRDJWHCZ-UHFFFAOYSA-N 483.572 5.069 5 40 JKBB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC 8835622 QCJSWJYQDJRJCF-UHFFFAOYSA-N 496.545 5.119 5 40 JKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 16545478 BMZNPVKQOGFGEN-UHFFFAOYSA-N 465.600 6.511 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(Cl)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1 20611002 SLUVEIVPVVLPDT-UHFFFAOYSA-N 487.903 6.111 5 40 JKBB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611832 UKSWTGAPIYTDQQ-RMKNXTFCSA-N 488.327 5.650 5 40 JKBB COc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccc(Cl)cc3c2=O)c1 101361307 OXLRCXPYJUOBED-UHFFFAOYSA-N 450.834 5.283 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)o2)c([N+](=O)[O-])c1 214627758 IVIGGIDPMDHZRH-CIAFOILYSA-N 450.472 5.408 5 40 JKBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cc([N+](=O)[O-])ccc1Cl 408576421 UPOQZOIFFVYFSK-UHFFFAOYSA-N 481.917 5.455 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 408696279 ZETFKGWKLMYJPM-UHFFFAOYSA-N 488.718 6.055 5 40 JKBB COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408724746 AIYZLBWDFQJGQR-MTJSOVHGSA-N 493.453 5.545 5 40 JKBB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])o1 409019995 YOCPFGFGUIRXSJ-JTQLQIEISA-N 469.306 5.155 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409180128 VYATYFBUDLSNAD-SANMLTNESA-N 498.447 6.076 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 3666208 DASWWMMGKRMVSI-UHFFFAOYSA-N 470.325 6.677 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 9064614 BWPSADJFSNQVGQ-UHFFFAOYSA-N 460.309 5.053 5 40 JKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ncccc3o2)c1O 9423786 OCTGKQQJYKOYPF-UHFFFAOYSA-N 458.474 5.263 5 40 JKBB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccc([N+](=O)[O-])cc1Cl 13425246 XJLFXFLVTVAZBO-UHFFFAOYSA-N 468.844 5.455 5 40 JKBB CCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1OC 13557461 RWRRDSTZKOLCEM-DEOSSOPVSA-N 482.492 5.400 5 40 JKBB Cc1ccnn1[C@H](C)c1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13643780 HZTFUSSSVXUUEB-CYBMUJFWSA-N 461.501 5.606 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 95946749 SWTNRWVKVVHCTI-MCQIBVHSSA-N 479.583 5.920 5 40 JKBB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101639473 RVAZCUKDGZDMPQ-HHHXNRCGSA-N 499.567 7.303 5 40 JKBB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C 898910 OOPYBSLCDAZIRL-CLOONOSVSA-N 457.530 5.908 5 40 JKBB CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 2349809 NNSROCFMUZBMAR-QFIPXVFZSA-N 483.505 5.623 5 40 JKBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1CCc1ccccc1 2703542 PICPLJWGSBUBRH-JOCHJYFZSA-N 460.873 5.143 5 40 JKBB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)cc1 8432365 NWLHIMDTHDUPOA-UHFFFAOYSA-N 452.514 5.081 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 9373933 YFSSEOXMXKAXIO-UHFFFAOYSA-N 460.837 5.165 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 9671293 XBVWNGOYWQPMOK-UHFFFAOYSA-N 495.948 5.235 5 40 JKBB Cc1nc(SC(F)F)[nH]c(=O)c1CCC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12 10037758 MRLPKPVLYVWULB-UHFFFAOYSA-N 493.539 5.227 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 11277714 JVXHHRSESVCFED-SSEXGKCCSA-N 495.506 5.645 5 40 JKBB CC(C)[C@H](NC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 13096918 GHPMANMAWGNLLU-QKKBWIMNSA-N 481.471 5.089 5 40 JKBB O=C(CCCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(F)cc1 13856560 UFLILFVYJJKZJV-UHFFFAOYSA-N 480.448 5.061 5 40 JKBB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc4ccccc4n3)s2)c([N+](=O)[O-])c1 14945354 CRKHAHHSGXYFKH-UHFFFAOYSA-N 451.533 5.009 5 40 JKBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Br)cc1 19927282 HQSGJECGNCIZKM-UHFFFAOYSA-N 481.759 5.264 5 40 JKBB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 101332154 DBJMYXKFKLTSQJ-UHFFFAOYSA-N 470.868 6.427 5 40 JKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 110396857 MKKKMOIXVLZJDJ-STZFKDTASA-N 485.993 5.560 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 408566717 GACRZKBBRNLKFM-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1781741 FNCVPMMSEQVPBH-SDNWHVSQSA-N 457.511 5.949 5 40 JKBB O=C(Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl 8456264 VKOCFDWXQTXVON-UHFFFAOYSA-N 455.269 6.583 5 40 JKBB O=C(c1ccccc1)c1ccc(SCCOc2ccc(Br)cc2)c([N+](=O)[O-])c1 12541682 JQMVYPICJYOUFI-UHFFFAOYSA-N 458.333 5.759 5 40 JKBB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccccc1[N+](=O)[O-] 13615688 PCTZPRMTYQXAFN-UHFFFAOYSA-N 472.682 6.071 5 40 JKBB CC(C)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3s2)C1 16837169 OUANQNPUODYUTE-UHFFFAOYSA-N 478.599 5.952 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 222238206 PXKSZLNWUBATKZ-STPMEKMUSA-N 462.505 5.327 5 40 JKBB CC(C)(C)c1ccc(OC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408977502 VVTKQSKTQPYVDZ-UHFFFAOYSA-N 458.521 6.396 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409196869 ZLUJSUODMBJWPL-WSDLNYQXSA-N 496.928 6.077 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409215679 DINHVRCQFIQMGJ-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12)Nc1ccccc1-c1ccccc1 12484975 RGKBWYMGGKPTSO-UHFFFAOYSA-N 497.623 7.848 5 40 JKBB O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 12640072 IZVLRBOWGKIPJJ-UHFFFAOYSA-N 473.960 6.779 5 40 JKBB O=C(OCc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 12961432 NGELKTKSYURWSD-UHFFFAOYSA-N 490.484 6.732 5 40 JKBB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 13016855 DAJSMMQPWAEXRI-UHFFFAOYSA-N 454.511 6.222 5 40 JKBB Cc1ccc(-c2cnnn2-c2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2)cc1[N+](=O)[O-] 69527669 HXUPZCOFMQAARI-UHFFFAOYSA-N 473.945 6.595 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 102773757 DCAZCKMMEAPQGQ-KALPRAJFSA-N 499.592 5.030 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1 214342781 MVVROZMDFHQTOF-RGVLZGJSSA-N 454.435 5.239 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1 224761846 LHQTXIFVRSNUAU-XZOQPEGZSA-N 473.583 5.646 5 40 JKBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224881535 WCYYSNPJBNAXBD-HNNXBMFYSA-N 498.432 5.078 5 40 JKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(Cl)cc3)cc2)cc1 408577080 YNWTZDREMVVKEY-DEOSSOPVSA-N 495.004 6.227 5 40 JKBB Cc1c(-c2ccc(Cl)c(Cl)c2)nn(Cn2cc([N+](=O)[O-])cn2)c1-c1ccc(Cl)c(Cl)c1 2733391 JQAOPBJBFKJLTH-UHFFFAOYSA-N 497.169 6.750 5 40 JKBB Cc1ccc([N+](=O)[O-])c(-c2ccccc2)c1/N=c1\ssc2c1-c1cccc(C)c1NC2(C)C 6443611 JUCQHCZQMKYKIU-RFBIWTDZSA-N 473.623 7.562 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 8894824 QSJWQCFXVFEWBQ-UHFFFAOYSA-N 496.552 5.226 5 40 JKBB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 9141235 HJQFMQNAOGCCTM-UHFFFAOYSA-N 483.912 5.366 5 40 JKBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCc1c(Cl)cccc1Cl 13062404 XYTUECNKCKTYQN-KRWDZBQOSA-N 459.713 5.053 5 40 JKBB COc1ccccc1N(C(=O)c1cc(C)ccc1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 13149203 UBXJLBCWUATTER-UHFFFAOYSA-N 459.527 6.322 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 13371475 LWTPGKXBXIGFAR-UHFFFAOYSA-N 456.252 5.113 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 16196307 PNJKABFVBXRGJY-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 106739148 YTKLVVIJZNOVOD-UHFFFAOYSA-N 465.531 6.499 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 215143529 GQAVVUFUSIZHJQ-KEBDBYFISA-N 472.881 6.192 5 40 JKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 408819217 YPVONXRATGWLNI-UHFFFAOYSA-N 470.914 5.588 5 40 JKBB O=C(Nc1cccc2ccccc12)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 843996 LGMWBQUULVFRIW-UHFFFAOYSA-N 477.476 6.513 5 40 JKBB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 2084829 VKYGWKODJZRGIL-UNOMPAQXSA-N 464.861 5.180 5 40 JKBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1cccc2ccccc12 3095318 GSSSWUNJZSJWHX-UHFFFAOYSA-N 450.438 5.054 5 40 JKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c3c(ccc4[nH]c5ccccc5c43)n2)cc1 9328664 RRPDFBIOHFXVDS-UHFFFAOYSA-N 460.449 7.020 5 40 JKBB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)c1 9526096 OVSOWAQMJYLPLX-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9635005 NLSLWSHRBDEFIK-UHFFFAOYSA-N 495.845 5.172 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(SCc3cccc(Br)c3)n2-c2ccccc2)cc1 9805881 HTMRVMIQZLMONX-UHFFFAOYSA-N 467.348 5.897 5 40 JKBB CC(C)CCC[C@@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13096862 RROVTFORQOMGKQ-OAHLLOKOSA-N 454.514 6.709 5 40 JKBB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 14269973 RRNANEIAYYHMIG-UHFFFAOYSA-N 450.303 5.597 5 40 JKBB CCc1n[nH]c(SCc2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)n1 20611430 IWEKMPQAJWVACK-UHFFFAOYSA-N 473.967 5.688 5 40 JKBB Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(F)cc2)n1 44087141 CXPZOOKWUZSYJP-UHFFFAOYSA-N 469.523 5.082 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] 214859453 UARRRISFHVRVGQ-KEBDBYFISA-N 489.336 6.707 5 40 JKBB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCCC3)cc2)CC1 225537003 YVLOHCNAKAFNBC-UHFFFAOYSA-N 465.594 5.546 5 40 JKBB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408804418 FTTNGMKRYMWRIT-UHFFFAOYSA-N 480.497 5.084 5 40 JKBB O=C(Nc1ccccc1F)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409086755 AZPNHJGCCQYNFA-UHFFFAOYSA-N 463.468 6.868 5 40 JKBB Cc1cccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc3ccccc3c2=O)c1C 3234925 ZBRXFMOHUAXIKX-UHFFFAOYSA-N 494.960 5.295 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902502 ZBULGJZGYXZCKB-JXMROGBWSA-N 498.333 5.106 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2cc3ccccc3o2)c1 9062468 CAKZSALATIALCS-UHFFFAOYSA-N 485.481 5.364 5 40 JKBB CCOc1ccc2nc(N(Cc3ccncc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 10254300 QZQQBHKGGCEALF-RMKNXTFCSA-N 460.515 5.245 5 40 JKBB O=C(Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21)c1ccccc1Cl 13943982 FJXMVWTVACWMRG-UHFFFAOYSA-N 483.358 7.262 5 40 JKBB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 20970357 OCHFBLMJRVBWNV-XMMPIXPASA-N 469.501 5.271 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)cc2[N+](=O)[O-])cc1 32124796 UYENPXZXBBIIOP-STZFKDTASA-N 497.598 5.103 5 40 JKBB O=[N+]([O-])c1ccc2o/c(=N\c3cccc(Br)c3)c(-c3nc4ccccc4[nH]3)cc2c1 100480610 DGAIJVYMNSJAGQ-GYHWCHFESA-N 461.275 5.879 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224222051 QMPFXEPEFLZJHZ-RPWUZVMVSA-N 456.527 5.735 5 40 JKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225352862 KKWJOPIUFCYVDR-UIOOFZCWSA-N 499.596 5.745 5 40 JKBB Cc1ccccc1OCC(=O)Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1 4016870 DSXFIQDMPLVBHF-UHFFFAOYSA-N 457.280 5.476 5 40 JKBB CCCCCCN(CCCCCC)CCC(=O)c1ccc2cc(Cl)c3ccccc3c2c1 5664757 XOUIYIAZTJFHQA-UHFFFAOYSA-N 452.082 8.682 5 40 JKBB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 12516350 VBHBWIAUVVGNQF-HNNXBMFYSA-N 479.562 5.165 5 40 JKBB CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509718 YOUHQHYGCYFALM-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 13510850 UVEFOPZRKZZFEY-UPCLLVRISA-N 474.473 5.036 5 40 JKBB COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)nc3ccccc32)cc1 15911846 SOLWLMXMNITFAA-HNNXBMFYSA-N 478.530 5.070 5 40 JKBB Cc1noc(C[C@H](CC(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] 19872774 MAKRSIOCKKZJMM-QHCPKHFHSA-N 456.498 6.070 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029671 HRQBTARWVOJQOQ-PKTZIBPZSA-N 464.547 5.174 5 40 JKBB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225506681 KDZQBTNBBXVTCS-HXUWFJFHSA-N 451.567 5.299 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)c1 408565236 BKSRCURFGSTAMN-DEOSSOPVSA-N 460.559 5.573 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408569357 VVVAEURPYQOLKK-DVKBMCPXSA-N 498.366 5.094 5 40 JKBB COc1c(C)cc(C(c2cc(C)c(OC)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 3043669 QIGLLZZVDLKJJR-UHFFFAOYSA-N 463.701 5.639 5 40 JKBB CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 6074025 SPVVKABHUIDWRR-HHHXNRCGSA-N 454.482 5.122 5 40 JKBB O=C(O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nnc(-c2ccccc2Cl)o1 9562217 UZELFQBZIAYGNN-WOJGMQOQSA-N 469.862 5.776 5 40 JKBB CCc1nnc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)s1 12651695 BJSFZFCNCBOBSN-KAMYIIQDSA-N 451.533 5.188 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 14277951 NMVVYBXGGKOHIE-KRWDZBQOSA-N 481.508 7.429 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 19856307 YVRMBRAGKSUUCR-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB Cc1cc(=O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(O)o1 137761085 UYBWKWDHNCKTGM-IBGZPJMESA-N 476.432 5.939 5 40 JKBB O=C1S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)N1Cc1ccccc1[N+](=O)[O-] 409382989 SMEPXHJEHODNLG-BNCCVWRVSA-N 477.281 5.245 5 40 JKBB Cc1cc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)ccc1Br 2418809 LAFLDPQJOMMSNH-UHFFFAOYSA-N 476.378 5.401 5 40 JKBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccccc1Cl 3664917 SCOGRSGIVGUOHY-UHFFFAOYSA-N 455.948 6.403 5 40 JKBB CCCCOC(=O)c1ccc(-n2cc(OC(=O)CC)c3c2nc(CC)n2c4ccccc4nc32)cc1 9293530 SOEARFSTPPFKLI-UHFFFAOYSA-N 484.556 5.661 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2nc(-c3cccc([N+](=O)[O-])c3)nc2N1 9637997 GAMBKZFGMMJIQL-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3Cl)cnc2n1Cc1ccc([N+](=O)[O-])cc1 13500034 CXLTVRAGIWYQJS-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB COc1cc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3ccccc3c2=O)cc(OC)c1OC 101331316 CCOHJRCIYYMRCZ-UHFFFAOYSA-N 492.509 5.115 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccccc1 102723457 YAGSEIQCOXLKEW-DSITVLBTSA-N 497.532 5.374 5 40 JKBB Cn1/c(=N/C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)sc2ccccc21 103040179 UTPWLDDGDZTAGO-DQSJHHFOSA-N 486.597 5.348 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccccc1 106681241 DNAODWXCCLRTBJ-OYKKKHCWSA-N 469.522 5.834 5 40 JKBB CC1(C)C[C@H]2C[C@@]1(C)CN2c1ccc([N+](=O)[O-])cc1[C@H](Nc1ccccn1)n1nnc2ccccc21 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COc1ccccc1-n1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2cc([N+](=O)[O-])ccc21 12529617 RYSVZSROTIURPS-UHFFFAOYSA-N 478.530 5.065 5 40 JKBB COc1ccc(CCC(=O)N(c2cccc(OC)c2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 13149422 NIAIDCYWYDQMDD-UHFFFAOYSA-N 489.553 6.033 5 40 JKBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 24775090 VFFHLXMYZIFJAX-UHFFFAOYSA-N 454.939 5.885 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)cc2[N+](=O)[O-])cc1 32124921 YPVYQZKJIISXRJ-JAIQZWGSSA-N 486.571 5.290 5 40 JKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224847995 DBIPONLFWWUTRW-FQEVSTJZSA-N 480.392 5.024 5 40 JKBB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225537167 BPDWJOQDVRRTTC-NRFANRHFSA-N 465.594 5.689 5 40 JKBB CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409116244 IMZZTRMQXYQVLM-UHFFFAOYSA-N 479.627 6.525 5 40 JKBB Cc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1Cl 1847003 GKIMHMJWCMGWOY-UHFFFAOYSA-N 453.881 7.219 5 40 JKBB CCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccccc1-2 2059784 FJQUJEWTESLYQV-JOCHJYFZSA-N 475.530 6.102 5 40 JKBB CCC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc43)c2C1 8765756 QKSIJQJGBNDHSE-QGZVFWFLSA-N 492.597 6.836 5 40 JKBB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14276009 YFNNJJCRIBINMZ-UHFFFAOYSA-N 480.727 5.398 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 16450587 SMQZQZFXTXMBML-JXMROGBWSA-N 487.434 5.362 5 40 JKBB Cc1ccc(-c2ccc(/C=C/c3cc(C(=O)O)c4cc(Br)ccc4n3)o2)c([N+](=O)[O-])c1 28356106 QNPNJOMDZDKQJF-SNAWJCMRSA-N 479.286 6.343 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1 408567118 GNFXECWWQUXOLA-HSZRJFAPSA-N 482.512 5.543 5 40 JKBB COc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(C)cc2C)s1 408837201 ZXNRQHJHCFUBMQ-UHFFFAOYSA-N 459.527 6.263 5 40 JKBB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 862091 YGURTESJLYEKPP-UHFFFAOYSA-N 459.531 5.330 5 40 JKBB O=C(CN1CCCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 2030008 YCNJGKRHFIWGJC-UHFFFAOYSA-N 471.604 7.146 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccc(C(C)C)cc2)no1 2215301 AMEQNFVBSQJXDT-XMMPIXPASA-N 450.494 6.116 5 40 JKBB Cc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 2356754 ZWVZGYZNZPABHN-UHFFFAOYSA-N 451.490 5.828 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(C(=O)OC(C)C)c(C)oc2c2ccccc12 4013075 UVTMOVKNVCAGDB-UHFFFAOYSA-N 482.514 5.477 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 8833307 BSHHSZSDHIODHW-ZZXKWVIFSA-N 480.304 5.827 5 40 JKBB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc3ccccc3c2=O)cc1 9662516 GUQNAMNUPWFQDU-HNNXBMFYSA-N 494.960 5.375 5 40 JKBB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1S[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 12546326 LRQUXOZHBIJVPF-QGZVFWFLSA-N 492.988 6.529 5 40 JKBB O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 24522847 GOQPFORNQBFXPK-UHFFFAOYSA-N 483.911 6.466 5 40 JKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 101930810 GDTISWHJGTWRDK-NHNLOJCESA-N 493.951 5.566 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224620412 JCAIRPQIFBVVFP-BJKOFHAPSA-N 488.525 5.141 5 40 JKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1O[C@H](C)CC 225677198 ULBRXNPXSRHXNI-QGZVFWFLSA-N 454.523 5.399 5 40 JKBB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409109360 CCGHJAWJSIASHG-UHFFFAOYSA-N 490.943 7.240 5 40 JKBB COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2-c2nc3ccccc3s2)cc(OC)c1OC 947130 VGUZJTIVDYTYFT-UHFFFAOYSA-N 465.487 5.150 5 40 JKBB CCc1cccc2c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nc(-c3ccccc3)nc12 6860507 FOVLIEFWJQYWQY-UHFFFAOYSA-N 458.543 5.807 5 40 JKBB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1OC 9359239 GIZACVMZELPADB-GBXCKJPGSA-N 465.893 5.508 5 40 JKBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3ccccc3c2)c1 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O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1-c1cc(Cl)ccc1Cl 2239178 PGRWTBHTDJNBRG-UHFFFAOYSA-N 486.362 5.833 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9127611 VTRYPVFNZMCXQB-MRXNPFEDSA-N 487.541 5.242 5 40 JKBB Cc1cc2oc(=O)cc(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2cc1C(C)C 13525244 MTKFYAOSIRKCQD-UHFFFAOYSA-N 450.491 5.090 5 40 JKBB COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 16037207 QDIXKEGDBTYJGN-CPPMQADQSA-N 490.943 5.253 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 16689139 IUVCZSVATDRYDV-UHFFFAOYSA-N 490.387 6.081 5 40 JKBB Cc1cccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)c1 16712805 SNUYWONGUFUTRI-UHFFFAOYSA-N 490.567 5.631 5 40 JKBB O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1-c1cccc(Cl)c1 33477390 FYCWZEKPYUFUCK-UHFFFAOYSA-N 481.917 5.106 5 40 JKBB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C(=O)OCC)c1C 57315972 LBKLAQHUJCHZPA-ACCUITESSA-N 498.513 5.230 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223365039 DWSZQXMDQHVEHF-DHIUTWEWSA-N 476.514 5.024 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1 224218797 BLKGSFTYAPIOCW-RPBOFIJWSA-N 486.553 5.744 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Br)cc1 408561389 IRLPXXICQYNHSZ-LNVKXUELSA-N 474.380 5.601 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)c1 408565241 BLDDTZGMCXUHHH-DEOSSOPVSA-N 495.004 6.227 5 40 JKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])c3c[nH]c4ccccc34)cc2Br)cc1 408569098 IUUQXBRTCJFZMT-NRFANRHFSA-N 465.347 6.226 5 40 JKBB Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 409178541 MKMSRUFMIZBNMJ-NRFANRHFSA-N 454.822 5.246 5 40 JKBB O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 409182949 PHAMUNPNZBDLBU-AREMUKBSSA-N 480.476 5.628 5 40 JKBB CCOc1ccc(Oc2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc(Oc3cccc(C)c3)c2)cc1 799076 LWUYUJIOIUFKRZ-UHFFFAOYSA-N 489.488 5.117 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 907423 FQYRKTHQHBZSFY-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C 6471886 XPDXDRYYPOAONP-DWACAAAGSA-N 499.611 7.079 5 40 JKBB O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 9065326 NFJMJCYWTAPXDD-UHFFFAOYSA-N 479.828 5.187 5 40 JKBB O=C(Nc1cc2ccccc2cc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 9354572 PXANKZPYQMPYEX-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 9373328 GNWVESMLIYXTKH-UHFFFAOYSA-N 487.557 5.216 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 14920341 MUSCJXZNWNRCOK-XCIGCYOISA-N 470.549 9.486 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22757649 UMSGLXIGHNNFEE-UHFFFAOYSA-N 497.338 6.562 5 40 JKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 102641364 PJIDXJPELPNMDQ-MHZLTWQESA-N 485.540 7.057 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(F)cc1 102741965 KHIKRHXUAYKXPT-GVAUOCQISA-N 499.454 5.045 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C(C)(C)C)cc1 224526890 RGNRXUUPNIHXFP-UHFFFAOYSA-N 462.546 6.431 5 40 JKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225344066 RNQSOGQZPBVNGG-MHZLTWQESA-N 487.600 5.002 5 40 JKBB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409352583 ZXXAIGXFVAZHSH-UHFFFAOYSA-N 491.573 5.286 5 40 JKBB CC[C@@H](C)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2428941 HSGGXMMUCFOOLN-GOSISDBHSA-N 453.590 6.152 5 40 JKBB Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(Br)o2)c1Sc1ccccc1[N+](=O)[O-] 2718580 AGGQHFUXADBGKC-UHFFFAOYSA-N 480.340 5.581 5 40 JKBB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8833005 COCHYGUXVWADPI-UHFFFAOYSA-N 487.796 5.672 5 40 JKBB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 12532709 HXULQOLQFBDQOQ-UHFFFAOYSA-N 477.373 6.268 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4c5ccccc5cc5ccccc45)[C@@H]3C2=O)cc1 13759321 JPCDTXWJEMQXSW-DTXPUJKBSA-N 484.555 6.353 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 14272936 SXLQFVALJAJPRS-QPJJXVBHSA-N 451.693 6.775 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 24522190 DKIJVZNFHMTENK-UHFFFAOYSA-N 450.406 6.165 5 40 JKBB COc1ccc(NC(=O)c2nnc(CSc3nc4ccccc4c4nc5ccccc5n34)s2)cc1 25057743 NPYFWBYMVVHRQO-UHFFFAOYSA-N 498.593 5.440 5 40 JKBB COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408572138 QRLRIQWHWIXBMG-SFHVURJKSA-N 469.350 5.010 5 40 JKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)c(C)c3)cc2)cc1 408572668 RRPYVYSGKWPKDB-SANMLTNESA-N 488.613 6.190 5 40 JKBB Cc1cccc(CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)c1 408751260 YNEGWRJZJLBYJR-UHFFFAOYSA-N 479.539 5.756 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 1839224 MYORSIDTRVKEDO-NYUWMOHMSA-N 475.932 7.222 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 8450174 RXMDQFRLQSORPD-VWQFJMCTSA-N 467.518 5.252 5 40 JKBB biogenic FC(F)c1cc(-c2ccccc2)c2c(n1)sc1c2ncn2nc(Cn3cc(Cl)cn3)nc12 13643860 CRFBARUGALFUPY-UHFFFAOYSA-N 467.892 5.390 5 40 JKBB Cc1cccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)c1 13644185 LFSJUUYKGUORSF-UHFFFAOYSA-N 477.496 6.281 5 40 JKBB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 16044797 DODZCJGXLKYLIV-UHFFFAOYSA-N 495.988 6.278 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1ccccc1[N+](=O)[O-] 59474800 JWLCKEQPTKONIL-UHFFFAOYSA-N 470.576 5.454 5 40 JKBB O=C1N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1c1ccc(Cl)cc1 409172795 LMHVDYFTCSMFGB-BUVRLJJBSA-N 499.910 6.078 5 40 JKBB Cc1cc2nc3s/c(=C\c4c(C)n(Cc5ccc([N+](=O)[O-])cc5)c5ccccc45)c(=O)n3c2cc1C 409393948 TZKVMGLYGCJSDM-WGARJPEWSA-N 494.576 5.293 5 40 JKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@H](C(Cl)(Cl)Cl)O[C@@H]2C(Cl)(Cl)Cl 1615448 FHFYDARLLMBMPK-YUMQZZPRSA-N 460.868 5.020 5 40 JKBB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2cc1OCc1ccc([N+](=O)[O-])cc1 1840465 WQXQKFIMBHITDE-UHFFFAOYSA-N 472.522 6.428 5 40 JKBB biogenic CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(=O)OC)C1 2729576 QBNFUIRPHGCBFI-YHVDPYDOSA-N 456.564 5.636 5 40 JKBB O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8898651 WOXPAPDKHTUOKI-UHFFFAOYSA-N 490.741 5.233 5 40 JKBB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 9030728 VDHLIZLASWSTDE-UHFFFAOYSA-N 456.520 5.050 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 9057250 LBYINOQZSAXNKO-OVSDAQIJSA-N 471.944 6.685 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 208416963 SRHQCIXWRBQIHE-ZVHZXABRSA-N 468.490 5.820 5 40 JKBB O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CC1CCCCC1 409148203 XRLFNFXDELAMSU-ZVHZXABRSA-N 475.570 6.214 5 40 JKBB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 409196713 WHWNRSOQOQBQND-LCUIJRPUSA-N 479.945 5.732 5 40 JKBB COc1c2c(cc3c1[C@H](CC(=O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[N+](C)(C)CC3)OCO2 1280061 FALHEEPRKTYOPJ-JPYJTQIMSA-N 478.653 5.884 5 40 JKBB biogenic CCN(CC)CCNc1cc(C)nc2c1ccc1c2ccc2c(NCCN(CC)CC)cc(C)nc21 1574053 YDXDIPBVWWLCOL-UHFFFAOYSA-N 486.708 6.060 5 40 JKBB O=[N+]([O-])c1cc(Br)cc(-c2c(Br)cc([N+](=O)[O-])cc2Br)c1 1675951 QGVYARVYHWOZDW-UHFFFAOYSA-N 480.894 5.458 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1Cc1ccccc1Cl 2257998 FIWYMCGMKHQXEM-UHFFFAOYSA-N 451.917 5.044 5 40 JKBB O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CSc3ccccn3)nc3cc(Cl)c(Cl)cc32)cc1 3850489 CIUVOPDPJYQTBI-UHFFFAOYSA-N 495.369 5.176 5 40 JKBB biogenic Cc1nc(Nc2cccc(Br)c2)nc(Nc2cccc(Br)c2)c1[N+](=O)[O-] 4255914 VISFQEZYXHQGSK-UHFFFAOYSA-N 479.132 5.705 5 40 JKBB Cc1ccc(OP(=O)(Oc2ccc(C)cc2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 8434782 KNJRCWIZKSHPOC-UHFFFAOYSA-N 467.462 5.600 5 40 JKBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 9057821 AKFGZHPVTUVYMJ-UHFFFAOYSA-N 462.351 5.155 5 40 JKBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Cl)c1 9062485 CPVVIJDDLXUAPK-UHFFFAOYSA-N 479.905 5.271 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)cc(OC)c1 9209496 GMEPUQPKEOMWMD-UHFFFAOYSA-N 471.561 5.190 5 40 JKBB CCc1ccc(N(C(C)=O)c2nc(COC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cs2)cc1 11583455 CAUKVABWYVESKX-FMIVXFBMSA-N 451.504 5.055 5 40 JKBB Cc1cc2nc(/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2cc1C 16035427 ZJDLWCSDTMXTGJ-VMPITWQZSA-N 455.333 7.014 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224442860 WKBCHQSYNMXXBG-XZOQPEGZSA-N 459.506 5.097 5 40 JKBB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 224581010 ARGKCSMDZUYZMR-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1 224761886 LHQTXIFVRSNUAU-DHIUTWEWSA-N 473.583 5.646 5 40 JKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225036720 IMOCXMOAOPGTBM-VWLOTQADSA-N 497.661 5.393 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)c(Cl)c2)cc1 408554852 FXRNMOATBYUYBJ-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 408728958 WPKGZYCALNOXRW-HKDRDPIHSA-N 482.923 5.672 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 409002182 YSVDSLWKYYCREJ-FMYROPPKSA-N 482.967 7.298 5 40 JKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3nc(SCc4c(Cl)cccc4[N+](=O)[O-])sc3c1)[C@H]1C=C[C@H]2C1 409336114 MFAZHFCSHOHLOM-HIGYNYDNSA-N 497.985 5.462 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] 409389690 IJKVFRZGTZGMAV-UHFFFAOYSA-N 493.976 5.459 5 40 JKBB CCCCCCN(CCCCCC)[C@@H](C)[C@@H](O)c1cc(C)c2ccc3cc(C(C)C)ccc3c2c1 4416732 HYENTMFFSJYOKN-OOOSNSGVSA-N 475.761 9.309 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8590521 BLTLMACGEMMVBP-UHFFFAOYSA-N 459.845 6.569 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 9062386 AXSRENZNQPAZKV-UHFFFAOYSA-N 498.282 5.456 5 40 JKBB COc1ccc(-n2c(SCC(=O)c3ccc(C)c([N+](=O)[O-])c3)nnc2-c2ccccc2OC)cc1 9516726 QHTPFVJPACLYTJ-UHFFFAOYSA-N 490.541 5.143 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)cc2[N+](=O)[O-])CC1 20142654 UEBZXDBDPFQHPX-UHFFFAOYSA-N 469.925 5.489 5 40 JKBB CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 20671727 PTUJDQNVHLGOCR-IBGZPJMESA-N 473.558 5.361 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3n2)cc1 22710248 WXONXJJWJASXKA-UHFFFAOYSA-N 474.477 5.140 5 40 JKBB CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 27136764 YLAWVYMPUZQHNT-UHFFFAOYSA-N 470.312 7.086 5 40 JKBB O=[N+]([O-])c1ccc(/C=C\c2cccc(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 68563505 JUZPPVPZHHLCTG-XGXWUAJZSA-N 462.374 5.660 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 408572329 QXLGNGBIENKJQE-IBGZPJMESA-N 471.340 6.471 5 40 JKBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1[N+](=O)[O-] 408640003 HUSZCNXWQLZREM-IBGZPJMESA-N 459.502 5.304 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408916502 DOVMBNGHJAFUEU-LPYMAVHISA-N 464.474 5.549 5 40 JKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 409180999 XQKIJZHYQFQADW-LPYMAVHISA-N 491.525 5.401 5 40 JKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(CSc2ccc(Cl)cc2)cc1 3229836 GWCNJEGNSGDFPS-UHFFFAOYSA-N 455.948 6.403 5 40 JKBB O=c1[nH]c(CSc2nc3ccc([N+](=O)[O-])cc3s2)nc2scc(-c3ccccc3)c12 3376119 GJKQUQKIHDXKSS-UHFFFAOYSA-N 452.542 5.462 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1 6445697 HVZOOMUIOBSKEL-UHFFFAOYSA-N 499.162 6.844 5 40 JKBB Cc1ccc(NC(=O)OCc2ccccc2[N+](=O)[O-])cc1NC(=O)OCc1ccccc1[N+](=O)[O-] 16347556 GWGMGDHMJNFBEX-UHFFFAOYSA-N 480.433 5.309 5 40 JKBB CC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3s2)C1 16890377 LOTSZZDIFWHIEC-UHFFFAOYSA-N 478.555 5.090 5 40 JKBB O=c1c2cc3c(=O)n(C4CCCCCC4)ccc3nc2ccn1-c1nc(SCc2ccccc2)n[nH]1 40398953 FJSSPXKCQYMFIF-UHFFFAOYSA-N 498.612 5.006 5 40 JKBB Cc1nc(CN2CCN(c3ccc(C(=O)Nc4ccc5ccccc5c4)cc3[N+](=O)[O-])CC2)cs1 57322752 NABDNBCBTACINE-UHFFFAOYSA-N 487.585 5.087 5 40 JKBB O=[N+]([O-])c1ccc(N2CCC(CCCC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 59474634 OYJOQXTWLLBJOL-UHFFFAOYSA-N 452.555 5.806 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 408572331 QXLGNGBIENKJQE-LJQANCHMSA-N 471.340 6.471 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccccc1 408573159 SQWDRZXPPHDQGP-HSZRJFAPSA-N 480.977 5.918 5 40 JKBB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408603242 FGXJKTWTYAKUNM-OAQYLSRUSA-N 483.933 5.001 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408830255 NTLIRGLFMNZNET-UHFFFAOYSA-N 474.498 6.163 5 40 JKBB CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975048 JAFYABKFSKHDJW-UHFFFAOYSA-N 452.562 6.216 5 40 JKBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1-c1ccccc1 409124814 LWQQUMUFOZQMER-UHFFFAOYSA-N 487.537 5.096 5 40 JKBB Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409180369 RRYIYWAILMOUTO-UHFFFAOYSA-N 485.279 5.368 5 40 JKBB O=c1c2ccc(Cl)cc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1Cc1ccccc1 2618928 NPRZMJXMUJPJOK-UHFFFAOYSA-N 495.944 5.165 5 40 JKBB CC1=NN(c2ccccc2)[C@@]2(SC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)c2ccccc21 9046323 XLSSRPLBQGTYMQ-NDEPHWFRSA-N 491.576 6.565 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c3cc(C)ccc3n2)cc1 9583551 YGUWZAWDNRUSJP-UHFFFAOYSA-N 454.482 5.775 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)nc(SCc1nc3ccccc3s1)n2-c1cccc(C(F)(F)F)c1 12546516 ROYZNQYAPGLJJC-UHFFFAOYSA-N 486.500 6.855 5 40 JKBB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 12659828 YWLYECYNKHODRE-UHFFFAOYSA-N 469.910 5.044 5 40 JKBB Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c([N+](=O)[O-])c1 15277455 RVMLAYBUDJMBMD-UHFFFAOYSA-N 460.493 6.433 5 40 JKBB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1 16712814 CWEYTSLKMNOVCL-UHFFFAOYSA-N 490.567 5.631 5 40 JKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2csc(COc3ccc(F)cc3)n2)cc1 23077918 FBKIPNSGLJJCLU-UHFFFAOYSA-N 466.490 6.024 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])s3)C2=C(O)C1 103997922 QGHAWIVQEPTQIX-DEOSSOPVSA-N 473.554 6.763 5 40 JKBB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1 408658925 VGNCVYFHMOGWCZ-JXFKEZNVSA-N 492.915 5.083 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 409084448 CUZLTUFYGKYOIM-UHFFFAOYSA-N 460.412 6.152 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1C 409162656 GSMZWZJDXZXEAF-MFKUBSTISA-N 466.562 6.285 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1cccc2ccccc12 409269251 AESSEERSTGZWJR-OEAKJJBVSA-N 499.504 5.683 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)o1 409272214 MMPQUTGRMLGYMG-SRZZPIQSSA-N 498.900 5.436 5 40 JKBB COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 5486925 XGGDCOUBUFKJKG-SANMLTNESA-N 490.452 7.065 5 40 JKBB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 9065554 LRIMVJNICPELMY-UHFFFAOYSA-N 492.871 6.044 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1 16195733 VMRQNYXKPMPVQP-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@H](c3c[nH]c4ccc(COc5ccccc5)cc34)C(O)=C1N2 100134560 WGJXIOWPAXJFGE-XMMPIXPASA-N 454.442 5.652 5 40 JKBB in-vitro O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224474743 LEVQLGXVIFPSAQ-GOTSBHOMSA-N 475.961 5.611 5 40 JKBB Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C1=O 408537256 ZTIIUDOLLSYVDV-UHFFFAOYSA-N 495.539 5.010 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1c[nH]c2ccccc12 408565090 BDXYUZLZVINCDK-LJQANCHMSA-N 475.759 7.116 5 40 JKBB CC(=O)c1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408976191 QGXDZPISRJHQIO-UHFFFAOYSA-N 458.481 5.726 5 40 JKBB CCn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1-c1cccc([N+](=O)[O-])c1 409130979 MKERMAJUNRJEGA-UHFFFAOYSA-N 496.774 5.020 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)o2)c([N+](=O)[O-])cc1C 409180069 VEYDVAQAJTUFOX-NHDPSOOVSA-N 452.463 5.847 5 40 JKBB CCP1(CC)(CC)C[C@@H](c2ccccc2)N(c2ccccc2)N=C1c1ccc([N+](=O)[O-])cc1 409333204 NRHFWGUDNJSRLS-SANMLTNESA-N 461.546 7.131 5 40 JKBB O=c1c2c(-c3cccs3)csc2nc(Sc2ncccc2[N+](=O)[O-])n1Cc1ccco1 3418543 MQXAGCJOGYDUKH-UHFFFAOYSA-N 468.541 5.282 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N[C@H](C)c4ccccc4)nc2c31 8878793 WFVIHXRZQAIZES-MRXNPFEDSA-N 477.520 5.100 5 40 JKBB biogenic O=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl 9414237 ATXQSCZGSGUDEK-UHFFFAOYSA-N 453.813 5.638 5 40 JKBB Cc1cc(C)cc(N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c2nc3ccccc3s2)c1 13150460 RQVLJAHIUJOUFI-UHFFFAOYSA-N 469.526 5.986 5 40 JKBB Cc1c(O[C@@H](C)C(=S)N2CCN(c3ccccc3)CC2)ccc2c1oc(=S)c1ccccc12 13593214 UCGQHEWKHRUFFS-IBGZPJMESA-N 474.651 6.541 5 40 JKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14275474 HTFJNRCHSFFQJE-UHFFFAOYSA-N 499.508 5.493 5 40 JKBB O=c1c2ccccc2nc2c3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nn12 19832379 DIZXNXSQEHWHDC-UHFFFAOYSA-N 497.602 5.308 5 40 JKBB COc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 22079674 UWDHNCOZKSVBRK-UHFFFAOYSA-N 466.799 6.320 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)Nc1nccs1 44087621 RKCOCNMKDSCCAD-UHFFFAOYSA-N 471.951 5.288 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F 408571377 ONYLQQZHDSOLQA-IBGZPJMESA-N 454.885 5.957 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408757908 SBSHODVZFOGAHE-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Br 409176345 LBSYHHXZUPOKOV-NRFANRHFSA-N 454.276 5.447 5 40 JKBB COc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2338087 YEIFKNGZNQRDKS-UHFFFAOYSA-N 479.580 5.270 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(C(F)(F)F)c1 2592693 WTWPALXILWQNTF-UHFFFAOYSA-N 473.406 7.276 5 40 JKBB Cc1sc2nc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n(Cc3ccccc3)c(=O)c2c1C 2661254 AKCAZYHFCSERHS-UHFFFAOYSA-N 495.582 5.190 5 40 JKBB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 6284326 FFXQZBQFKIUGOH-UHFFFAOYSA-N 456.502 5.818 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)c(C)c1 14278579 BUEDKRUWPHNMOU-UHFFFAOYSA-N 488.548 5.053 5 40 JKBB CC(C)n1ncc2c(-c3ccc(-c4cccc(C(=O)O)c4)o3)c3oc4cc(O)ccc4c3nc21 96115616 HMQWFZPPNUMWTO-UHFFFAOYSA-N 453.454 6.242 5 40 JKBB biogenic Cc1ccc(-c2csc(-c3cc4cc(Cl)ccc4o/c3=N\Nc3ccc([N+](=O)[O-])cc3)n2)cc1 100135624 IGLMXTFRGQCLJA-OLFWJLLRSA-N 488.956 7.021 5 40 JKBB CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 106739123 STOYBSWWYAGPKG-NVMNQCDNSA-N 493.335 5.001 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224474571 CBHWADYYDBILOF-GOTSBHOMSA-N 475.961 5.611 5 40 JKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225726234 LBGZDRSCKVKESQ-YWZLYKJASA-N 480.392 5.166 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)cc1[N+](=O)[O-] 409155067 LKIUIGSIVHGLGX-CIAFOILYSA-N 491.525 5.455 5 40 JKBB C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2662224 PRCVBERYWRPZOG-OAHLLOKOSA-N 494.960 5.126 5 40 JKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc([N+](=O)[O-])cc4C)o2)N3)C1 8921693 UDXLITNQHGEUHW-FQEVSTJZSA-N 482.518 5.168 5 40 JKBB COc1cccc([C@H]2c3c(oc4ccc5ccccc5c4c3=O)C(=O)N2c2cc(C)on2)c1OC 9487126 CLDDLZOSJRQMGV-QHCPKHFHSA-N 468.465 5.010 5 40 JKBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 10042479 DNOMATYTXKRSOJ-UHFFFAOYSA-N 496.519 5.379 5 40 JKBB O=C(COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1cc(Cl)c(Cl)cc1Cl 32910839 XEOTXWZMGWLIJG-UHFFFAOYSA-N 494.718 5.825 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 214136623 LJNRYJKRZWKXMK-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB CCCCOc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 409003122 DQFMFDZTDJQOPI-JJIBRWJFSA-N 486.480 5.337 5 40 JKBB O=C1N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C(=O)N1c1cccc(Cl)c1 409063843 AIPLELXVGYEIEE-BUVRLJJBSA-N 499.910 6.078 5 40 JKBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 409171929 DWVCYQVTHCMNKP-UHFFFAOYSA-N 469.833 5.006 5 40 JKBB Cc1nn(-c2ccccc2)c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1[N+](=O)[O-] 8384853 GXGOTNFPRCVSBV-UHFFFAOYSA-N 450.391 5.767 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN([P@@](=O)(OCC(F)(F)F)Oc3ccc(Cl)cc3)CC2)cc1 8386561 FBKZPYMAROPPKT-WJOKGBTCSA-N 479.779 5.136 5 40 JKBB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)c(C)c1 8450964 DSIBMIVPWGNQBP-UHFFFAOYSA-N 466.541 5.389 5 40 JKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 8902984 QMHYXYQCDOHMAO-UHFFFAOYSA-N 486.528 5.615 5 40 JKBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 16682603 XGWLITKRTBMLBC-QFIPXVFZSA-N 485.327 5.804 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 22745044 IOTKFNIILVKFAG-UHFFFAOYSA-N 487.339 6.234 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl 98087004 KLQHYTWFFKCCSE-UUYOSTAYSA-N 498.919 6.203 5 40 JKBB CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl 408565892 DDCOOSUSVAFFGN-IBGZPJMESA-N 481.405 6.008 5 40 JKBB COc1ccc(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1 408751089 WHXNQWKGDBNWRF-UHFFFAOYSA-N 477.523 5.306 5 40 JKBB Cc1ccc(C)c(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 409178979 LVXUDMHICVEXBT-AREMUKBSSA-N 460.486 5.098 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)o1 409199979 GEEHLSCKJWRZHY-KGENOOAVSA-N 450.472 5.142 5 40 JKBB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2Cl)n1-c1ccc([N+](=O)[O-])cc1 3269385 VAFXMKVBJYGBAP-UHFFFAOYSA-N 458.326 5.893 5 40 JKBB O=C(COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 3355374 FKCBXFABLMBPJW-OAQYLSRUSA-N 462.527 5.097 5 40 JKBB CC[C@H](C(=O)N(c1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1 3534319 NRPRWCHQXKCTOK-QHCPKHFHSA-N 457.555 6.885 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(Cl)cc1 9235298 MQCUCDLOKNPOCC-GIDUJCDVSA-N 486.720 5.230 5 40 JKBB Cc1ccc(NS(=O)(=O)c2ccc(NCc3coc(-c4cccs4)n3)c([N+](=O)[O-])c2)c(C)c1 9647479 VEBTWQCIHFENPP-UHFFFAOYSA-N 484.559 5.341 5 40 JKBB O=C(CCCSc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1 10218151 IZJJNPLHHPTMSM-UHFFFAOYSA-N 482.562 5.844 5 40 JKBB Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 13130393 ORPTYXKQKDDBOU-QGZVFWFLSA-N 467.566 5.332 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)C1c2ccccc2Oc2ccccc21 24522319 BLTINWHZVVAYNT-UHFFFAOYSA-N 487.895 7.022 5 40 JKBB COc1cccc2c1O[C@@]1(C)C[C@H]2N(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)N1c1ccc(F)cc1 100034317 MGUQKXVPVKRBEM-NLFFAJNJSA-N 493.516 5.230 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223833180 ZNXIFLSHPMDYAI-JWQCQUIFSA-N 486.553 5.826 5 40 JKBB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)C1 225506595 PFCTYKAVBTUFBD-HXUWFJFHSA-N 451.567 5.156 5 40 JKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 408567602 GYBGJKBVLCMBEU-RUZDIDTESA-N 490.585 5.664 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 408580626 DHAIGZQXGJVHFX-UHFFFAOYSA-N 478.452 5.118 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408831951 HXBGJVCVHLNFMT-UHFFFAOYSA-N 484.364 7.253 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)N1Cc1ccccc1 409118554 OAYSSDZIRKLIPI-HHHXNRCGSA-N 467.500 6.095 5 40 JKBB O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409177421 AFZVDBWCHKMKRD-UHFFFAOYSA-N 473.506 5.238 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409180882 TWJCXCSQTBFPHZ-UHFFFAOYSA-N 473.781 5.214 5 40 JKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1c(Cl)cc(Cl)cc1Cl 856400 OFXXOFKKADYWCD-UHFFFAOYSA-N 459.698 5.336 5 40 JKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2284646 VPHSMBVSBNDMPP-UHFFFAOYSA-N 490.405 5.799 5 40 JKBB COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)c([N+](=O)[O-])c1 6136534 YQKYTMVIBYVVIT-UHFFFAOYSA-N 496.548 6.382 5 40 JKBB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2cccc(Cl)c2)c1 6442757 RFSMIFSROOPFIY-MRXNPFEDSA-N 493.976 5.924 5 40 JKBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 8901510 JKYXSWMJMQTTRT-UHFFFAOYSA-N 499.354 5.116 5 40 JKBB Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 8916116 PZXUCNAUNGSTEE-UHFFFAOYSA-N 477.542 5.205 5 40 JKBB CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 10041592 DSBLYMHQRRYQNB-UHFFFAOYSA-N 462.502 5.158 5 40 JKBB Cc1ccc(Sc2ncccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1C 12786022 DPETWCSEKZQRNU-UHFFFAOYSA-N 499.596 5.268 5 40 JKBB CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)c1 14361346 VYPLRSSEWNZSJO-UHFFFAOYSA-N 472.545 5.265 5 40 JKBB Cc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc(-c2nc3ncccc3o2)c1O 16269598 OMLTYBKAXPUVKN-UHFFFAOYSA-N 480.889 5.932 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccc(F)cc1 18167527 KHIKRHXUAYKXPT-DSNGMDLFSA-N 499.454 5.045 5 40 JKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(Cn6cc(Cl)cn6)cc5)nc34)c12 22821275 JGTQQDMXENCCPX-UHFFFAOYSA-N 499.909 5.780 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1C 32116610 LLPVTEMVONJULW-UHFFFAOYSA-N 466.291 6.035 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224213013 YUXDMLBJGPOVSN-RPWUZVMVSA-N 455.543 5.266 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 225053277 DXPUGKIXGVHQNC-FTJBHMTQSA-N 498.612 5.255 5 40 JKBB O=C(NCCSCc1ccc(Cl)cc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408927486 VZPNGNRYVXCCOM-HYARGMPZSA-N 487.408 6.492 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 409097054 MHDFNVRPFWIYOM-UHFFFAOYSA-N 477.855 6.061 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409361798 QUCLFPZPKCWDDD-JAIQZWGSSA-N 454.891 6.366 5 40 JKBB COc1ccc(NC(=O)c2sc(Nc3ccc(C)c(C)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 3243148 ATEOXXCWOKBPAF-UHFFFAOYSA-N 474.542 6.340 5 40 JKBB O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(NC(c3ccccc3)c3ccccc3)c([N+](=O)[O-])c2)c1 6446093 MDIZQXOKLDMQQE-UHFFFAOYSA-N 489.509 5.537 5 40 JKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c1 8832089 FFIPPYFWCJOGBX-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)o1 20151056 FTHPUDCKQDTVML-IZZDOVSWSA-N 478.888 6.221 5 40 JKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@@H](C)n5nc(C(F)F)cc5C)nc34)c12 22578959 FSZIXFVLTVMWAM-SECBINFHSA-N 467.427 5.266 5 40 JKBB O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1F 106697144 CSYRKDMWQSKPKQ-ODLFYWEKSA-N 451.435 5.158 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccccc1F)c1c[nH]c2ccccc12 408571334 OJYJYJWQMRKAAF-FQEVSTJZSA-N 469.310 6.057 5 40 JKBB Cc1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408736587 DAEFAPKAJNUXOG-HHHXNRCGSA-N 493.563 5.401 5 40 JKBB Cc1ccc(NC(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C 408977700 XRFKIQZSOPBMJF-UHFFFAOYSA-N 460.566 6.305 5 40 JKBB c1ccc(-c2ccc(-c3cnc4c(ccc5cc(-c6ccc(-c7ccccc7)cc6)cnc54)c3)cc2)cc1 1857795613 OWBSVQOUBMENBM-UHFFFAOYSA-N 484.602 9.451 5 40 JKBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 8449353 WKFVJEUYHNQGMM-GERBCZOESA-N 467.518 5.252 5 40 JKBB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 20610588 YRAKCKMSFHSATK-UHFFFAOYSA-N 484.560 5.695 5 40 JKBB O=[N+]([O-])c1ccc(Cn2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1 20636896 RWSWFOBTXRNKBF-UHFFFAOYSA-N 458.732 7.134 5 40 JKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)oc2cc1C 21578757 WBWIAMHVLSTHSF-UHFFFAOYSA-N 467.481 6.841 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)c1cc2ccccc2o1 32888515 SHHJSULONPRKRY-LJAQVGFWSA-N 458.517 5.807 5 40 JKBB CCCCC(=O)Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1OC 57315731 NBQOGSCVIFIAHR-UHFFFAOYSA-N 461.927 5.853 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 57315984 MMSCYPHNQILEIG-UHFFFAOYSA-N 456.974 5.727 5 40 JKBB O=C1/C(=C/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 102944469 XIYGMBVAYNMXRA-QGOAFFKASA-N 453.376 5.254 5 40 JKBB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 224790177 PNZXEEQEETUBCA-DNQXCXABSA-N 487.610 5.657 5 40 JKBB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408559656 AQXDATZUDYZYEW-NMWGTECJSA-N 470.765 6.154 5 40 JKBB O=C(O)/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1 408632704 HFMLBQRCEBHORR-UDWIEESQSA-N 483.958 6.494 5 40 JKBB Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1Cl 408695073 ONTUZZWFJODEDZ-UHFFFAOYSA-N 451.845 5.196 5 40 JKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1 409357572 JEEPPFHTSFQWAO-MFKUBSTISA-N 466.562 6.285 5 40 JKBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cc(C(F)(F)F)ccc1N1CCCCC1 3037887 CXFLPYPNADLTFR-GDWJVWIDSA-N 465.475 5.926 5 40 JKBB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c([N+](=O)[O-])c1 8430894 MOORDONXVHAXBZ-UHFFFAOYSA-N 459.458 5.088 5 40 JKBB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 10060360 GENXUDAKCMPIJL-DHIUTWEWSA-N 489.919 5.230 5 40 JKBB c1ccc(OCC[N+](CCOc2ccccc2)(CCOc2ccccc2)CCOc2ccccc2)cc1 12762149 SFBVZIUYDVLWLF-UHFFFAOYSA-N 498.643 6.119 5 40 JKBB CC(C)(C)c1ccc(OCc2ccc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 13098592 QHRPUBCAORVLBX-UHFFFAOYSA-N 487.512 5.878 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 13946338 KUPGVDGCHZVPFG-UHFFFAOYSA-N 495.278 6.617 5 40 JKBB Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1 32114554 WJCSNCWRRVEBEO-UHFFFAOYSA-N 459.458 5.228 5 40 JKBB COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)ccc1Cl 214997756 DLYOGKZCCSQXIH-RGVLZGJSSA-N 498.900 5.531 5 40 JKBB Cc1cccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c1 409023592 ZJEPCFYIHNTDIT-UHFFFAOYSA-N 459.505 7.038 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409200896 KDMBPEVFCCXIJS-UDWIEESQSA-N 497.916 6.075 5 40 JKBB CCOC(=O)COc1ccc(C2=C(c3ccccc3)C(C)(C)Oc3cc(OC)ccc32)cc1[N+](=O)[O-] 1607647 LTQCAOJNJYGMCR-UHFFFAOYSA-N 489.524 5.675 5 40 JKBB Cc1ccc(-c2nn(Cn3cc([N+](=O)[O-])cn3)c(-c3ccc(C)cc3)c2Br)cc1 13960720 AGPUTQNTAOSKTA-UHFFFAOYSA-N 452.312 5.207 5 40 JKBB CCCCc1ccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(CCCC)cc3)C2=O)cc1 100144171 NELLOWWVGCNFIB-LJAQVGFWSA-N 483.612 7.364 5 40 JKBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)cc3oc12 101375417 CWTXTJDQLLCPHB-CALCHBBNSA-N 481.545 5.197 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] 214138109 ZHMZWQGVRUTQKI-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215005660 YZPTZVSRILOUKZ-YBFXNURJSA-N 485.315 5.854 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634763 UCXBXUFXEZEOIZ-WQRHYEAKSA-N 468.878 5.511 5 40 JKBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cccc1[N+](=O)[O-] 408921916 LKLHYADKNMCPHE-UHFFFAOYSA-N 461.499 5.110 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 409054084 RBDBDUULSNFSOE-UHFFFAOYSA-N 475.545 7.074 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl 409178675 MQPILFJGQADGNE-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB CCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1c3c(sc12)CCCC3 6146628 GTNCPZMSUJLSNQ-UHFFFAOYSA-N 460.559 5.165 5 40 JKBB O=C1c2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)[nH]c3-c3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21 6446754 GVWZVFZRFYQDTA-UHFFFAOYSA-N 488.459 6.439 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13541085 LTUBORRLMJGHQI-HXFQDRMMSA-N 499.592 5.030 5 40 JKBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c(C)n1C[C@@H]1CCCO1 14359352 MDXGSLXTVZZZBX-FQEVSTJZSA-N 494.569 5.383 5 40 JKBB Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\C(=O)c2cccc([N+](=O)[O-])c2)c1C 17784334 ATYYMJNNPFSSOV-IZHYLOQSSA-N 474.498 5.380 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 21596073 ZIPPKNPPHPKYHS-FYWRMAATSA-N 493.523 6.111 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F 408558884 SWPOYLMTTAYPTQ-UHFFFAOYSA-N 461.287 5.696 5 40 JKBB O=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccccc1 9720698 JTNLIQFMYMDYSC-LSCVHKIXSA-N 461.282 6.403 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5o4)c3C)o2)c([N+](=O)[O-])c1 10035094 IFFRDROTCSPIIY-UHFFFAOYSA-N 453.454 6.532 5 40 JKBB Cc1c(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 15022723 SDHFEMLRZYMYMM-DQSJHHFOSA-N 497.580 5.203 5 40 JKBB COc1c(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc2ccccc2c1Br 22564820 OXWPHIZOGYJSIJ-UHFFFAOYSA-N 458.293 5.381 5 40 JKBB O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 59474817 WJYSTYUVDQNNGK-UHFFFAOYSA-N 492.582 5.507 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OCC(C)C 79194208 XLUJIQRKXCNFTR-UHFFFAOYSA-N 461.518 5.621 5 40 JKBB biogenic Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 408635328 ZIBXZFLEQUBNKZ-ODLFYWEKSA-N 483.889 6.084 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccccc2-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408992948 VEORBUCKELEDQJ-UHFFFAOYSA-N 461.543 6.210 5 40 JKBB COc1cc2c(cc1OC)C(O)=C(C=C1C=C[N+](Br)(Cc3ccccc3)C=C1)C2 504241239 ARZPJGKMMPYFNI-UHFFFAOYSA-O 453.356 5.823 5 40 JKBB COC(=O)c1c(C(=O)OC)c2ccc3ccc4cccnc4c3n2c1C(=O)c1ccc(Cl)cc1 638994 KJTDFNWYVBLLQR-UHFFFAOYSA-N 472.884 5.098 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccnc(-c3ccccc3)n2)cc1CS(=O)(=O)c1ccc(Cl)cc1 1382366 MVKOXGCXIDTDLK-UHFFFAOYSA-N 465.918 5.346 5 40 JKBB aggregator CCCC[C@H](CC)Cn1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 2352827 CZFVZDWEBHETND-NRFANRHFSA-N 476.665 7.204 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 13602141 RXMDQFRLQSORPD-PWAGRJGVSA-N 467.518 5.252 5 40 JKBB biogenic Cc1ccnn1[C@@H](C)c1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13643777 HZTFUSSSVXUUEB-ZDUSSCGKSA-N 461.501 5.606 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)c1cccc2ccccc12 39772146 RBVQNUYAPGIYEP-UHFFFAOYSA-N 495.520 5.771 5 40 JKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 107647649 CKLYRPQFSVGNSO-LJQANCHMSA-N 473.986 5.279 5 40 JKBB CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)[C@@H]5CCCC[C@H]5N4)cc3[N+](=O)[O-])sc2c1 253566837 JLCWXXGKLDNDHR-ZOCZFRKYSA-N 484.603 5.031 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(F)cc1 408565903 DDYZQGLAODNBEI-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB CCc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 409105977 LWTRFCMJHFNWCE-UHFFFAOYSA-N 471.464 5.970 5 40 JKBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)NC1CCCCC1 224679354 PEPZONNEAYRSPI-FQEVSTJZSA-N 483.634 5.003 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)c1 408572452 RFIKWMQFOJDMEN-DEOSSOPVSA-N 495.004 6.227 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)c1 408574037 ULNYRGHOFWLFQJ-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2cccc(F)c2)c(Br)c1)c1c[nH]c2ccccc12 408575060 VVXMUOQNVREOSZ-FQEVSTJZSA-N 469.310 6.057 5 40 JKBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 409218268 ZUPSYBYUSZGYPT-APSNUPSMSA-N 480.329 5.193 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2247151 OUYIOZADMSJWFO-UHFFFAOYSA-N 495.926 5.022 5 40 JKBB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122611 HNEJRBYQDVKWPX-UHFFFAOYSA-N 462.893 5.909 5 40 JKBB CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 10042561 XGRZRZBLTZBKIW-UHFFFAOYSA-N 462.502 5.158 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 12660192 GACHSPJQMAYJAO-UHFFFAOYSA-N 474.391 5.085 5 40 JKBB O=[N+]([O-])c1ccc2[nH]c(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)nc2c1 15973876 VSHULTONLHASHC-UHFFFAOYSA-N 469.524 6.749 5 40 JKBB aggregator O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 22027508 CODDEKTWTWDHQS-KRWDZBQOSA-N 451.788 5.421 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5nn(C)c(C(F)(F)F)c5Cl)nc34)c12 22709910 MYTZJKZCUCFBPZ-UHFFFAOYSA-N 473.818 5.206 5 40 JKBB COc1ccc(CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCC6)cc1 27344983 GJWMOADKLSUPPN-UHFFFAOYSA-N 495.633 6.344 5 40 JKBB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 33612947 MKMAYMKCFFPWHK-UHFFFAOYSA-N 462.915 5.064 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccc(C)cc4)CCC[C@H]3[C@H]2c2ccc(C)cc2)n1 97437076 JUQKZCJFATZVTA-RLANVGCZSA-N 483.572 5.865 5 40 JKBB COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408603884 DIVSTSWCEQZVAY-UHFFFAOYSA-N 491.769 6.519 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408604030 CUOLQCDOMGDJOM-UHFFFAOYSA-N 457.870 5.746 5 40 JKBB Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 408736955 KDVXMAOULGQLEU-HHHXNRCGSA-N 493.563 5.401 5 40 JKBB O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc2cccnc12 409178806 OVLIYDNCHNBWLU-UHFFFAOYSA-N 471.469 5.397 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1ccccc1[N+](=O)[O-] 409261557 CZVFHUIJAUSUGB-UHFFFAOYSA-N 463.515 5.439 5 40 JKBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2335935 NAKUREAFUFPLMX-UHFFFAOYSA-N 463.516 5.033 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769688 QYUUUHFZJKDOGH-LPYMAVHISA-N 464.474 5.549 5 40 JKBB CCOc1cc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8442406 HGDJUDSTHCUHSR-QFIPXVFZSA-N 493.541 5.007 5 40 JKBB Cc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(C)cc3)c2Br)cc1 13960665 WNNIRWIEDVOUPF-UHFFFAOYSA-N 452.312 5.207 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)c(C)c1 14272814 KBLNGIZQAPFVJG-UHFFFAOYSA-N 458.522 5.044 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 16611160 FXPOVZKWPPQCCB-OAHLLOKOSA-N 474.542 6.043 5 40 JKBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 16977023 SEZJVFXBGJMHCA-UHFFFAOYSA-N 481.921 5.396 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19928730 CHHUTFBGGDBFCW-UHFFFAOYSA-N 459.698 5.336 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(=O)O)c(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 20150996 DZWHGZLVIAWOQN-QPJJXVBHSA-N 461.257 5.820 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 22710570 AVKGYMPNQKEBPG-HNNXBMFYSA-N 474.542 6.043 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc12 209534835 PVDXIMJHSHUFCZ-OEAKJJBVSA-N 456.479 6.245 5 40 JKBB COc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1 408823537 DWRJYLLZPAGZFN-UHFFFAOYSA-N 465.918 6.300 5 40 JKBB Cc1cccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)c1 409131452 JCBAAKRLXHOWMA-MUUNZHRXSA-N 463.537 6.265 5 40 JKBB CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2212956 YHWJLUODTSRMQG-QHCPKHFHSA-N 497.532 6.184 5 40 JKBB COc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924902 ASMJJGWILQAWPE-QFIPXVFZSA-N 480.318 5.357 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 8831994 HIQHTYPHLOTMRR-KPKJPENVSA-N 457.486 6.187 5 40 JKBB COc1ccc(-n2c(-c3ccc(Br)cc3)cn3c4ccc5ccccc5c4nc23)cc1 9309412 PZXOQNFYPWJEQB-UHFFFAOYSA-N 468.354 6.870 5 40 JKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2c1 16348536 MDIIFRMTTSDKKD-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)CC2)cc1 20529047 XUVKXPKXKNOGAZ-UHFFFAOYSA-N 492.963 5.025 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 22746522 VUIRMWBIDPDKLJ-UHFFFAOYSA-N 488.573 5.107 5 40 JKBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225595972 GVUCDAOFMUZIOB-OAHLLOKOSA-N 498.432 5.077 5 40 JKBB CC(C)(C)c1ccc(OC[C@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)c(C(C)(C)C)c1 226070979 KHQSMDRPTKWXMB-AREMUKBSSA-N 470.693 6.751 5 40 JKBB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408635040 XCNKEIRYSUCGRI-XKZIYDEJSA-N 478.482 5.541 5 40 JKBB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 408652918 IOKXMYPOVVZCSB-JUJAOGAQSA-N 479.319 5.001 5 40 JKBB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408751000 VFCVHIPYESGCQO-IAGOWNOFSA-N 453.545 5.176 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 409011634 GQSNSGRJRRFZQB-UHFFFAOYSA-N 497.360 5.335 5 40 JKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1C 409206743 WXYZZYWXGNKQLP-RFBIWTDZSA-N 477.973 6.340 5 40 JKBB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2110717 JZGAOVHFAJWDRV-UHFFFAOYSA-N 466.559 6.358 5 40 JKBB O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(COc2ccc3c(c2)OCO3)o1 2781683 BVYBLRITCIKDJR-UHFFFAOYSA-N 491.481 5.294 5 40 JKBB Cc1ccc(-c2csc3nc4c5ccccc5c(Sc5ccccc5)nn4c(=O)c23)cc1C 3267724 WYPSGGZDGXRDOG-UHFFFAOYSA-N 465.603 6.892 5 40 JKBB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 8835227 TWEHFRHKEWFKGC-QHHAFSJGSA-N 475.151 5.191 5 40 JKBB C[C@@H](Nc1cc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1 9720470 BUWNINVOIAVDKJ-CBHXRGPZSA-N 490.991 5.783 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 10058989 YCDZDIQXEWXQDV-ASSNKEHSSA-N 451.548 6.496 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 16450597 IROAYULUEFHVKG-SDNWHVSQSA-N 499.910 6.892 5 40 JKBB COc1ccc(/C=C\c2cc(/C=C/c3ccc(OC)c(O)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O 16926265 DDOVAKHEWGAJHA-KYPMKJFLSA-N 464.430 5.272 5 40 JKBB Cc1ccc(Oc2cc(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 36611136 DRXFJJLIKDSIJN-UHFFFAOYSA-N 497.433 5.887 5 40 JKBB O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1Cc1ccccc1Cl 40398710 YMNJOWZXBDMWIW-UHFFFAOYSA-N 482.754 5.709 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 51330320 OWUKMJKXBCOKNP-MHCOWZRKSA-N 454.486 6.304 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(F)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(C)cc2)cc1 112255957 OKEUZTATKBVDKH-TUJIQRHUSA-N 494.522 5.774 5 40 JKBB OCCN(C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)C1=CCCC=C1 409331989 GBKZONREKUVHIH-UHFFFAOYSA-N 478.581 5.104 5 40 JKBB CC(C)c1nc2sc3c(ncn4c(SCC(=O)c5ccccc5)nnc34)c2c2c1CCCC2 1297908 VKUVVZTUUVUOIC-UHFFFAOYSA-N 473.627 5.864 5 40 JKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 4014455 ODNHSUSFTGQQHG-UHFFFAOYSA-N 461.261 5.674 5 40 JKBB c1ccc(Sc2ccc(-c3cc(-c4ccc5ccccc5n4)nc4ccc5ccccc5c34)cc2)cc1 8964975 UOHNYBRCSKFWHY-UHFFFAOYSA-N 490.631 9.421 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)sc2Nc2ccc(Cl)cc2)cc1 16493384 GLNRPNRMWWWTIP-UHFFFAOYSA-N 453.976 7.408 5 40 JKBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 35855301 LTUBORRLMJGHQI-QUIZSENMSA-N 499.592 5.030 5 40 JKBB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 62566664 JWTXBSSDXDJHTE-UHFFFAOYSA-N 485.466 5.151 5 40 JKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225161045 VVYIZVGLJZZYTR-QFIPXVFZSA-N 471.985 5.047 5 40 JKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)cc1 408560612 DPZVJZROOGXLSI-ATJXCDBQSA-N 450.347 5.755 5 40 JKBB CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409009328 DGWPTFXEURSRRP-XBTXGSBDSA-N 451.298 5.452 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 409176540 QKMXEQSCMXMVBW-UHFFFAOYSA-N 493.475 6.461 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1[N+](=O)[O-] 871597 OPUIDKILAPUACF-KWUUDPFMSA-N 462.505 5.327 5 40 JKBB CC(C)(C)c1ccc2c(c1)O[C@](NC(=O)c1cccc([N+](=O)[O-])c1)(C(Cl)(Cl)Cl)O2 1050524 ONWCELFWZIOOJG-IBGZPJMESA-N 459.713 5.118 5 40 JKBB O=C(Nc1ccc(Cl)c(Cl)c1)C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 3206828 SETLTTQKSBNTDZ-FOWTUZBSSA-N 474.344 5.304 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(SCc3cccc(Br)c3)n2Cc2ccccc2)cc1 9833674 DLJUWFMDFKKBJJ-UHFFFAOYSA-N 481.375 5.956 5 40 JKBB COc1ccc(-c2nsc3c(S[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C)ncnc23)cc1 13510951 KBCBBLNRBUYWNW-CYBMUJFWSA-N 481.559 5.098 5 40 JKBB O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16399977 XGCAWWDEPMMCOQ-UHFFFAOYSA-N 485.481 5.185 5 40 JKBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 20151013 MQPHULFJAQNSLD-KPKJPENVSA-N 474.469 5.576 5 40 JKBB O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 59474794 SAQJCBBSRNPZOE-UHFFFAOYSA-N 492.582 5.507 5 40 JKBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224552488 ILJUWMAOWNVLKS-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB COc1ccc(C[N+](C)(C)C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 226071071 LMAANUVSXYHNCW-GNNRUUDYSA-N 450.643 5.179 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)c(C)c1 408562507 QKJJKFCLCKGFCO-BZZOAKBMSA-N 457.983 6.109 5 40 JKBB CCc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409116729 LZXQQEROHTUPDM-UHFFFAOYSA-N 471.351 6.119 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1C 409201120 LVPGKIJRRXYUHG-IDUWFGFVSA-N 480.329 5.193 5 40 JKBB O=[N+]([O-])c1ccc(Cl)cc1Oc1nc(F)c(F)c(Oc2cc(Cl)ccc2[N+](=O)[O-])c1F 1767453 LHZBNVPPEFSJPD-UHFFFAOYSA-N 476.150 6.207 5 40 JKBB Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2116636 MEWYNEXILYJUBC-UHFFFAOYSA-N 455.422 5.362 5 40 JKBB biogenic CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 8450175 RXMDQFRLQSORPD-GERBCZOESA-N 467.518 5.252 5 40 JKBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1 12485517 STQZTRRHYPBKFP-UHFFFAOYSA-N 455.699 5.445 5 40 JKBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 20528438 DTEIEANMTKMCIM-VQHVLOKHSA-N 488.250 5.186 5 40 JKBB COc1ccc(-c2csc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)n2)cc1OC 21595504 ANVXMEHKHSRNGM-UHFFFAOYSA-N 475.935 5.856 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C(C)(C)C)C4)cc2[N+](=O)[O-])CC1 59294461 LEUFSCIUFUYEKZ-QGZVFWFLSA-N 498.649 5.395 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)S2)cc1 408778221 RDYLTVCKQJMHSC-RWTNITNYSA-N 492.513 5.457 5 40 JKBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cccc1[N+](=O)[O-] 408906929 KQYFCOUUPDSHGA-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 2274364 BYBHOQRKVCDZQS-UHFFFAOYSA-N 479.467 6.994 5 40 JKBB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809740 SLZUSVIDHQAYRX-UHFFFAOYSA-N 499.358 5.260 5 40 JKBB CCc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)cc1 59294357 XMQVAKFKDDTFGS-UHFFFAOYSA-N 484.556 6.454 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214902562 VXROFQTWUVHHDF-YBFXNURJSA-N 474.416 6.110 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C 224280810 JTNGBWNXIIYFGK-DQEYMECFSA-N 470.554 6.044 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccccc1 408573162 SQWDRZXPPHDQGP-QHCPKHFHSA-N 480.977 5.918 5 40 JKBB O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8832873 ZUHPRWDYSYQEID-UHFFFAOYSA-N 482.262 5.022 5 40 JKBB CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCc1ccc([N+](=O)[O-])cc1 9390937 MFGHIHGTOFCRHM-UHFFFAOYSA-N 483.638 5.111 5 40 JKBB CN(C)c1nc2ccc(Oc3ccc([N+](=O)[O-])cc3C(=O)c3ccc(Cl)cc3)cc2s1 12414069 CBTKTRVEAFSVHF-UHFFFAOYSA-N 453.907 5.947 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(OCc2ccccc2)cc1 13097801 WPZQGPIRAHVTFA-UHFFFAOYSA-N 468.531 5.141 5 40 JKBB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-] 22707875 QANSRFRCIRYDCY-JXMROGBWSA-N 471.922 5.352 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 59409118 AMBYFLDBFVIUGG-OAQYLSRUSA-N 470.348 5.633 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 72229936 BRISWFRWXANROV-DEOSSOPVSA-N 478.888 5.851 5 40 JKBB Cc1c(O)ccc2c1oc1c(C3=Cc4ccccc4OC3)c3c(O)nn(C4CCCCCC4)c3nc12 79487170 UJBMAZPTKNERPI-UHFFFAOYSA-N 481.552 6.879 5 40 JKBB Cc1c(OC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)ccc2c1oc(=O)c1ccccc12 100766581 SZVPOKLXHVAKQG-HDICACEKSA-N 465.546 5.491 5 40 JKBB CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1 409003993 NJUIUGXZQUGXGT-JLPGSUDCSA-N 486.480 5.337 5 40 JKBB Cc1ccc(S(=O)(=O)N2CC3=Cc4cc(Br)ccc4Oc4cc([N+](=O)[O-])cc2c43)cc1 1076229 QSWROISQSKQHEU-UHFFFAOYSA-N 499.342 5.521 5 40 JKBB Cc1cc(C)c2nc3sc4c(SCC(=O)N5CCCc6ccccc65)ncnc4c3cc2c1 1327831 FCRFGCURQCOBOC-UHFFFAOYSA-N 470.623 6.081 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N[C@@]1(c1c[nH]c2ccccc12)c1c[nH]c2ccc(Br)cc12 4822657 IGKHGLRADDVBRQ-DEOSSOPVSA-N 487.313 5.872 5 40 JKBB CCOc1c(OC)cccc1-c1cnc2c3ccc(OC)c(OC)c3c(=O)n3c4ccccc4c1c23 8792235 PKLKTJPTZIJFDG-UHFFFAOYSA-N 480.520 5.683 5 40 JKBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 8885829 USXQLNOIQKVAAQ-MGPUTAFESA-N 466.567 5.039 5 40 JKBB Cc1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c(C)o1 9138798 BYOKMIIIUVLCRR-IBGZPJMESA-N 473.279 5.104 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232801 RTGNBDLROUKPNF-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232890 PLQTXXITWGSTHA-VXLYETTFSA-N 475.309 6.398 5 40 JKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)N1CCCCCC1 12546512 DRULHDOTBASCTB-UHFFFAOYSA-N 478.496 5.447 5 40 JKBB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 16042569 ZITYTRBUWDXMEU-LHSJRXKWSA-N 469.534 5.108 5 40 JKBB biogenic CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 16611097 FEXYFBCBNRJKCB-OAHLLOKOSA-N 488.569 6.352 5 40 JKBB O=C(O)CCCCCCCCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 34902789 GPYFUJLNVWPRNX-UHFFFAOYSA-N 465.615 6.458 5 40 JKBB O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39759909 PQCBBTXJQUCPLK-UHFFFAOYSA-N 493.479 5.232 5 40 JKBB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223445984 GMZYFTCXYNFXGF-RPBOFIJWSA-N 486.553 5.431 5 40 JKBB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408751001 VFCVHIPYESGCQO-IRXDYDNUSA-N 453.545 5.176 5 40 JKBB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409109554 HEQOIBPFPNLPAM-UHFFFAOYSA-N 451.737 7.055 5 40 JKBB Cc1cc(C)c2cc3c(nc2c1)sc1c(SCC(=O)NCc2cccs2)ncnc13 1327838 MDWHTIYZHCGFHW-UHFFFAOYSA-N 450.614 5.480 5 40 JKBB COc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(-c3cc(C)cc(C)c3)c(C)nc21 2213368 USFCNOSSZIVBLB-UHFFFAOYSA-N 461.525 5.207 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 2273648 QJAONJBSDZDDAC-JIPXPUAJSA-N 485.584 6.688 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 4090471 GKDYASCFLSQSCB-UHFFFAOYSA-N 460.515 5.455 5 40 JKBB CCc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccc(F)cc3)nc12 6860518 GTVILSXZDKSABW-UHFFFAOYSA-N 462.506 5.637 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3cccc(Cl)c3)nc2N1 9637925 BVRANQNTKHOVMY-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)Nc3ccc(Cl)cc3)cnc2n1Cc1ccc([N+](=O)[O-])cc1 13500036 QUCDCPNFRRKTLE-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1[N+](=O)[O-] 31651463 TYGOFFWTASZIJG-UHFFFAOYSA-N 484.292 5.094 5 40 JKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224493220 YHGVHJBENDZWDJ-NRFANRHFSA-N 492.403 5.310 5 40 JKBB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225316014 RRKPCWMNFJNOCS-MHZLTWQESA-N 487.600 5.002 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409193428 KNRLCGLMIHPJOH-VXAIQDGOSA-N 498.491 5.265 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1CCc1ccccc1 409211322 NLLGLAMVBXBWPR-DEDYPNTBSA-N 454.891 5.787 5 40 JKBB O=[N+]([O-])c1ccc2nc(Nc3cccc(C(F)(F)F)c3)c(Nc3cccc(C(F)(F)F)c3)nc2c1 2029440 CJUJPLWPDCTDEH-UHFFFAOYSA-N 493.367 7.063 5 40 JKBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCc2ccccc2)cc1 9019305 JWRLBTKEJLWVGY-UQQQWYQISA-N 481.508 5.251 5 40 JKBB CCCCCC(=O)Oc1cn(-c2ccc(CC)cc2)c2nc(CCCCC)n3c4ccccc4nc3c12 9243339 WWZHJRXWZARLNT-UHFFFAOYSA-N 496.655 7.607 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2ccccc2Sc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 15911242 NSKDXCXWPMANFZ-UHFFFAOYSA-N 457.964 5.835 5 40 JKBB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C)c(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16779779 ZKSQQDYOXDVYPK-UHFFFAOYSA-N 491.569 5.776 5 40 JKBB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 20970191 UCXASOFYOQXDGY-DEOSSOPVSA-N 453.502 5.435 5 40 JKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O 32124717 YXDBSQGEDSTOPE-GEYIUBJWSA-N 486.571 5.432 5 40 JKBB CC(C)COC(=O)c1cc2cccc3c4cccc5cccc(c(c1C(=O)OCC(C)C)c23)c54 83411148 SDKNPMBAQGMLAD-UHFFFAOYSA-N 452.550 7.363 5 40 JKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C/C=C\c1ccccc1 100475353 PNFWAZAOTJQFFQ-DAXSKMNVSA-N 460.358 5.445 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215017513 IWEHWBSKXMIHBC-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409013504 APOYFZPQXVVWEB-RQZCQDPDSA-N 467.330 5.925 5 40 JKBB COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409121741 VYGFKPWRQMCNQY-UHFFFAOYSA-N 471.351 6.174 5 40 JKBB CCOc1ccc(CC(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2C(C)(C)C)cc1 2718571 KLDMLZCDUKHNTH-UHFFFAOYSA-N 469.563 5.553 5 40 JKBB O=C1/C(=C/Nc2cccc([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 3191275 BNDHDLRHYRQHPJ-DEDYPNTBSA-N 453.376 5.254 5 40 JKBB CCN(CC)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(OC)ccc2OC)cs1 6511265 VDGJBQGRULPWOC-UHFFFAOYSA-N 498.605 5.114 5 40 JKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 8901827 NDNROQNZYQFFDH-UHFFFAOYSA-N 499.354 5.116 5 40 JKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccc(Cl)cc2)o1 14275244 APVWAKMDDXUBGX-UHFFFAOYSA-N 480.727 5.398 5 40 JKBB O=[N+]([O-])c1ccc2[nH]c(SCc3ccccc3CSc3nc4ccc([N+](=O)[O-])cc4[nH]3)nc2c1 16450120 YXYWJNLZWRDHJW-UHFFFAOYSA-N 492.542 5.840 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)[C@H]1CCC 16995241 QFGSOVFGTYDQQW-KCWPFWIISA-N 492.576 5.653 5 40 JKBB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 17995977 TZGJHJKWADXIOC-CYXNTTPDSA-N 479.492 5.108 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154387 OXIZXTGQQXJHRF-XBXARRHUSA-N 487.343 5.223 5 40 JKBB COc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183597 AQBVVGRPMXIBLD-UHFFFAOYSA-N 475.302 5.920 5 40 JKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 21596015 WAKPJAFHAAZXCN-UHFFFAOYSA-N 471.517 5.595 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 106701836 BCLSXHSAOYFYPE-OYKKKHCWSA-N 490.537 5.727 5 40 JKBB C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]3(C)[C@H]1CC2 118925233 GILPMOAHSFSFMF-IXKNJLPQSA-N 468.550 6.381 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1 224887349 BALQOEMNPSHEND-DHIUTWEWSA-N 492.944 5.786 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl 408565195 IUFFDZAGLPGUAP-RHLLLVCUSA-N 498.366 5.141 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1C 408569891 KDUXCFFBIUKDNC-VWLOTQADSA-N 492.576 6.021 5 40 JKBB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4c5ccccc5C[C@H]43)cc2)cc1 408993055 BRXBQGUWHJCDAW-GGCFSWKVSA-N 462.549 6.953 5 40 JKBB C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 1666684 KMLZVZXTJRRFSZ-YJJLJQPASA-N 482.282 7.118 5 40 JKBB in-vitro CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc21 2195009 RSWXNAGRFYTXKA-VOIUYBSRSA-N 474.473 5.036 5 40 JKBB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)nc(S)n2c4ccccc4nc32)CC1 2959568 DGRUFVDJBJWCOY-UHFFFAOYSA-N 488.016 5.249 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 3166117 OADVFLKQNHEYSI-UHFFFAOYSA-N 494.544 5.272 5 40 JKBB biogenic CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2C1 3286745 NXCFRBFSODQAFN-SFHVURJKSA-N 476.529 5.518 5 40 JKBB CCN(CC)CCC(CCN(CC)CC)(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 5698983 HHCZCSDVRJAIGA-UHFFFAOYSA-N 469.626 5.153 5 40 JKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 9290841 GAKKYNOMRHWHNP-LADGPHEKSA-N 478.346 6.216 5 40 JKBB O=C(O)CC/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2s1 14359111 GCVWNONISVAAKI-ACCUITESSA-N 499.342 6.632 5 40 JKBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2cccc3ccccc23)c1 39758062 AUNSTMYZNSEXNL-UHFFFAOYSA-N 479.452 5.303 5 40 JKBB COc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C(C)C 223270208 FNPKKUOYNJVMGU-RHKYMZEHSA-N 458.558 6.453 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 408756693 IYZGRZYRPUOHLU-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 409137143 WMRCVSUVUPYOGV-UHFFFAOYSA-N 495.362 7.885 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Cl)c2C)cc1 409310384 AYSXKTVPIOWQQL-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB O=C1c2[nH]nc(-c3ccc(Br)cc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 843878 BYHUYKVNSGLLMD-JOCHJYFZSA-N 475.302 5.497 5 40 JKBB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 888308 VHCSKOQVUZPPCV-QGZVFWFLSA-N 459.531 5.270 5 40 JKBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)cc1 2305886 TVVPVODKMDVQFC-UHFFFAOYSA-N 453.546 5.165 5 40 JKBB O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 3315726 HGSLIVGOTAZKGK-LJQANCHMSA-N 479.703 6.092 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769554 FSUNNZOKJLNUJB-LPYMAVHISA-N 491.481 5.319 5 40 JKBB O=C(O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 4830950 XTTSYMYBNFJCMV-RUZDIDTESA-N 484.577 6.185 5 40 JKBB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 9288970 QHTACXMXULEXMG-PKTZIBPZSA-N 489.919 5.230 5 40 JKBB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 9987607 UYGNAPLOHGYGAU-UHFFFAOYSA-N 497.939 5.425 5 40 JKBB Cc1ccc(C(C)C)c(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)c1 13643598 PCYVXWDMRGJMTC-UHFFFAOYSA-N 483.597 6.775 5 40 JKBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc(-c5ccc(COc6ccc(F)cc6)o5)nc34)c12 13643670 JYLPGJZYFCIABZ-UHFFFAOYSA-N 499.449 6.193 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 14275944 ARDCHLKBAJEKOB-UHFFFAOYSA-N 474.778 6.205 5 40 JKBB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc([N+](=O)[O-])ccc4Cl)o2)N3)C1 15947063 VZWCETTUBGWDMA-HXUWFJFHSA-N 472.954 5.765 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccccc2Cl)c(Cl)c1 16449982 ZISOLLPGPLCIFQ-UHFFFAOYSA-N 480.779 6.336 5 40 JKBB Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 106374817 CZRSPJJBCHOQMC-UHFFFAOYSA-N 473.876 5.803 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 408994234 YJKYSRFRGXADJS-UHFFFAOYSA-N 466.449 5.531 5 40 JKBB Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(Br)cc1 409196028 MKTOWVBCDSJUKO-UZYVYHOESA-N 466.744 5.127 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409211048 MBTAPUYBRFWOLR-BUVRLJJBSA-N 490.537 5.461 5 40 JKBB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2639500 NVBXNVZRGMSHKJ-HNNXBMFYSA-N 491.960 5.887 5 40 JKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccc(Br)cc1F 3235656 DOTNCRVVWFSWMB-UHFFFAOYSA-N 452.279 5.690 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Br)cc3)n2CCc2ccccc2)cc1 3271709 NWENUPFMAJSBEY-UHFFFAOYSA-N 495.402 6.151 5 40 JKBB Cc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C 4122610 UJDHWZDZNGGDNU-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccc([N+](=O)[O-])c1 8835463 RTTMCFTZJCOCOY-UHFFFAOYSA-N 494.532 6.197 5 40 JKBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1nc2ccccc2s1 9186979 FYNSJPUCSWZTHT-FQEVSTJZSA-N 455.451 5.061 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cc3c(s2)CCCCC3)c2ccccc2)c([N+](=O)[O-])c1 12551377 UXVNJJFKDBEQJB-HSZRJFAPSA-N 464.543 5.770 5 40 JKBB COc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(Cl)cc4)nsc23)c([N+](=O)[O-])c1 13510977 QLHQXOQDMLJGHG-UHFFFAOYSA-N 487.950 5.054 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 13602134 RXMDQFRLQSORPD-YQOVMPOYSA-N 467.518 5.252 5 40 JKBB biogenic O=C(Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1 100484364 VIEKUDIJUOYQGJ-QKBNKGEKSA-N 452.554 6.637 5 40 JKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Sc1nc2ccccc2o1 408633909 NFRKWKVRIJNQED-DEDYPNTBSA-N 450.497 6.105 5 40 JKBB CC[C@@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\N=C(c3ccccc3)OC2=O)cc1 2180142 JBUVWEPPEYAVSP-ZZMKYJANSA-N 486.524 5.911 5 40 JKBB CCn1c(C[S@](=O)Cc2ccc(Cl)cc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 8855289 FJYGJQQUVASPQQ-PMERELPUSA-N 485.418 5.254 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] 9355139 OSOODSUTKQPZCB-UHFFFAOYSA-N 498.973 5.660 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14278051 XECMPOMMBLYOHV-UHFFFAOYSA-N 497.507 7.047 5 40 JKBB c1ccc(C[C@@H]2C[N+]3(CCCCCC[N+]45CCC(CC4)[C@H](Cc4ccccc4)C5)CCC2CC3)cc1 33903680 MFWSEHOWMZMWKU-COKLJRCYSA-N 486.788 6.745 5 40 JKBB in-vitro CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br 106727850 WHPYLZAKCXXGRE-ZDLGFXPLSA-N 477.336 5.381 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223872972 IMPISVXFLQKTPB-DHIUTWEWSA-N 458.499 5.133 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408560354 YWWLMQJEVKLUGD-UHFFFAOYSA-N 454.395 5.214 5 40 JKBB COC(=O)c1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408976861 SQOYMBXPYAMKRU-UHFFFAOYSA-N 490.548 5.475 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 409179805 TXCSAQDQAAGVON-JWQCQUIFSA-N 498.491 5.200 5 40 JKBB O=C(Oc1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1 1840237 NOKKSIJJTWXSHN-UHFFFAOYSA-N 484.420 5.608 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 2273647 QJAONJBSDZDDAC-IDISGSTGSA-N 485.584 6.688 5 40 JKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4113416 XVNLDAHYGUOZCH-YIFZBPKDSA-N 450.491 5.013 5 40 JKBB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 8965774 FCUDTFSZOAMCDU-OKZBNKHCSA-N 465.579 5.113 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1 9030607 YTZBOKSIOOBHBF-UHFFFAOYSA-N 494.500 5.395 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570490 LIJNWKADAGRHKJ-UHFFFAOYSA-N 493.976 5.459 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2C)nc2cc([N+](=O)[O-])ccc21 12311769 RUJRTUWHLRPSOR-UHFFFAOYSA-N 462.531 5.290 5 40 JKBB CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@](C)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 12499999 DDZCMMMLWZRBQM-HOYKHHGWSA-N 498.540 5.031 5 40 JKBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 12559669 KJKUYBGNIYPVRF-YTMVLYRLSA-N 461.521 6.678 5 40 JKBB CCN(C(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1cccc2ccccc12 12632752 WCRHSLAOFFGUGR-BGYRXZFFSA-N 489.572 5.440 5 40 JKBB O=C(COc1ccc2ccccc2c1)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13857183 CPKZENSTUROQQE-UHFFFAOYSA-N 457.438 5.345 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 14272313 OBVJTFXHUWZKRG-UHFFFAOYSA-N 465.893 6.441 5 40 JKBB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22715405 KOLGNJPKNUQIMB-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB O=C(O[C@]1(C(F)(F)F)C(=O)Nc2cc(Cl)ccc21)c1cc2c(ccc3ccccc32)oc1=O 33482766 UCBFDOBLEWTMMZ-QFIPXVFZSA-N 473.790 5.166 5 40 JKBB COc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1Cl 33671560 HJGTXLVHMUMXGH-UHFFFAOYSA-N 498.948 5.335 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223399816 DPPRCVQAURJIBP-BJKOFHAPSA-N 456.527 5.423 5 40 JKBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1O[C@@H](C)CC 225677186 ULBRXNPXSRHXNI-KRWDZBQOSA-N 454.523 5.399 5 40 JKBB Cc1ccc(Sc2ccc(/C=C(/Sc3nc4ccccc4o3)C(=O)O)cc2[N+](=O)[O-])cc1 408633734 LTIQPNUERXOGJF-FYJGNVAPSA-N 464.524 6.413 5 40 JKBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1 408736410 BTICZRKZHFLEEZ-AREMUKBSSA-N 479.536 5.093 5 40 JKBB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 409206762 XIRRJIUSWNSVCL-LCUIJRPUSA-N 479.945 5.732 5 40 JKBB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409257327 QCLDEIFATMNCHP-UHFFFAOYSA-N 471.391 6.120 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1 3764417 CXPCHOKGNORFRH-RGVLZGJSSA-N 481.442 5.008 5 40 JKBB Cc1cccc2oc3cc(NCCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 8741374 YMVMKWRGNSCKJJ-GOSISDBHSA-N 481.596 5.783 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)c(C)c1 8900471 LMCDHPKCCBYRQY-JLHYYAGUSA-N 484.560 5.444 5 40 JKBB COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 8900895 NIHSONONLLQXQV-UHFFFAOYSA-N 494.935 5.362 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccc([N+](=O)[O-])c1 14269792 YYLCBUIQXHBYEP-RMKNXTFCSA-N 462.314 5.688 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1C 32116631 QYLINNXWUIFSEP-UHFFFAOYSA-N 460.515 5.455 5 40 JKBB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 223320884 QXHJMBPTBVCNBY-AMGIVPHBSA-N 487.600 5.001 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224248053 CWLMVSGLKKBFSB-BJKOFHAPSA-N 456.527 5.735 5 40 JKBB CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl 408573678 UAXQGXIQIDQPJF-SFHVURJKSA-N 467.378 5.700 5 40 JKBB O=C1N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1c1cccc(Cl)c1 409093859 BAMOZUVWSCLNSM-BUVRLJJBSA-N 499.910 6.078 5 40 JKBB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1794953 JWYAGAZHBMTPJZ-UHFFFAOYSA-N 482.492 5.854 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 1852877 KGQFLSUVHKZIAY-CQSZACIVSA-N 479.920 6.831 5 40 JKBB CSc1c(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n(Cc2ccccc2)c2ccccc12 2206333 OXFGSWVQYZSUKW-UHFFFAOYSA-N 465.962 6.154 5 40 JKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 4426974 YQSWFNWVZHCVHN-XMMPIXPASA-N 457.515 5.105 5 40 JKBB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)c1 8831154 NBDGYRGRLIUASY-UHFFFAOYSA-N 460.515 5.455 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8831810 VOEYBCMZPBJIIX-UHFFFAOYSA-N 471.494 6.392 5 40 JKBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3O)nc2c1 8835143 OYEKWFRVYDLTEM-UHFFFAOYSA-N 476.514 5.106 5 40 JKBB Cc1ccc2oc3cc(NCCN4CCC(C)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9108916 DXVCSRMXYUQSJC-UHFFFAOYSA-N 467.569 5.393 5 40 JKBB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 9169094 AQTDPUYXUDVTDL-OAHLLOKOSA-N 499.401 5.002 5 40 JKBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1c1ccccc1 9373663 PBDRGDBIUPGELB-JOCHJYFZSA-N 462.506 5.082 5 40 JKBB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1[N+](=O)[O-] 22568960 ITVOSKMNBNWTHG-UHFFFAOYSA-N 461.474 5.679 5 40 JKBB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 32115076 MTLFEEGMQVMXOO-UHFFFAOYSA-N 464.211 6.240 5 40 JKBB O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1ccccc1 35401622 AIYYCWLCCNNDQA-UHFFFAOYSA-N 486.509 5.234 5 40 JKBB CC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccccc1 102500767 BMHJHKFLXMKPMF-CCLHPLFOSA-N 453.498 6.165 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccccc1[N+](=O)[O-] 408829629 OHRUASVLSBIDFO-UHFFFAOYSA-N 477.545 7.305 5 40 JKBB O=C(O)c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 408999107 WJMIRUYJPKXUEC-APSXZJPFSA-N 470.525 6.169 5 40 JKBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 409367716 FBOXZGJBEDTNLQ-AYQSDIEASA-N 472.500 5.139 5 40 JKBB Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1C 8846706 NPOWGIRGSUMBIW-UHFFFAOYSA-N 473.451 6.341 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 8989809 KXGAFQPHKPLVHI-DEDYPNTBSA-N 455.392 5.023 5 40 JKBB O=C(CSc1nc2cc(C(=O)NCc3ccco3)ccc2c2nc3ccccc3n12)c1ccccc1 9472549 CKZYCEHEYGCLCJ-UHFFFAOYSA-N 492.560 5.534 5 40 JKBB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 12542882 DKAYFESPDDCACE-UHFFFAOYSA-N 460.914 5.126 5 40 JKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 14270497 WZPNWBZRRGRWOX-UHFFFAOYSA-N 468.947 5.652 5 40 JKBB COc1cc2oc3cc(=O)cc4oc(-c5ccccc5)cc(c2c2c1CC[C@@H](c1ccccc1)O2)c43 14614772 ZKOTWKIEVACBFM-QHCPKHFHSA-N 474.512 7.434 5 40 JKBB biogenic,in-vitro CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 22567816 SLIICLJLMYQHIG-CQSZACIVSA-N 460.446 6.077 5 40 JKBB CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 44087815 UNQDWHBHGYGXRW-UHFFFAOYSA-N 451.426 5.122 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224213047 YUXDMLBJGPOVSN-BJKOFHAPSA-N 455.543 5.266 5 40 JKBB O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363894 ACIOIFVYKDESOM-JLHYYAGUSA-N 474.925 7.351 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 408565767 DBWOJNJSNAXGMI-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB O=C(COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1)c1ccccc1 409019724 XEWWJJPRSDOOGZ-UHFFFAOYSA-N 488.499 6.517 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1Cl 409054862 OFIDEPVJROJIIP-UHFFFAOYSA-N 498.879 6.338 5 40 JKBB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 3170584 KPCVRYXPCAIGRR-MWTRTKDXSA-N 463.921 5.781 5 40 JKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccccc1C(F)(F)F 8760794 OAQLWWFQJZPJDW-UHFFFAOYSA-N 452.461 5.785 5 40 JKBB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] 8835160 IOYYUQHOGZSTEV-UHFFFAOYSA-N 478.555 5.321 5 40 JKBB CCc1ccc(OCc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2CC(C)C)cc1 13134695 CAGZZDWUALOWAN-UHFFFAOYSA-N 484.578 5.143 5 40 JKBB COC(=O)CN1[C@@H](c2cccc([N+](=O)[O-])c2)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 49593412 DMMHNRQEFOHLAQ-GOTSBHOMSA-N 482.334 5.046 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102706940 SRLUQNQQGCXAOS-DSITVLBTSA-N 499.910 5.453 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224879102 ILDRYYWQAOJYQP-XZOQPEGZSA-N 491.960 5.317 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2ncccc12 1263231 BNTLFBCTSZEXQA-UHFFFAOYSA-N 456.457 6.805 5 40 JKBB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c([N+](=O)[O-])c1 1892042 CUTGZJLONFRNSJ-UHFFFAOYSA-N 473.876 5.075 5 40 JKBB CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 2349812 NNSROCFMUZBMAR-JOCHJYFZSA-N 483.505 5.623 5 40 JKBB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)cc1[N+](=O)[O-] 4013116 WZJXYRBENWPBAI-UHFFFAOYSA-N 494.525 5.459 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc5ccccc5c4)C3=O)o2)c([N+](=O)[O-])c1 9233985 CAKOBDXNGILHMS-ZVHZXABRSA-N 486.505 6.253 5 40 JKBB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19929098 NQJPCUJTJMSKPR-UHFFFAOYSA-N 489.724 5.248 5 40 JKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)cc2Cl)o1 22751531 QNAMKNFVENVBHI-UHFFFAOYSA-N 493.353 5.898 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 72229935 BRISWFRWXANROV-XMMPIXPASA-N 478.888 5.851 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 72229996 GZXKXHHTFBQBHN-HSZRJFAPSA-N 451.910 5.182 5 40 JKBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224545534 GBVPRKCHWVJARF-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1c[nH]c2ccccc12 408572405 RBUWDHRBDPTXAQ-GOSISDBHSA-N 459.304 6.601 5 40 JKBB O=C1N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C(=O)N1c1ccccc1 409012232 JYWAVOZBVVHIHL-LFVJCYFKSA-N 465.465 5.424 5 40 JKBB O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 2054947 UYZFFXIICAPOJB-AWEZNQCLSA-N 456.635 5.152 5 40 JKBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 3311486 SJHQDLFHYOTZTC-NTEUORMPSA-N 483.521 6.897 5 40 JKBB COc1ccc(CCN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9209786 WDYXFYLMGCZEIW-VWLOTQADSA-N 484.508 5.115 5 40 JKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 14272213 LIWQEEGARWAJPF-RUDMXATFSA-N 468.296 6.670 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccc(F)cc3)ccc3ccccc23)c(Cl)c1 16525918 DBQRUHQAYMDOPP-UHFFFAOYSA-N 479.939 6.321 5 40 JKBB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 25274590 JZTHJUKZFWSVSK-UHFFFAOYSA-N 482.880 5.736 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 106015540 DCAZCKMMEAPQGQ-BCCVMWATSA-N 499.592 5.030 5 40 JKBB CC(C)(C)c1ccc(OC[C@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCCC2)c(C(C)(C)C)c1 226070949 RYJPAJWXJAPMHT-XMMPIXPASA-N 469.646 5.740 5 40 JKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 408541309 CEJWTFOEUPQHNO-YVMONPNESA-N 463.259 5.551 5 40 JKBB COc1c2c(cc3c1[C@@H](CC(=O)c1cc4c(cc1C)C(C)(C)[C@@H](C)C4(C)C)[N+](C)(C)CC3)OCO2 1280063 FALHEEPRKTYOPJ-WZONZLPQSA-N 478.653 5.884 5 40 JKBB biogenic CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 4013081 HHJMRDUAKBZDOL-UHFFFAOYSA-N 460.508 5.106 5 40 JKBB CCCCCCN(CCCCCC)[C@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 4428640 RVSFSXIOJOWXMC-MNNSJKJDSA-N 498.549 8.640 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(-c3[nH]nc(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1 9128729 WTHIFQDIYNFKAI-UHFFFAOYSA-N 455.392 5.955 5 40 JKBB CC(C)C(=O)Oc1cn(Cc2ccc(Cl)cc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9242697 ISFRBMMBYGKSDA-UHFFFAOYSA-N 460.965 6.224 5 40 JKBB O=C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 9495319 ABMHMGBZJKXZHT-NRFANRHFSA-N 474.275 5.225 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 10035096 IYOHDQKTHGQOKW-UHFFFAOYSA-N 485.521 6.701 5 40 JKBB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3cccc([N+](=O)[O-])c3)c3ncnn32)cc1 10060357 AYVHQCQJMSUCMJ-GOTSBHOMSA-N 489.919 5.230 5 40 JKBB CCC[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 12419494 WUKIAZWOZZWQRN-URLMMPGGSA-N 478.548 6.941 5 40 JKBB Cc1ccc(C2=NN(C(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)[C@H](c3ccco3)C2)cc1 12532834 POCUQAFHQHXBJI-IBGZPJMESA-N 478.555 5.576 5 40 JKBB CC(C)(C)[P@](=NC(=O)c1ccc([N+](=O)[O-])cc1)(Nc1cccc(C(F)(F)F)c1)c1ccncc1 12559781 XQIZSLHUCHADSG-UMSFTDKQSA-N 490.422 6.501 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(I)cc2)c([N+](=O)[O-])c1 13602157 RWFSRHHFKYYKHL-UHFFFAOYSA-N 490.209 5.131 5 40 JKBB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14277505 YCJFMVLTRKAMKW-UHFFFAOYSA-N 478.961 6.377 5 40 JKBB Cn1ccnc1Sc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1[N+](=O)[O-] 25395969 RJDPPJGGRBDTOX-JOCHJYFZSA-N 475.505 5.390 5 40 JKBB CC1=C[C@@H](CNCc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 30883363 USTXJKCWEHNTSA-FIXSFTCYSA-N 461.566 5.227 5 40 JKBB biogenic,in-vitro O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 224037260 QTALHFGZEVBEKP-ZEQRLZLVSA-N 486.509 5.156 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1cccc2ccccc12 408564963 ATUBQHXHOAWWDA-AREMUKBSSA-N 466.537 6.707 5 40 JKBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2c[nH]c3ccccc23)n1 3302396 WQXGIZDTCHEMIZ-UHFFFAOYSA-N 453.501 5.032 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4cccc(C)c4)cc3c3ccnc2c31 8792424 PZNDOUBDSNRWRU-UHFFFAOYSA-N 450.494 5.497 5 40 JKBB biogenic Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)c([N+](=O)[O-])c1 20140623 MPVPMYGCTOAVLU-UHFFFAOYSA-N 452.850 5.821 5 40 JKBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl 33551014 QBSUFHDZXTUGTR-UHFFFAOYSA-N 473.876 5.803 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)cc1 59294568 BAHCPPFDDYISRG-UHFFFAOYSA-N 479.901 6.532 5 40 JKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223543928 MBVTVLOUHXSSEJ-LJQANCHMSA-N 480.392 5.166 5 40 JKBB CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408560952 GBODIRVHLFGREO-ATJXCDBQSA-N 450.347 5.755 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(F)cc1 408577774 ZVPPATJEXNAQLO-HSZRJFAPSA-N 464.522 5.404 5 40 JKBB O=[N+]([O-])c1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1 408750798 RWWHXQFOGIVHLX-UHFFFAOYSA-N 460.172 6.022 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408919025 RSKVFQMTYGOORE-YBFXNURJSA-N 485.315 5.854 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Cl)c1 409052422 HGGACZRIKOWZCE-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 409365945 ZTRJJROISUFKID-YDZHTSKRSA-N 492.484 5.232 5 40 JKBB c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1 1857523176 RRFSDXVQFGASBQ-UHFFFAOYSA-N 456.588 10.147 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O 840953 CONRXYZYPWQQDZ-UHFFFAOYSA-N 491.301 5.114 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1-c1cc(Cl)ccc1Cl 2233755 WGHYTUWMSIPMOR-UHFFFAOYSA-N 492.753 6.233 5 40 JKBB NC(=O)c1ccc(SCC(=O)Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)c([N+](=O)[O-])c1 2654457 VOSWCWYGCHVSJV-UHFFFAOYSA-N 496.614 5.596 5 40 JKBB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3011744 WWMHCDNJVVZNJX-WOJGMQOQSA-N 465.805 5.293 5 40 JKBB CCCCCCN(CCCCCC)[C@@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 4428638 RVSFSXIOJOWXMC-ZTOMLWHTSA-N 498.549 8.640 5 40 JKBB Cc1cccc2oc3cc(NCCN4CCCC[C@H]4C)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9089885 RYLXLLGKHYTGFN-GOSISDBHSA-N 467.569 5.536 5 40 JKBB Cc1ccc(-c2noc([C@H](C)N3CCN(c4ccc(C(=O)c5ccccc5)cc4[N+](=O)[O-])CC3)n2)cc1 12536545 QINGFPFCAGDSGR-FQEVSTJZSA-N 497.555 5.067 5 40 JKBB Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCCC1)C(C)(C)C 12575545 XXJQKQLDKVMMGB-XIFFEERXSA-N 465.538 6.365 5 40 JKBB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12639066 TWGFZCIWNOJSOU-SANMLTNESA-N 469.497 5.457 5 40 JKBB CCOP(=O)(OCC)c1c2ccccc2c(P(=O)(OCC)OCC)c2ccccc12 16697704 AJEHGIBGTGZRJW-UHFFFAOYSA-N 450.408 5.776 5 40 JKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 35131551 NBMXAGJZVUEAEY-ILIIHFCPSA-N 462.418 5.126 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223998113 DQBUQQFDGTZMDF-LOSJGSFVSA-N 499.552 5.385 5 40 JKBB Cc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409116237 JTSYMAYUQKGTST-MUUNZHRXSA-N 463.537 6.265 5 40 JKBB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409183836 VKJDVNMZHFQTBS-UHFFFAOYSA-N 498.875 5.047 5 40 JKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)C1 409333198 IIWUZBCQMIOHIU-RBSBEOHCSA-N 476.584 6.312 5 40 JKBB O=[N+]([O-])c1cc(Cl)ccc1SCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 2617518 RGVORSBPJDEXLF-NRFANRHFSA-N 492.778 6.911 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 8903011 NNCQRFWXJHQDCG-UHFFFAOYSA-N 481.508 7.347 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]cc3-c3ccc(Br)cc3)c(O)c2)cc1 9210040 HIVCURHVHXYWOB-UHFFFAOYSA-N 466.291 5.699 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 10059817 JOMQRDYDSJCWSE-VXKWHMMOSA-N 459.893 5.221 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 10119760 ZGDSWVBCZAJMKS-UHFFFAOYSA-N 480.318 6.289 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl 106699047 YKCVQMXLNNVNDZ-TVPGTPATSA-N 478.140 6.445 5 40 JKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC 225756930 AMZARUXAXVRSJV-KRWDZBQOSA-N 454.523 5.399 5 40 JKBB COc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-] 408554803 UNKHPTHJIZVWTM-UHFFFAOYSA-N 498.870 5.463 5 40 JKBB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc1C2 409056059 QVGOICAZALFYJC-UHFFFAOYSA-N 480.727 5.299 5 40 JKBB CCOc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409124615 JZCCRQOGBHFZGT-GDLZYMKVSA-N 493.563 6.355 5 40 JKBB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409357641 BDIZLZYBDYYCDW-UHFFFAOYSA-N 495.989 5.163 5 40 JKBB CCOC(=O)c1ccc(N[C@@H](c2cccc([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1 1818282 QSMYCPBDYATFCJ-OAQYLSRUSA-N 464.455 5.925 5 40 JKBB CC1=CC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc([C@]3(C)CC(C)(C)Nc4ccccc43)cc21 1867600 PPTLQOQXJQPORK-HKBQPEDESA-N 495.623 7.337 5 40 JKBB CN(C)c1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 9008995 WGCKGYUFBBLHEK-CQJMVLFOSA-N 473.960 5.302 5 40 JKBB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 9288966 QHTACXMXULEXMG-DHIUTWEWSA-N 489.919 5.230 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 9296636 WCFJCWYDSVHFRM-VCHYOVAHSA-N 461.282 6.403 5 40 JKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)ccc12 11867382 CGVGFUBMQWQPNR-UHFFFAOYSA-N 481.545 5.191 5 40 JKBB biogenic O=[N+]([O-])c1cccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2Cc2ccccc2)c1 12376639 OYKCKOAXWBCDEW-QYQHSDTDSA-N 455.461 6.424 5 40 JKBB C[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12585772 DEKWIKLSVGVVIY-CQSZACIVSA-N 453.436 5.189 5 40 JKBB COc1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)cc3)nc2c1 12855221 WZTFFFIHEGGGKR-UHFFFAOYSA-N 489.871 6.577 5 40 JKBB CCOc1cc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc(OCC)c1OCC 15391381 YWHRZMAVKBWGNU-UHFFFAOYSA-N 498.517 5.308 5 40 JKBB O=c1c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cc2cccc3c2n1CC3 95475571 AXBFAZCMKDMQCP-UHFFFAOYSA-N 492.535 5.785 5 40 JKBB O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 101075030 GOACCKYVWDKBFM-UNMCSNQZSA-N 450.292 5.600 5 40 JKBB Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccco1 108227538 VODLSQMGIAHRER-UHFFFAOYSA-N 490.497 5.135 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 408569103 IVEJBENPJSIYRR-XMMPIXPASA-N 478.549 5.712 5 40 JKBB O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 408757897 RYDUXZJDNYRHOM-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 409017688 STLNRVZEMYTEJK-JTQLQIEISA-N 469.306 5.155 5 40 JKBB CCCCc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2315731 CTLDAFOEVXZOJH-UHFFFAOYSA-N 468.473 5.795 5 40 JKBB CCCCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCc4ccccc4)cnc32)cc1 2353252 AJNUPLPCLLTWFJ-UHFFFAOYSA-N 489.579 5.705 5 40 JKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2411039 HSEDLDNJBHKJIU-UHFFFAOYSA-N 476.378 5.401 5 40 JKBB COc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1 6194330 QRGJWCBCWCVQJA-KRWDZBQOSA-N 489.557 5.279 5 40 JKBB CC(C)C(=O)Oc1cn(CCc2ccc(F)cc2)c2nc(C(C)C)n3c4ccccc4nc3c12 9242874 KEDIVRWSBHQQLV-UHFFFAOYSA-N 458.537 5.904 5 40 JKBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])n2C2CCCCC2)cc1 9631849 METVTWYUXWIPIP-UHFFFAOYSA-N 485.541 5.237 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2F)N1Cc1ccccc1 9762344 JUMWUIIJPQKXEK-HHHXNRCGSA-N 467.500 6.095 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Sc1ccc2ccccc2n1 12542745 YXMVBWBZJXXPKE-UHFFFAOYSA-N 471.947 5.748 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14271914 FZVQDXMOUSKFLJ-SOFGYWHQSA-N 472.328 5.524 5 40 JKBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccc(Cl)cc1 16228216 OKQGJMVODXTPAF-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 20140610 XHANBYNRJNZWHX-UHFFFAOYSA-N 452.850 5.821 5 40 JKBB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 24504870 TUJRLWHQZJXEIM-NRFANRHFSA-N 489.575 5.627 5 40 JKBB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc3oc(=O)c4ccccc4c3cc2Cl)CC1 217534420 FBVMHQYLXVTJPK-IYBDPMFKSA-N 485.964 5.836 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1 224251583 KUFDBGXVEATMFB-DQEYMECFSA-N 486.553 5.744 5 40 JKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408542124 HGOKMDPKVOPOBQ-DAXSKMNVSA-N 465.340 5.790 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408557225 NWWKMNSJLCKDIH-UHFFFAOYSA-N 457.870 5.746 5 40 JKBB S=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408975403 JKRAGLLSOIACII-UHFFFAOYSA-N 482.572 6.842 5 40 JKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@H]21 408994303 ZEJZXIFCVYCIFO-OIBXWCBGSA-N 451.320 5.837 5 40 JKBB COc1ccccc1N1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O 408994901 HQZJLDZBCDEFRD-UHFFFAOYSA-N 473.872 5.954 5 40 JKBB CCOc1cc(CNc2ccccc2CC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409121214 SYOZIHPBPKEMIP-UHFFFAOYSA-N 485.378 6.510 5 40 JKBB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)c2ccccc2)c1 1738593 DBMGETJVWBGCBN-UHFFFAOYSA-N 479.492 5.639 5 40 JKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 2212827 SCPQULHOGVVOLR-UHFFFAOYSA-N 466.906 5.492 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1-c1cc(Cl)ccc1Cl 2235166 FQUDKEUGORWCNF-UHFFFAOYSA-N 472.335 5.639 5 40 JKBB O=C(Nc1ccccc1SCc1cc([N+](=O)[O-])cc2c1OCOC2)C(Cl)=C(Cl)Cl 2556061 VNCVNJNBDAWROY-UHFFFAOYSA-N 475.737 5.578 5 40 JKBB CC1=CC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21 6461746 HSNUYQBLUWFKOG-UHFFFAOYSA-N 487.468 5.565 5 40 JKBB CCCCC(=O)Oc1cn(Cc2ccccc2OC)c2nc(CCCC)n3c4ccccc4nc3c12 9243300 ZUJIAMZRMAEMJZ-UHFFFAOYSA-N 484.600 6.332 5 40 JKBB C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc(Cl)cc2Cl)n31 9292030 BUKYAETXWDAVIQ-JTQLQIEISA-N 475.430 5.711 5 40 JKBB O=C(COc1ccc(Cl)cc1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 9414266 KUPQBRFRLRAYMZ-UHFFFAOYSA-N 465.849 5.264 5 40 JKBB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1ccc([N+](=O)[O-])cc1Cl 13425314 LSCXYOMIWWIDDA-UHFFFAOYSA-N 494.882 5.553 5 40 JKBB O=C(Nc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16526129 DDPYEIOARMYXJU-UHFFFAOYSA-N 475.460 7.069 5 40 JKBB CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)Sc2c1nc(-c1ccc(C)cc1)n2C(=O)CC 16777610 RBSOZFWFKKFZHE-UHFFFAOYSA-N 463.519 5.027 5 40 JKBB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19928105 LMWZEQDMXXJCAO-UHFFFAOYSA-N 459.698 5.336 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)c([N+](=O)[O-])c1 20610953 GKEKVLKAFRBZAJ-UHFFFAOYSA-N 453.458 5.458 5 40 JKBB O=[N+]([O-])c1ccccc1Sc1cc2c(N3CCN(Cc4ccccc4)CC3)ncnc2s1 33795433 HAFKKOKPBBJCNI-UHFFFAOYSA-N 463.588 5.073 5 40 JKBB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)CC1 225506552 VEESQDZCVILRNA-UHFFFAOYSA-N 451.567 5.156 5 40 JKBB Cc1sc2nc(-c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)nc(O)c2c1C 408987119 ALEFLKQGEVXZHX-UHFFFAOYSA-N 456.530 5.943 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409138925 JYMZNUWHXRBBDT-PXLXIMEGSA-N 464.499 5.533 5 40 JKBB Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C 409177056 BUJVZYHGSUUTHP-SANMLTNESA-N 460.486 5.098 5 40 JKBB CCOC(=O)c1c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)sc(C(=O)OC)c1C 2206069 AYQCRZAASOQIGN-UHFFFAOYSA-N 482.923 5.048 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2305321 WWGLQUOFSRESNM-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB CC[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)Nc1ccc(Br)cc1 9763481 VKXJXTZMODLUNY-QGZVFWFLSA-N 490.383 5.145 5 40 JKBB O=C(Nc1cccc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c1)c1ccccc1Cl 16387013 MMCCBDGHIAZVRU-VBKFSLOCSA-N 472.888 5.155 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccc(Cl)cc2Cl)c(Cl)c1 16449673 IAJRVTASVDBNFQ-UHFFFAOYSA-N 480.779 6.336 5 40 JKBB O=[N+]([O-])c1ccc(N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1 51330312 VDZWVYFOJVXKQV-FGODQDRRSA-N 478.379 7.703 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C(C)(C)C)C4)cc2[N+](=O)[O-])CC1 59294462 LEUFSCIUFUYEKZ-KRWDZBQOSA-N 498.649 5.395 5 40 JKBB O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409111435 CHFNRXCGNRKFKF-UNOMPAQXSA-N 451.276 5.429 5 40 JKBB COc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409204540 IKLZQESZINCEOQ-UHFFFAOYSA-N 461.287 5.696 5 40 JKBB CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)s1 2211217 BRZCPSWHHBBJMM-LJQANCHMSA-N 496.932 5.154 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2762316 GADDRRZPRABHHW-UHFFFAOYSA-N 463.287 5.930 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)n1 8455603 ISUVVAXPXKUSAN-PJFBIYSNSA-N 491.498 5.526 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 10119759 OWBRMUHITFJMNQ-UHFFFAOYSA-N 466.291 5.980 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13361978 WZSCZFCDBWDRRF-UHFFFAOYSA-N 494.290 7.222 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 13576405 XVNLDAHYGUOZCH-MPHOGZCYSA-N 450.491 5.013 5 40 JKBB Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2cc1Cl 14275621 ACBLXJYWJXNTFV-UHFFFAOYSA-N 490.010 5.283 5 40 JKBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 14279226 ZWDBEDKSLHJJRC-UHFFFAOYSA-N 496.951 5.065 5 40 JKBB O=C(Nc1ccccc1Cl)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409085926 XKLQVTLPJARZCP-UHFFFAOYSA-N 479.923 7.383 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C 409155651 QRSCDYVBDZXVGO-CIAFOILYSA-N 477.498 5.147 5 40 JKBB CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 1815387 JXEIGNVQVVRYBL-LJQANCHMSA-N 496.932 5.154 5 40 JKBB CC1(C)C[C@](C)(c2ccc(Br)cc2)c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1 6232557 IAGDGQCRPXGYRA-RUZDIDTESA-N 479.374 6.492 5 40 JKBB Cc1ccc(C)c(Oc2cc(NC(=O)CCCn3nc(C)c([N+](=O)[O-])c3C)cc([N+](=O)[O-])c2)c1 8682564 ALOBBIRGYDZNEJ-UHFFFAOYSA-N 467.482 5.144 5 40 JKBB Cc1cc(C)cc(C(=O)NCCn2cc(SCc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 9391913 YFSIFXKBKQFCQS-UHFFFAOYSA-N 459.571 5.889 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc3ccccc3c2=O)c(C)c1 10211492 RTKGOQZDGQXDHP-UHFFFAOYSA-N 494.960 5.295 5 40 JKBB CC(C)(C)c1ccc(-c2nnc(Sc3nc4ccc([N+](=O)[O-])cc4s3)n2-c2ccccc2)cc1 59489587 YQPBNJHERRQYMF-UHFFFAOYSA-N 487.610 6.901 5 40 JKBB C[N+](Cc1ccccc1)(Cc1csc(Nc2ccccc2)n1)Cc1csc(Nc2ccccc2)n1 102773651 LRXLPQJUZZGIPE-UHFFFAOYSA-N 498.701 7.434 5 40 JKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccccc3)cc2)cc1 408571329 OJLVOUIQJLTLPR-DEOSSOPVSA-N 460.559 5.573 5 40 JKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 408992790 BZROQISQNAXTLM-UHFFFAOYSA-N 466.449 5.531 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1c2c(nc3ccccc13)CCCC2 409180906 UIQQQMJXGZRTSE-MHZLTWQESA-N 466.493 5.803 5 40 JKBB COc1oc([C@H]2C/C(=C/C(C)=C/C(C)=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C 5437262 IZICQJAGBLBAMJ-QDYRYYKCSA-N 477.557 6.557 5 40 JKBB biogenic,in-vitro CCOc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3-c3c(ssc3=S)C2(C)C)cc1 6600734 KGRNZWDGMJSYEL-UHFFFAOYSA-N 458.586 6.408 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 10060331 VWNVFFXNPYVZBU-FCHUYYIVSA-N 459.893 5.221 5 40 JKBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)c3)nn12 10372887 IUBYGNZCGGCEMW-UHFFFAOYSA-N 476.562 5.082 5 40 JKBB C[C@@H](OC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 11277368 ZYJMLSKATWJXOJ-HXUWFJFHSA-N 476.532 5.392 5 40 JKBB Cc1ccc2c(oc(=O)c3c(-c4c(CO)cnc(C)c4O)nc4c5ccccc5oc4c32)c1C 11865298 ZVSGXBKDJZGIPM-UHFFFAOYSA-N 452.466 5.426 5 40 JKBB biogenic O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 26894771 GVIPCXFIZWZVDK-SANMLTNESA-N 481.939 7.161 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1)Nc1cccc(Cl)c1 44087354 KYPWXKWJUMQZRX-UHFFFAOYSA-N 499.379 6.485 5 40 JKBB CC1(C)[C@@]2(c3ccccc3)[C@H]3C[C@H](Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H]3[C@@]12c1ccccc1 104280338 PKVJOCRCDBBKCX-GZDPPATPSA-N 456.498 5.816 5 40 JKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C 108217369 HYDVLJGALVNTJY-ZRDIBKRKSA-N 451.479 5.211 5 40 JKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409010513 FFZNCTISNZDWAN-OTGIAGGSSA-N 476.938 5.671 5 40 JKBB O=[N+]([O-])c1ccc2[nH]cc(CC[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)c2c1 1807339 BCOOFRRKYFGKHY-UHFFFAOYSA-N 496.590 7.607 5 40 JKBB O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 4830695 NDTFOFJKCVWOLE-VWLOTQADSA-N 460.426 7.057 5 40 JKBB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 11866750 OFFNGASDRBRMOD-OSPHWJPCSA-N 459.498 5.193 5 40 JKBB biogenic O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 69643581 DALVAXOWCVIFLV-UHFFFAOYSA-N 483.899 5.429 5 40 JKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)ccc1O 79494688 ZYJBHUYDLDZAAD-UHFFFAOYSA-N 473.529 6.327 5 40 JKBB Cn1c(=O)c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc2ccccc21 95479338 XWXSEZWVCJMJHV-UHFFFAOYSA-N 466.497 5.376 5 40 JKBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 722548 DWFJHDLQVZBPLR-UHFFFAOYSA-N 452.264 5.726 5 40 JKBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 2069075 MHGVPKOSOQMATC-YBEGLDIGSA-N 462.767 5.872 5 40 JKBB CCCCn1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)OCC)c2nc3ccccc3nc21 3205308 IPNCCFQXQYHFOD-UHFFFAOYSA-N 495.923 5.375 5 40 JKBB COC[C@H](C)n1c(SCc2cc(=O)oc3ccc4ccccc4c23)nc2ccccc2c1=O 3297177 GCFHCCOHVSCDMQ-INIZCTEOSA-N 458.539 5.156 5 40 JKBB CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 9404375 SMUWSXZQOSXNOM-AWEZNQCLSA-N 457.562 5.232 5 40 JKBB CCCCCCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nc2ccccc21 12542843 XLZUJZPZLLFPRE-UHFFFAOYSA-N 456.568 5.573 5 40 JKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1c(F)cccc1Cl 12660194 KNIZIKWDPWYKHO-LJQANCHMSA-N 463.248 5.578 5 40 JKBB O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1ccc([N+](=O)[O-])cc1Cl 13748144 BPBRMYLRBBKJCD-BJMVGYQFSA-N 498.720 5.586 5 40 JKBB CCC[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 15163096 WUKIAZWOZZWQRN-VMPREFPWSA-N 478.548 6.941 5 40 JKBB O=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20530296 FAQXPFHJXIGYCB-UHFFFAOYSA-N 472.932 5.426 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 22754894 AMZLLJPTIGPYMR-UHFFFAOYSA-N 495.539 6.492 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2ccc(Br)cc2)cs1 57316216 OMVKIWFMCLEARF-ZRDIBKRKSA-N 496.342 6.393 5 40 JKBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224440100 GZGWJCKGVSJHEW-HXUWFJFHSA-N 498.432 5.078 5 40 JKBB Cc1ccc(OCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409175888 DDMWKQACKBJIRR-MUUNZHRXSA-N 481.504 6.263 5 40 JKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(COc2ccccc2Br)o1 998350 AMTQLBNIFZUJRU-UHFFFAOYSA-N 474.292 5.391 5 40 JKBB Cc1ccc(-n2c(-c3ccc(Br)cc3)cn3c4ccc5ccccc5c4nc23)cc1 1880511 HCGFFJPTHGKOLU-UHFFFAOYSA-N 452.355 7.169 5 40 JKBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2249793 FJDGBZUYISNNQD-UHFFFAOYSA-N 462.351 5.011 5 40 JKBB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 8835494 VAUBWFOPSNOERY-WEVVVXLNSA-N 492.340 5.697 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 10060341 VNGVGCJTQRKDPA-VXKWHMMOSA-N 459.893 5.221 5 40 JKBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)cc2[N+](=O)[O-])C1 12600080 HITLNMBPTRDYHD-QWRGUYRKSA-N 491.202 6.943 5 40 JKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 14272122 ILKPOPPUNGNYGO-UHFFFAOYSA-N 462.676 6.616 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(F)cc1 16195554 LWCJIBARDFZLDN-UHFFFAOYSA-N 494.350 5.830 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Cl)cc1 33713376 NVAKCSKQJFUGRT-UHFFFAOYSA-N 482.005 5.321 5 40 JKBB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 34880630 TWFYCSBUUURGOJ-UHFFFAOYSA-N 484.965 5.625 5 40 JKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225616184 LNTHZLGCWRNOAK-HTAPYJJXSA-N 492.041 5.204 5 40 JKBB C[C@H]1CCC[C@@H](n2c(=O)c3ccc4c(=O)n([C@H]5CCC[C@@H](C)[C@H]5C)c(=O)c5ccc(c2=O)c3c45)[C@@H]1C 248129311 AASLOMJBKLCZLF-UGCBEVCYSA-N 486.612 5.060 5 40 JKBB Cc1ccccc1NCc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409184884 YPLSMRGUIWRBQZ-NDEPHWFRSA-N 480.520 6.296 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 3117579 UGBFMMLASPXVLH-UHFFFAOYSA-N 484.364 7.253 5 40 JKBB O=c1cc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2c(ccc3ccccc32)o1 3337100 ITLUKRGYRKAFQH-UHFFFAOYSA-N 473.557 6.758 5 40 JKBB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 14277823 FJODMSNIBWZNNQ-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB Cc1ccc(OCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)c([N+](=O)[O-])n1 14357712 PCFJBUIZKWKXOX-DEOSSOPVSA-N 466.497 5.208 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccccc2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19329529 MSOHXLZLYGGIIC-UHFFFAOYSA-N 479.580 6.190 5 40 JKBB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1Cl 20610829 SFVDUWQHDVBCAB-YCRREMRBSA-N 484.299 5.296 5 40 JKBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 57317079 DUVFFEVOMFCZAM-UHFFFAOYSA-N 467.275 5.807 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 59477632 OFDPWGHFRPPAHE-DHZHZOJOSA-N 471.435 5.236 5 40 JKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1c[nH]c2ccccc12 408570872 MCVMAFAHPYUFTG-HXUWFJFHSA-N 469.310 6.057 5 40 JKBB CC[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409020334 OBQWGIDZSOCEFJ-BRABVMKYSA-N 462.527 6.162 5 40 JKBB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409055449 YSFGDHAMZXRKRM-UHFFFAOYSA-N 456.713 5.046 5 40 JKBB O=C(c1ccc(OCC[N+]2([O-])CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 602228 KNADIZJVEMEXLS-UHFFFAOYSA-N 489.593 6.088 5 40 JKBB in-vitro O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 10060332 VWNVFFXNPYVZBU-FGZHOGPDSA-N 459.893 5.221 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 12660416 QXFYQPMQOXTBPF-SDXDJHTJSA-N 456.523 6.438 5 40 JKBB O=C(CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc12)Nc1cc(Cl)ccc1Cl 13511039 DYGKZCWPDYCHBD-UHFFFAOYSA-N 492.369 5.699 5 40 JKBB Cc1ccc([C@H]2C[C@@H]2c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cc1 13643786 ZQSPYJRXUOHUDV-MJGOQNOKSA-N 483.547 7.071 5 40 JKBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20611117 SGYTWFCKPFADBD-UHFFFAOYSA-N 474.496 5.019 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O 37090559 VSHGUABCMAIMIE-ZZXKWVIFSA-N 478.313 5.394 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 226333882 CRYDTGWOULSLPD-IMERCNGYSA-N 460.961 7.124 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccccc1 408572425 RDMDIHSCLALDSU-QHCPKHFHSA-N 464.522 5.404 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(F)cc1 408577775 ZVPPATJEXNAQLO-QHCPKHFHSA-N 464.522 5.404 5 40 JKBB Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409011451 HVBIJHJMUFWNBT-NDENLUEZSA-N 453.907 5.584 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409356620 GNSHUYLPPRXMHU-SSDVNMTOSA-N 496.928 6.044 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1 2253267 HTNGBJMATCIAIL-UHFFFAOYSA-N 451.574 6.050 5 40 JKBB Cc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2cccc(Cl)c2)cc1 2330950 AORFUQFXWSATEP-UHFFFAOYSA-N 464.934 5.779 5 40 JKBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 3322417 IDGVQWKTBUJZRZ-WOJGMQOQSA-N 483.249 5.633 5 40 JKBB COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 8900899 ASCMMCVDKKVNIJ-YRNVUSSQSA-N 486.311 5.814 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cc(Cl)ccc1Cl 9414232 NJVSTPGDYVNKQZ-UHFFFAOYSA-N 470.268 6.152 5 40 JKBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 10120066 DSPYNJJIXIGHLQ-UHFFFAOYSA-N 463.902 6.447 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 12374641 CIAXBUJWAYQDJQ-UHFFFAOYSA-N 488.296 7.125 5 40 JKBB O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2C4c5ccccc5C(c5ccccc54)[C@@H]32)c([N+](=O)[O-])c1 104282938 VESZPZQDAIMVFX-OMDWDJKRSA-N 466.493 5.727 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745884 FHIHECLWHOGJHX-CFRMEGHHSA-N 487.512 5.973 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 224313197 MCBNOXOFFGSRNE-RPBOFIJWSA-N 469.570 5.574 5 40 JKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224734032 XFBJABPCVHMPBF-HXUWFJFHSA-N 483.634 5.003 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)cc1 408569145 IZAVGAGAOMJLCI-XMMPIXPASA-N 495.004 6.227 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)nc(SCCOc1ccccc1Cl)n2-c1cccc(C(F)(F)F)c1 3439280 LJUYSBMSHOKKBB-UHFFFAOYSA-N 493.894 6.777 5 40 JKBB O=C(CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474698 NPCFWIJFUQOFPB-UHFFFAOYSA-N 494.964 5.172 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)no1 8969883 LJGHXTRSZYJMNR-KRWDZBQOSA-N 472.240 5.054 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc(C(C)C)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9243225 MNHUFXTZNRBHPR-UHFFFAOYSA-N 482.628 7.388 5 40 JKBB CCCC(=O)Oc1cn(-c2cccc(Br)c2)c2nc(CCC)n3c4ccccc4nc3c12 9243758 IASUWDNXFVDPGF-UHFFFAOYSA-N 491.389 6.247 5 40 JKBB CCOc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccc(Br)cc4[C@H]3C2)cc1 36352160 RGMNHAFWFHDJKK-VWNXMTODSA-N 494.345 5.998 5 40 JKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)c1 102766707 JUNHIBNWBCGQAK-UPVQGACJSA-N 478.346 6.216 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1 205700773 TZVXFJLUEOFLDW-RGVLZGJSSA-N 465.443 5.308 5 40 JKBB CCn1c(S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632527 JLALOYISFWQTKK-ZHZULCJRSA-N 495.948 5.535 5 40 JKBB O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 409093851 AXZMZBONKRIQMT-VCHYOVAHSA-N 480.820 5.046 5 40 JKBB CCc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409183118 QCEFAHOFXCAQIS-AREMUKBSSA-N 460.486 5.043 5 40 JKBB O=C(Nc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccccc1 851581 YDGDEOVXCRDEAO-UHFFFAOYSA-N 489.509 5.440 5 40 JKBB COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924901 XGRSCRROXLPISY-OQAHHZTMSA-N 459.546 5.498 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)n1 8455604 ISUVVAXPXKUSAN-ABPFDORLSA-N 491.498 5.526 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 12531742 DZIVHTKMDJWWAG-UHFFFAOYSA-N 483.490 6.325 5 40 JKBB Cc1ccc(CN(c2ccc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3c2)S(C)(=O)=O)cc1 13584241 SAYYWVBFIJJVGM-UHFFFAOYSA-N 495.582 5.336 5 40 JKBB CCCC(=O)Oc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1OCC 15319493 KBOAADCMYUOTMZ-UHFFFAOYSA-N 487.555 7.371 5 40 JKBB O=C(C1CCCCC1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 15905909 QMJKVBHARGQLNF-ZUDLOMHPSA-N 488.544 6.206 5 40 JKBB CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3cc(Cl)ccc3C)C(=O)N=C2O)[C@H]1CC 17028386 QPSPXPBDNQUPDE-YKSBVNFPSA-N 484.940 5.217 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3nc4ccc(C(=O)OC(C)C)cc4s3)o2)c([N+](=O)[O-])c1 20411831 ATDPSVCDSNWOQS-UHFFFAOYSA-N 465.487 5.590 5 40 JKBB O=C(c1ccccc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 38190324 XBOBHRFVHCOBMV-HBSZIVNGSA-N 482.496 5.940 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 72229928 IAQAOZNZGOLMEO-DEOSSOPVSA-N 462.889 6.151 5 40 JKBB CCN(CCNc1ccc(Cl)cc1[N+](=O)[O-])c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 100217539 NATVMZAAPFQVLM-UHFFFAOYSA-N 477.783 5.022 5 40 JKBB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)c1 215011142 STCIEBHNRPJJCH-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224378177 KSSRULBACFGCLS-IZZNHLLZSA-N 483.597 6.081 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224380357 MMOKTWKZURPYQM-UIOOFZCWSA-N 484.581 6.550 5 40 JKBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224792638 WRUUBASAWIQFJM-MUUNZHRXSA-N 499.611 5.145 5 40 JKBB Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408604660 FFODZMHNYBFZEX-UHFFFAOYSA-N 461.743 6.510 5 40 JKBB O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 408609149 OHXGPVZTXBHYCX-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 408777793 JDMMDSYVIBPFAZ-GJFKPFFXSA-N 461.543 5.336 5 40 JKBB Cc1ccc(C(=O)COC(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)cc1[N+](=O)[O-] 1313358 VUVVKWCBWJCGCJ-UHFFFAOYSA-N 470.821 5.297 5 40 JKBB O=C1c2cc(-c3nc(-c4cccc(O)c4)[nH]c3-c3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21 6446764 QFURABKEHIJJNI-UHFFFAOYSA-N 459.461 6.236 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2cc(C)ccc2C)nc2cc([N+](=O)[O-])ccc21 12312019 QHQBQYCJFHVZBV-UHFFFAOYSA-N 462.531 5.290 5 40 JKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)c(C)c1 13644078 MOKSWHQQTASDCZ-UHFFFAOYSA-N 491.523 6.589 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 22565987 DFFUMHSSRAQJEI-QQNJPBSNSA-N 458.901 5.209 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32126549 VHWYIEGJZYCYIO-UKTHLTGXSA-N 469.884 6.862 5 40 JKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2[N+](=O)[O-])C1 108862292 OTKCOWCTUUTXNF-QLFBSQMISA-N 494.375 5.568 5 40 JKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3c4ccccc4cc4ccccc34)C(=O)O)o2)c1 408633501 NKVKMRNNPDBAOG-IWIPYMOSSA-N 484.533 6.278 5 40 JKBB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 408801710 BCLOYXODHPOGNN-UHFFFAOYSA-N 454.915 5.888 5 40 JKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2754603 TZKHLZGTVLQNTN-UHFFFAOYSA-N 466.931 6.387 5 40 JKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8900365 MAQSFSLHOCTLCN-UHFFFAOYSA-N 481.512 6.273 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)nc12 10010599 FVWZPORKCWBGND-UHFFFAOYSA-N 464.868 5.242 5 40 JKBB COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060446 FXRGSFZDQVOLIL-FCHUYYIVSA-N 489.919 5.230 5 40 JKBB COc1ccc([N+](=O)[O-])cc1N=[P@](Nc1cccc(C(F)(F)F)c1)(c1ccncc1)C(C)(C)C 12559519 KPAZCRXNJQDACZ-UUWRZZSWSA-N 492.438 7.001 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12 13510984 SCSSIEVWZOYATN-UHFFFAOYSA-N 487.950 5.054 5 40 JKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2[N+](=O)[O-])cc1 22709053 CPLRFGRMDQYURN-UHFFFAOYSA-N 473.312 5.925 5 40 JKBB O=C(O)c1c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] 39404517 SLQDOJHPBKTUGO-UWGPBRKDSA-N 481.508 5.730 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 408824239 GLJXUBAPKKMEFO-UHFFFAOYSA-N 470.337 6.944 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409182865 OXKOETJQEOKOIT-UHFFFAOYSA-N 479.445 5.066 5 40 JKBB O=C1S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 409356795 NWKXWIMGLJCSCF-JMIUGGIZSA-N 497.872 6.190 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 8831905 DOKQJALWZJAEAG-RUDMXATFSA-N 454.269 6.362 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 8833305 QARKGTNPABHHBH-QPJJXVBHSA-N 492.340 5.697 5 40 JKBB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 9506894 XQABCSBCWXNIKJ-QPJJXVBHSA-N 488.250 5.268 5 40 JKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 20212916 YYJFMEBTXGTUJU-HSZRJFAPSA-N 489.329 5.806 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccncc12 23983745 SAWUXXKVRJQDAH-UHFFFAOYSA-N 460.484 5.333 5 40 JKBB CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])c(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 105965895 XKYVADHLCNLQRD-UHFFFAOYSA-N 482.360 5.134 5 40 JKBB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)C1 409334797 IUFKZPUXPOQNER-MRXNPFEDSA-N 461.591 5.110 5 40 JKBB Cc1c(C(=O)N(c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3s2)cccc1[N+](=O)[O-] 3340475 BWHFVKYSAKMZSE-UHFFFAOYSA-N 481.533 7.284 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4)n3-c3ccc(F)cc3)c1)OCOC2 3434035 OPLBDYPMWAWLGK-UHFFFAOYSA-N 464.478 5.140 5 40 JKBB Clc1c(Cl)c(Cl)c2c(c1Cl)OC[C@H](c1ccc3cc4ccccc4cc3c1)O2 3844426 DGUGRHYLLRMJBK-MRXNPFEDSA-N 450.148 8.119 5 40 JKBB biogenic Cc1oc2c(cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1C(=O)OC(C)C 8871913 TXEGRPJKAVENBU-UHFFFAOYSA-N 468.487 5.169 5 40 JKBB CC(C)CC(=O)Oc1cn(C2CCCCCC2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9124684 MANCBRNLIHUQJW-UHFFFAOYSA-N 460.622 6.883 5 40 JKBB C[C@@H]1CCCC[C@@H]1n1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccnc1 9493695 YLVJOPXAOQKRGZ-BEFAXECRSA-N 477.550 5.342 5 40 JKBB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12588276 LUQAUKRAEQJPGB-UHFFFAOYSA-N 455.864 5.142 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1 13546518 OQKANZNSIQHMHG-JAIQZWGSSA-N 481.442 5.008 5 40 JKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)CC1 72230007 TYJHSUVKOFQYHD-RUZDIDTESA-N 479.964 5.819 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 102773753 DCAZCKMMEAPQGQ-PAHOUZJPSA-N 499.592 5.030 5 40 JKBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1 408559770 YSLQCKUWTLAXCE-UHFFFAOYSA-N 489.937 5.008 5 40 JKBB O=C(Nc1ccc2ccccc2c1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975099 KCDPXCRCCAGTDF-UHFFFAOYSA-N 451.489 6.285 5 40 JKBB CC(C)Cn1cc(OC(=O)c2ccc(F)cc2)c2c1nc(-c1ccc(F)cc1)n1c3ccccc3nc21 2448849 QSVBNXRZJABIDV-UHFFFAOYSA-N 496.517 6.658 5 40 JKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(-c2cccs2)nn1-c1ccccc1 3297932 JDAFMKFCJCOCOY-UHFFFAOYSA-N 478.529 6.217 5 40 JKBB CCOc1c(Br)cc(F)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12523481 UVKNJKBRAIVYIL-UHFFFAOYSA-N 469.310 5.094 5 40 JKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 14277673 WGAFHUKBZDYWNM-UHFFFAOYSA-N 475.913 7.037 5 40 JKBB CC(C)c1ccccc1-n1c(SCc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O 15554702 YEGZBMUDTVXYHR-UHFFFAOYSA-N 465.962 6.363 5 40 JKBB COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)ccc3o2)c1 21579367 BYLJQIDXBUXZAE-UHFFFAOYSA-N 469.453 6.232 5 40 JKBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595434 RVMWOFVUEIATLR-UHFFFAOYSA-N 465.943 6.992 5 40 JKBB c1ccc(C[C@H]2C[N+]3(CCCCCC[N+]45CCC(CC4)[C@@H](Cc4ccccc4)C5)CCC2CC3)cc1 33903682 MFWSEHOWMZMWKU-WTURYBQISA-N 486.788 6.745 5 40 JKBB in-vitro Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101147922 TZGJHJKWADXIOC-GSDHBNRESA-N 479.492 5.108 5 40 JKBB Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@H]3C2=O)c(C)c1 102766476 XRNUNXKWWYCCAH-XPWALMASSA-N 495.894 5.055 5 40 JKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(C)c(C)c1 408562116 MUFPFLSUGHMNLV-BZZOAKBMSA-N 457.983 6.109 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1C 408572707 RWGNKNWKKWEWDG-RUZDIDTESA-N 492.576 6.021 5 40 JKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1c2ccccc2cc2ccccc12 408840068 XJPGDDBLUFWLJE-FYJGNVAPSA-N 484.920 7.114 5 40 JKBB CCCOc1ccc(-c2cnc3c4ccc(OC)c(OC)c4c(=O)n4c5ccccc5c2c34)cc1OC 8792372 VHEIZZZPYIVAMO-UHFFFAOYSA-N 494.547 6.074 5 40 JKBB biogenic Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc3c(s2)CCCCC3)c2ccccc2)c([N+](=O)[O-])c1 12551374 UXVNJJFKDBEQJB-QHCPKHFHSA-N 464.543 5.770 5 40 JKBB O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 13937381 KXUZXJNDVFKFTE-UHFFFAOYSA-N 497.385 5.511 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)o2)c([N+](=O)[O-])c1 20610915 KSLLNGBFIFJHPS-UHFFFAOYSA-N 473.876 5.803 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 57312852 FYHRCGPEQWFWNO-JQIJEIRASA-N 450.454 6.050 5 40 JKBB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 223829981 IFMRVRLSAFBHGG-JWQCQUIFSA-N 485.569 5.356 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1 224623948 JBAJRQOQGINFID-XZOQPEGZSA-N 458.499 5.133 5 40 JKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225670828 CIGOLKZJJOSZTQ-QRWLVFNGSA-N 480.392 5.166 5 40 JKBB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 408633248 JJOXKVWMGIGRSR-LDADJPATSA-N 474.926 5.362 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408919212 UWSCVUFLMWICJV-VXLYETTFSA-N 485.861 5.653 5 40 JKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 409177326 DPDOPQXBMCFYDS-UHFFFAOYSA-N 453.281 6.474 5 40 JKBB Cc1cccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2)c1 409182803 OOSPUWPRVMDTKY-UHFFFAOYSA-N 487.533 5.931 5 40 JKBB O=C(Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 832880 CGRJCSSALLIDGN-UHFFFAOYSA-N 462.465 5.621 5 40 JKBB O=c1oc2ccccc2c(O)c1C(c1ccc(Cl)c([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O 8426552 YDDBGHZBZOGCLM-UHFFFAOYSA-N 491.839 5.052 5 40 JKBB Cc1ccc(Oc2cc(NC(=O)CCCn3nc([N+](=O)[O-])c(Cl)c3C)cc([N+](=O)[O-])c2)cc1 8682554 ULRUVDSCAVVGFC-UHFFFAOYSA-N 473.873 5.181 5 40 JKBB aggregator O=C(O)c1c(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] 12560334 SLQDOJHPBKTUGO-BBQUYBJZSA-N 481.508 5.730 5 40 JKBB CCCCCCOc1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100046003 AEVVCUHCBINIBD-LPYMAVHISA-N 489.484 6.940 5 40 JKBB O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1 408557224 NWKHLXKEVAUMQV-UHFFFAOYSA-N 463.331 6.702 5 40 JKBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(CC)nc32)cc1 6150845 NYLVUZROZBJHIW-QGZVFWFLSA-N 483.572 5.384 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1ccc([N+](=O)[O-])cc1 8989962 YULLWLMIPRONRH-UHFFFAOYSA-N 488.297 6.571 5 40 JKBB O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 9235142 LYHAZDZQHAJYIW-NRFANRHFSA-N 450.292 5.349 5 40 JKBB CCOc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 20183467 OZPWRSWVXVLMNZ-UHFFFAOYSA-N 466.541 6.845 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 32125450 XLWQWTPLIRNOBJ-CYBMUJFWSA-N 484.339 7.476 5 40 JKBB CC(C)Oc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 79190078 WOZQBNMLZNVDAK-UHFFFAOYSA-N 471.557 6.679 5 40 JKBB biogenic Cc1cc(Oc2cc(NC(=O)C34CC5C[C@](C)(C3)C[C@](C)(C5)C4)cc([N+](=O)[O-])c2)ccc1Cl 102442417 PWPYZOLGNLEJTR-FKPKHKENSA-N 468.981 7.284 5 40 JKBB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1 225250165 BVEDIVWBPKGTPL-YBFXNURJSA-N 488.978 5.645 5 40 JKBB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 408562642 RCQUNAJNXHDWJD-ATJXCDBQSA-N 466.346 5.510 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733547 ZCNNIJJTRFUIQU-QFIPXVFZSA-N 481.892 5.616 5 40 JKBB CC(C)c1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408736762 HESQADPMGYPLNW-XMMPIXPASA-N 461.518 5.194 5 40 JKBB O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408750378 MDAFUNSCKATKJZ-UHFFFAOYSA-N 499.957 6.101 5 40 JKBB O=C(Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccccc1 409179214 QIWVENJGUARROV-UHFFFAOYSA-N 468.465 5.996 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1 409212924 SGPMWCZTKIEVLB-VCHYOVAHSA-N 461.282 6.403 5 40 JKBB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 409335010 JNCYWPUAQONMPT-OKILXGFUSA-N 487.990 5.830 5 40 JKBB O=C(Nc1ccc2nc3c(=O)[nH]c(=S)[nH]c3nc2c1)N1c2ccccc2Sc2ccccc21 1804226 LLGIZHSHWRYAPO-UHFFFAOYSA-N 470.539 5.364 5 40 JKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1Cl 2249954 FDMWVEQYYJDDTC-UHFFFAOYSA-N 481.943 5.302 5 40 JKBB CCCOc1cccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1 9510730 FYVZQIXGAWQCGR-DEOSSOPVSA-N 466.493 5.781 5 40 JKBB COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1nc2ccccn2c1[N+](=O)[O-] 12506539 YAZHDEHDQAIWPZ-UHFFFAOYSA-N 482.496 5.544 5 40 JKBB CC(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2Cl)CC1 12651328 JJQMKGIBMNCDSQ-UHFFFAOYSA-N 493.372 5.037 5 40 JKBB Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])n1 13113243 ZSPHFEZNVBETJW-ZJRYTYELSA-N 486.615 5.842 5 40 JKBB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13131256 PHYRKNOFBKDABI-UHFFFAOYSA-N 479.960 6.751 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 33926908 CACWZHSYVDZDDS-KXSOJQAOSA-N 493.519 6.025 5 40 JKBB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 36627513 QRWFRFYRNDKPMX-UHFFFAOYSA-N 453.881 6.083 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 57315911 SLXMXUZUKCSKGA-BMRADRMJSA-N 467.481 5.688 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccco3)cc2)cc1 224760189 OGRJKHNOMWPBGY-GOTSBHOMSA-N 474.567 5.911 5 40 JKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1Cl 408573355 CHRLIVJMMXUWEE-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 409090302 ORFHDSSGKRCLQB-BKUYFWCQSA-N 482.970 6.636 5 40 JKBB COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c([N+](=O)[O-])c1 409182609 NDPNIOLLWMXZJK-HHHXNRCGSA-N 490.512 5.106 5 40 JKBB CC(C)(C)n1ccc([C@H]2C[C@@H](COc3ccc([N+](=O)[O-])cc3)N[C@H]2c2ccc(C(F)(F)F)cc2)n1 2037844379 UPUQWBXYSJGOJK-ZEYPLWLESA-N 488.510 5.831 5 40 JKBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3ccccc3c2)cc1 874635 ZVJPQWSQRUEECT-UHFFFAOYSA-N 471.498 5.236 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 1868331 CKKGUGCBRXICMS-CYBMUJFWSA-N 484.339 7.476 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1OC 8903916 LPFQSGDOSBQULU-UHFFFAOYSA-N 485.452 5.933 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2[N+](=O)[O-])CC1 13362016 UOJCOGGRYMPUHW-UHFFFAOYSA-N 455.518 5.627 5 40 JKBB Cc1ccccc1C(=O)N/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1 16185133 NIOVKXGOEBGJMY-ZTKZIYFRSA-N 456.545 6.711 5 40 JKBB COc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 16227819 QZFFVRBMHWGQNO-UHFFFAOYSA-N 472.501 5.654 5 40 JKBB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 39389019 NRMQZUKKOBNRNF-GOSISDBHSA-N 491.613 6.620 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 113928929 MVLNLIIZKQRFLL-MHZLTWQESA-N 494.507 5.864 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224322346 ZBKDHPOZKUOPTF-LOSJGSFVSA-N 470.554 6.044 5 40 JKBB O=C(O)c1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409140536 FIEAQSNNBGKVRQ-HHHXNRCGSA-N 493.519 5.654 5 40 JKBB CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CC[N+](C)(C)C)c2ccccc12 1876532 GSZBIFLMCOTORX-UHFFFAOYSA-N 469.649 6.734 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nc3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1 2968957 UBJQJMOEWKFFNG-UHFFFAOYSA-N 458.459 5.053 5 40 JKBB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1cccc(C)c1 9305029 YVZMYALDTPHJOP-UHFFFAOYSA-N 494.602 5.344 5 40 JKBB Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nnc1-c1c[nH]c2ccccc12 9469669 CRAHUHFIZBBWAU-UHFFFAOYSA-N 498.568 5.671 5 40 JKBB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269567 IPMDVRQBTUSJOC-UHFFFAOYSA-N 453.351 5.019 5 40 JKBB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 16158021 UIPOTCWZAJGTMQ-GQCTYLIASA-N 470.117 5.089 5 40 JKBB O=C1/C(=C/c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl 20470342 AKMPZALAOLBPLF-JJYYRRLASA-N 485.283 5.486 5 40 JKBB COc1ccc([C@@H]2CC(c3ccccc3)=N/[N+]2=C2/NC(=O)S/C2=C\c2ccc([N+](=O)[O-])cc2)cc1 32594551 JQOXYJDJLCURGZ-IBNIFWCESA-O 485.545 5.361 5 40 JKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294116 TZQYIFXFEVCQCF-UHFFFAOYSA-N 460.880 5.747 5 40 JKBB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 90451209 CRQFTYNWCBABRS-UHFFFAOYSA-N 459.683 5.494 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223365104 DWSZQXMDQHVEHF-XZOQPEGZSA-N 476.514 5.024 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 224476633 ILHNYAWJOONRCL-PKTZIBPZSA-N 476.945 6.080 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409181520 CLAUHTSOUHBMOK-HXUWFJFHSA-N 475.240 5.591 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OCC)cc1 2214214 JXOKWMPMRIQYIQ-UHFFFAOYSA-N 469.545 5.041 5 40 JKBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(C)nc32)cc1 2427201 SSPKZVJZKDYVGJ-INIZCTEOSA-N 469.545 5.130 5 40 JKBB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1 2746160 AJUSZRPQASCJCE-HSZRJFAPSA-N 489.329 5.806 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3288244 CRSZCVCUTKYIES-UHFFFAOYSA-N 497.916 5.329 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1ncnc2ccccc12)c1ccccc1 3297618 FEAIPVUQFOBOAW-HXUWFJFHSA-N 450.907 5.664 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3c(-c4c(F)cccc4Cl)cnc2c31 8792285 WXCAMGNNGCBJMX-UHFFFAOYSA-N 458.876 6.069 5 40 JKBB biogenic C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9441293 PBVCAKQGLYCIQB-CYBMUJFWSA-N 452.850 5.056 5 40 JKBB CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 21595903 OWAOOMSFQZAVJA-DTQAZKPQSA-N 479.496 5.803 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1)N1CCCCC1 44087346 RXHONOHNDRBIKR-UHFFFAOYSA-N 456.955 5.206 5 40 JKBB COc1ccc2cc(-c3c4oc5cc(O)ccc5c4nc4c3c(O)nn4C3CCCC3)c(=O)n(C)c2c1 95480804 QONJOWLEYGGBCH-UHFFFAOYSA-N 496.523 5.385 5 40 JKBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 210816793 LGOCATIRLAFULE-PCLIKHOPSA-N 482.561 6.067 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408556609 JTHXJQSYCPXPEW-UHFFFAOYSA-N 497.813 6.588 5 40 JKBB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408635198 XZDADVNNSQTOLY-XKZIYDEJSA-N 477.498 5.277 5 40 JKBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1[N+](=O)[O-] 408642538 OTWCDGBKNFJIRQ-LJQANCHMSA-N 487.556 5.985 5 40 JKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408733307 XGOUMDKIRCBBQH-UHFFFAOYSA-N 493.950 7.625 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccccc2-c2csc(Nc3cccc(Br)c3)n2)cc1 409379782 ZLRORLOBDDLYEX-UHFFFAOYSA-N 482.359 6.803 5 40 JKBB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[N@@]12 2049251944 UZEAWJJXHFUBFP-JVUUKAHWSA-N 469.932 5.669 5 40 JKBB Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCc2ccccc2)cc1 1464388 JWRLBTKEJLWVGY-KOEQRZSOSA-N 481.508 5.251 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2375733 APARBBIGNAVRFC-UHFFFAOYSA-N 466.372 6.171 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4090991 BTZCJOLINLHSDB-YIXHJXPBSA-N 453.907 5.567 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cccc1[N+](=O)[O-] 8835683 IPBDFYWXLUMXJA-UHFFFAOYSA-N 474.498 5.029 5 40 JKBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)N1c2ccccc2OC[C@@H]1c1ccccc1 12522152 JRXHZNSAGUYISA-AREMUKBSSA-N 462.505 5.227 5 40 JKBB O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 12548725 VMUUKXOXJZWJMX-UHFFFAOYSA-N 492.988 6.827 5 40 JKBB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 16944965 MOXYSYPFSHQBRA-HSZRJFAPSA-N 486.915 5.454 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224474626 LEVQLGXVIFPSAQ-DHIUTWEWSA-N 475.961 5.611 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 225055448 KLQOVDLNVAPPGI-UIOOFZCWSA-N 499.596 5.725 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(F)c1 408564884 AQNHEUUKUNIZAQ-FQEVSTJZSA-N 499.336 6.066 5 40 JKBB CCn1c(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632051 CXFPFMGVBSTFIE-MOSHPQCFSA-N 496.932 6.004 5 40 JKBB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 408683717 NNVLQPYOYUJBHJ-VWNXMTODSA-N 481.508 5.360 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)cc1 408786727 VPMXSRNKIYQADX-GJFKPFFXSA-N 461.543 5.336 5 40 JKBB O=C(NCCSCc1cccc(Cl)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408907158 LQPLCOKJCLZBLR-XQNSMLJCSA-N 452.963 5.838 5 40 JKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 409179987 SLDNBTMFGOXCOM-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB O=[N+]([O-])c1ccccc1COc1ccc(Br)cc1-c1nc(O)c2ccccc2n1 409262190 DDBOLBPHKDPMHJ-UHFFFAOYSA-N 452.264 5.252 5 40 JKBB O=[N+]([O-])c1ccccc1C=Cc1cc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] 2049238512 VYMJPXODFITBKT-IQYMAPIOSA-N 462.374 5.660 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCc2cccc(Cl)c2)nc1NCc1cccc(Cl)c1 9847095 UAKJTELYWATRJG-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 16214701 CMUMBZBMHXJREH-UHFFFAOYSA-N 476.360 5.691 5 40 JKBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 16401724 GPVZYVBVGISIJK-ORSSICPCSA-N 482.492 5.278 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H](c1ccccc1)c1cc2ccccc2o1 32888516 SHHJSULONPRKRY-GDLZYMKVSA-N 458.517 5.807 5 40 JKBB O=C(Nc1ccccc1C(=O)N1CCCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408573370 CXIJXWLXALMXIS-LKUDQCMESA-N 469.541 5.790 5 40 JKBB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408751453 ZPPQFTXKYINEOI-UHFFFAOYSA-N 465.512 5.447 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CC1CCCCC1 409145626 QLKROURJPQVGCX-HYARGMPZSA-N 452.532 5.790 5 40 JKBB O=C(O)c1cc2oc3ccccc3c3ccccc3oc2cc1C(=O)Nc1cccc(Cl)c1 1863770 KMHZPUZWXYOYQN-UHFFFAOYSA-N 457.869 7.061 5 40 JKBB COc1ccc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2-c2ccccc2)c(OC)c1 2718513 ZPYNKKBSILSQLD-UHFFFAOYSA-N 491.525 5.477 5 40 JKBB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3cc([N+](=O)[O-])ccc3OC(F)F)ccc21 3196865 VARIPHXKEKWGIN-KPKJPENVSA-N 451.429 5.976 5 40 JKBB CCc1ccc(-n2c(=O)c3ccccc3n3c(Sc4ccc(Cl)cc4[N+](=O)[O-])nnc23)cc1 3440087 PBSYPHZIWFGPCZ-UHFFFAOYSA-N 477.933 5.309 5 40 JKBB O=c1/c(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)sc2nc3ccccc3n12 6460808 OBWVSOZOBDLJSR-JAIQZWGSSA-N 483.427 5.176 5 40 JKBB O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833176 XETLHARWRAZFIQ-UHFFFAOYSA-N 487.994 5.099 5 40 JKBB CCc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 8836050 CSTTZYGKSSETQR-UHFFFAOYSA-N 493.998 5.915 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2-c1ccccc1 8871110 OWALVRSTTRIOMY-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccc(F)cc1F 12582240 WTNSYKMULLIJGZ-IBGZPJMESA-N 491.244 5.172 5 40 JKBB COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 13786696 OPXXCTJNJCCGJO-QHCPKHFHSA-N 490.899 5.151 5 40 JKBB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14278444 TWUSORFUBPQGHR-UHFFFAOYSA-N 478.512 5.334 5 40 JKBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 20410805 GDJQLMLTRYQVLR-UHFFFAOYSA-N 452.319 5.205 5 40 JKBB C[C@H](NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2 35200733 RATGRQCAHPTIEE-IOAHRDFVSA-N 453.564 5.064 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463635 RHKBWJBNPQXTCZ-UHFFFAOYSA-N 474.498 6.163 5 40 JKBB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 101366798 WQYDQWXISXMQNA-UHFFFAOYSA-N 452.491 6.242 5 40 JKBB COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)cc3)s2)cc1 408832142 QAJGWEYKTVRXLG-UHFFFAOYSA-N 465.918 6.300 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1 408994917 HUYDUSZQOMOQAR-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB COc1ccccc1[C@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1 409120436 VRJOBVHXHPEZLG-MUUNZHRXSA-N 479.536 5.965 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409183864 VUDGUDPYAMDXMF-SANMLTNESA-N 487.895 6.822 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 8831316 CHPMUBZXTSIOMZ-UHFFFAOYSA-N 455.923 5.262 5 40 JKBB O=C(NCCn1cc(SCc2ccccc2Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9391903 CGJVAUCIDJCBIY-UHFFFAOYSA-N 465.962 5.925 5 40 JKBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20142800 VYCSMTMFJWQMKJ-UHFFFAOYSA-N 455.898 5.243 5 40 JKBB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)o1 20847255 JRSARZFQWXXWSH-UHFFFAOYSA-N 498.742 5.256 5 40 JKBB Cc1cc(C(=O)COC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c(C)n1C[C@H]1CCCO1 25398412 BNWDGMOJRAVAFW-HXUWFJFHSA-N 494.569 5.383 5 40 JKBB O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 35165848 CPCVLAVLDOABTR-AALWMKDKSA-N 487.943 5.157 5 40 JKBB Oc1ccc2c(c1)oc1c(-c3ccc4c(c3)OCCO4)c3c(O)nn(C4CCCCCC4)c3nc12 79486661 CEHJTAFQXHSTSN-UHFFFAOYSA-N 471.513 6.075 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 226363980 UKZOICABZCYWJB-UKTHLTGXSA-N 488.952 7.659 5 40 JKBB CCOc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408996227 LOZBQFCPDIATDS-UHFFFAOYSA-N 482.448 5.313 5 40 JKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(-c2ccccc2)nc2ccccc12 3355188 ZOTVAEBMXLGPGS-UHFFFAOYSA-N 457.485 6.518 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccc(Br)cc2)nc2ccccc12 8396396 SRHINQRSECENQA-UHFFFAOYSA-N 493.273 5.733 5 40 JKBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)CC1 20142854 FBVBWSSDSQZNAM-UHFFFAOYSA-N 469.925 5.489 5 40 JKBB Cc1c(O)ccc2c1oc1c(-c3cccc4cccnc34)c3c(O)nn(C4CCCCC4)c3nc12 79492158 LJJIGWCAYJOQLA-UHFFFAOYSA-N 464.525 6.771 5 40 JKBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(-c3ccc(Cl)cc3)nc(C)c2=O)cc1 101289381 NNKZQRVGVSQONG-UHFFFAOYSA-N 490.903 5.030 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 214197901 UXNVFSCUTYUDEN-SRZZPIQSSA-N 452.463 5.847 5 40 JKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 408804560 YJVFTTWSYABBJH-UHFFFAOYSA-N 476.534 5.254 5 40 JKBB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3Cl)oc2c1 1413866 YIJFXLDROKMDFQ-UHFFFAOYSA-N 466.906 5.492 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(C)nc32)cc1 2299824 AVHVTCUCYCOXNT-UHFFFAOYSA-N 461.525 5.039 5 40 JKBB O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 8398621 XXKURPZSVYUCHH-CQSZACIVSA-N 457.528 5.440 5 40 JKBB Cc1n[nH]c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1Oc1ccccc1Br 9282191 GZVCJDDNBSBXHR-UHFFFAOYSA-N 496.317 6.133 5 40 JKBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c([N+](=O)[O-])c1 9460164 XHWAFVMVFKVGIP-UHFFFAOYSA-N 485.541 5.237 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4cccs4)C[C@H](C)C[C@@H]3[C@@H]2c2cccs2)n1 17143482 ZIIBGJLLXHGQHL-ZRNLONBFSA-N 481.603 5.617 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCCC2 20152351 ZOHFBKXYQJUPGP-UHFFFAOYSA-N 496.803 6.488 5 40 JKBB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 72334083 BKVNKWYYRZKPBC-UHFFFAOYSA-N 461.743 6.510 5 40 JKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225698479 RXNIGIUVPMQHHA-YWZLYKJASA-N 480.392 5.166 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408733014 VBBUXNYLZMBLHN-UHFFFAOYSA-N 459.505 6.972 5 40 JKBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccc(OCc2ccccc2Cl)c1 2061359 SUHXKUMGLFVHNK-NHDPSOOVSA-N 469.280 5.825 5 40 JKBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1 2250027 QFJIDXVZBIFFBW-UHFFFAOYSA-N 481.943 5.053 5 40 JKBB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 9296160 STWJSNQZDJWMQV-IWIPYMOSSA-N 474.586 5.330 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 10119813 JCIYMZWVCASJJN-UHFFFAOYSA-N 496.317 5.745 5 40 JKBB COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] 22753394 BSQIZVBFCAZMKY-UHFFFAOYSA-N 494.554 5.021 5 40 JKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 408559900 WZLIKZYBFGBSPC-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1 409179074 MYSBMYIQWDITOM-UHFFFAOYSA-N 482.492 6.305 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1 2080559 OQKANZNSIQHMHG-RGVLZGJSSA-N 481.442 5.008 5 40 JKBB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])c(C)c2)c1 2110483 VDINKGAMNBIDDV-AREMUKBSSA-N 473.529 5.216 5 40 JKBB biogenic,in-vitro COc1cc2c(C(=O)c3ccccc3)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C 5224358 MYSNZENUPZGNLK-UHFFFAOYSA-N 457.526 5.251 5 40 JKBB biogenic O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 8398614 XXKURPZSVYUCHH-AWEZNQCLSA-N 457.528 5.440 5 40 JKBB CC1(C)CC(=O)c2c(oc3c(Cl)cc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc23)C1 8763571 VZZHQAOUXXLKHR-UHFFFAOYSA-N 483.329 5.604 5 40 JKBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8901475 BWPLVVYTYHITMA-UHFFFAOYSA-N 496.523 5.070 5 40 JKBB O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1 12377059 ZUGDWOPLVJVNSB-UHFFFAOYSA-N 482.927 7.014 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(F)cc1Cl 16214742 WOPSFIYIOLNGTG-UHFFFAOYSA-N 494.350 5.830 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595464 QGVXERSGUXUAOE-UHFFFAOYSA-N 484.320 7.177 5 40 JKBB COc1ccc(-c2csc(/C=C\c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)n2)cc1OC 35328952 BUZQKADDFDNFMH-UITAMQMPSA-N 480.571 5.791 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)sc2c1 57315996 IYNQDFTZOSGMSZ-UHFFFAOYSA-N 486.597 6.669 5 40 JKBB C[C@]12C3=CC=C1C=C(C1=CC4=CC=C5C=CC=C6C=CC(=C1)[C@]6(C)[C@]54C)C=C1C=CC(=CC=C3)[C@@]12C 68568380 RYWSNCXNRIKLDP-IHAKKMGISA-N 462.636 8.609 5 40 JKBB Nc1ccc2nc3cc(Nc4ccccc4)/c(=N/c4ccccc4)cc-3n(-c3ccccc3)c2c1 104322365 MQJDQAXDVFYIPJ-MUGXBBEHSA-N 453.549 6.689 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 223880981 VQCYRGUTTFWNHL-GOTSBHOMSA-N 458.499 5.133 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 224278484 COODTFVAJXJTDQ-RPBOFIJWSA-N 469.570 5.574 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224409554 FIGJZTWEVLKYGI-PKTZIBPZSA-N 459.506 5.097 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(Cl)cc1 408567592 GWZQENKZSWYNDR-QHCPKHFHSA-N 480.977 5.918 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1)Sc1nc2ccccc2[nH]1 408635165 XMIYDOULDJOQTA-WSVATBPTSA-N 476.297 6.256 5 40 JKBB O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc12 408757274 LNHSMFDEYOBTDC-UHFFFAOYSA-N 493.906 7.099 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 409189604 RJUAYUSUBSPLDG-ZDLGFXPLSA-N 461.282 6.403 5 40 JKBB Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccnc1 2622430 WDZLTNSNPBVRII-OAHLLOKOSA-N 494.964 5.319 5 40 JKBB CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc12 3229832 LLTDVAALNIELAN-UHFFFAOYSA-N 471.387 6.996 5 40 JKBB COc1ccccc1C(=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(C)cc3)nn21 9057653 SDGNMCQLOSUSKG-UHFFFAOYSA-N 458.521 6.272 5 40 JKBB Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccccc1)C(C)(C)N2C(=O)c1cccc([N+](=O)[O-])c1 9334525 IMVUFBKRFBEBPN-PNHLSOANSA-N 487.606 6.821 5 40 JKBB Cn1c(Sc2ccc(C(=O)c3ccccn3)cc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 9614314 VUGKRRKDUBDMPH-UHFFFAOYSA-N 473.558 5.465 5 40 JKBB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 12633980 BYHPAMANVXFJGX-UHFFFAOYSA-N 454.523 5.089 5 40 JKBB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)cc3)c2O1 15881191 OIEKLXHVMQMAEW-UHFFFAOYSA-N 452.894 5.793 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cccc1[N+](=O)[O-] 16250136 ASFYLACCXGOYOI-UHFFFAOYSA-N 464.528 5.012 5 40 JKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(=O)N2CCc3ccccc32)cc1 44086550 CMCFWPPUZZNRDW-UHFFFAOYSA-N 470.554 5.437 5 40 JKBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 57317031 NGGLVDOHHOONRR-UHFFFAOYSA-N 470.323 5.148 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(-c2nc3ncccc3o2)cc1 57333752 BMYQHDCYSGILLZ-WYMLVPIESA-N 466.453 5.388 5 40 JKBB Cc1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])cc1C 100237464 XJUPGOPQFSBWJU-OOIQZMFUSA-N 476.532 5.635 5 40 JKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 214046617 BJTZUPPAYMKCIB-CIAFOILYSA-N 477.454 5.532 5 40 JKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223858188 PJJSSIAGBRAQDK-HXUWFJFHSA-N 480.392 5.168 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 409002183 YSVDSLWKYYCREJ-IGBKUBFESA-N 482.967 7.298 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c([N+](=O)[O-])cc1C 409354100 YCRCHKRNGQRXFX-FBHDLOMBSA-N 486.908 6.501 5 40 JKBB O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 711145 HNWSKTXTHGFROW-UHFFFAOYSA-N 494.482 6.631 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(Cl)ccc2C)cc1 2246603 QCYMODUWVYFUFR-UHFFFAOYSA-N 479.971 5.911 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1 2258048 QJHGLTMGHRYWAQ-UHFFFAOYSA-N 479.971 5.856 5 40 JKBB O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 4014452 IFZJRINLFSSTQO-UHFFFAOYSA-N 461.261 5.674 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 9075393 SRLUQNQQGCXAOS-UBFVSLLYSA-N 499.910 5.453 5 40 JKBB Cc1ccc(C(=O)CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1[N+](=O)[O-] 9470720 ORPVLFRFQUDZLC-UHFFFAOYSA-N 478.505 5.177 5 40 JKBB COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2-c2ccc(OC)cc2)c1C 9739878 LCGXDCUIJMSQPO-QGZVFWFLSA-N 452.507 5.158 5 40 JKBB COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 13138085 QMZCOLQSWSDLSN-UHFFFAOYSA-N 485.899 5.151 5 40 JKBB O=C(COC(=O)c1c2c(nc3ccccc13)CC[C@H](c1ccccc1)C2)c1cccc([N+](=O)[O-])c1 13575308 GHMGFXPHKFOHGG-IBGZPJMESA-N 466.493 5.455 5 40 JKBB Cc1cccc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)c4c(ccc5ccccc54)n3)cc2)c1 59417682 HJTFBYDBJIGJAN-UHFFFAOYSA-N 464.568 8.283 5 40 JKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408631742 BLOSTCUWZLTYKR-CPNJWEJPSA-N 485.953 5.241 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 408728832 UXYMLCMGWWQXEY-LKSLQULUSA-N 478.504 5.027 5 40 JKBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccccc1 408845713 RAVLUKDROFJDGO-UHFFFAOYSA-N 491.912 5.363 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 1852879 KGQFLSUVHKZIAY-AWEZNQCLSA-N 479.920 6.831 5 40 JKBB O=C(Nc1cccc(C(=O)Nc2cccc3ccccc23)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4132723 SRYUTJFUZVOYOT-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB O=C(Oc1c(Br)cc(Br)c2cccnc12)c1cc([N+](=O)[O-])ccc1Cl 11613927 CPCDDQXXWRSMRR-UHFFFAOYSA-N 486.503 5.541 5 40 JKBB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3sc4ccc(Cl)cc4c(=O)c3c2)cc1 12401526 ITDRAHGUNMJBNK-INIZCTEOSA-N 450.003 7.009 5 40 JKBB CN(C)C1(CNC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 13096528 FWTQNJRIKGPLGE-UHFFFAOYSA-N 481.540 5.759 5 40 JKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)cc1 13644162 IFKMIGWPRKEGGE-UHFFFAOYSA-N 495.486 6.362 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1F 16214951 ICWWFTKKOQOZOG-UHFFFAOYSA-N 459.905 5.177 5 40 JKBB O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)c2ncccc12 29620591 WIXHYHCDQITEEL-UHFFFAOYSA-N 453.546 5.077 5 40 JKBB O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1CCc1ccccc1 40398717 QAWFJEFABDXKPW-UHFFFAOYSA-N 462.336 5.250 5 40 JKBB O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 59474818 LHVYIWAZNZZAFZ-AWNIVKPZSA-N 490.566 5.587 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106716960 YCYQIDRZIZRHLF-WCSRMQSCSA-N 478.140 6.445 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106726837 CYCXDZYXGZUBNT-UUYOSTAYSA-N 498.919 6.203 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215247360 BHVSAXGJGJJSDN-LPYMAVHISA-N 491.481 5.319 5 40 JKBB C[C@@H]1[C@@H](n2c(=O)c3ccc4c(=O)n([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c5ccc(c2=O)c3c45)CCC[C@H]1C 248129313 AASLOMJBKLCZLF-WMSUFPGBSA-N 486.612 5.060 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1 408567070 GGQKWOIUEGGFCR-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1Cl 408567205 GSJOHARNTFKVIY-SFHVURJKSA-N 483.377 5.400 5 40 JKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 408608960 XVPYSUHJNNAJNM-XBXARRHUSA-N 478.288 5.395 5 40 JKBB C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408978418 ZQGCXPUKXMFCCR-INIZCTEOSA-N 456.509 5.863 5 40 JKBB CC(C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409022741 RMWGZXFOGGTTKS-VCHYOVAHSA-N 477.336 5.381 5 40 JKBB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409023231 ZDCBYPNFTXIYIP-VCHYOVAHSA-N 462.911 5.281 5 40 JKBB Cc1ccc(NC(=O)c2c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc3c2CCCC3)cc1 409057190 UUFDIXZRWIPWRY-UHFFFAOYSA-N 465.531 5.113 5 40 JKBB Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409113685 FTDGGSCBXWZYNG-UHFFFAOYSA-N 461.743 6.510 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccccc2-c2nc(O)c3c4c(sc3n2)CCCC4)c([N+](=O)[O-])c1 409261041 AJSIEUGVLWTIEU-UHFFFAOYSA-N 464.459 5.551 5 40 JKBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1c2ccccc2cc2ccccc12)c1ccc2c(c1)OCO2 671505 FBTUROOZKKRBIG-NDEPHWFRSA-N 487.515 5.633 5 40 JKBB O=C(NCc1ccccc1)c1c2nc3ccccc3nc2n2c1nc(O)c1c3c(sc12)CCCC3 2325150 DPEUNDGHMUIMFR-UHFFFAOYSA-N 479.565 5.160 5 40 JKBB Cc1noc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1-c1ccc(Br)cc1 8767673 RJTCONYOHVUZLU-UHFFFAOYSA-N 481.302 6.272 5 40 JKBB biogenic CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9007931 IYQXIDMUFBFCBY-VWLOTQADSA-N 487.541 5.079 5 40 JKBB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9584824 IKEHWHXSMCKHJX-LBPRGKRZSA-N 484.588 5.433 5 40 JKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 12542740 BGJMOSVLYCJILU-UHFFFAOYSA-N 480.565 5.250 5 40 JKBB O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2)c1 408558699 VGZDLTSKUUVQKT-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1C 409170731 XKRAPYMCOQKWGY-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 409370588 AVXQTNGBEXMBDT-CAZKKTPXSA-N 498.844 5.144 5 40 JKBB COc1c2c(cc3c1[C@@H](CC(=O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 1815972 LGRJPKHZNMLPAF-YADARESESA-N 492.680 6.274 5 40 JKBB biogenic Cc1cccc(NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)NC(=O)c2ccccc2)c1 2285673 XQZMCNYUPKNSCN-BRPDVVIDSA-N 456.545 6.711 5 40 JKBB COc1c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc2ccccc2c1Br 8833230 ZXVUYIWXWBDPRP-UHFFFAOYSA-N 494.754 5.299 5 40 JKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OCc2ccccc2)cc1 8835229 CCHFFYOGSFKWCQ-UHFFFAOYSA-N 486.347 5.063 5 40 JKBB CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509758 LLNVFGDSLUCAJN-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 13512085 SUJWCXCFKXLHTM-UHFFFAOYSA-N 475.460 7.069 5 40 JKBB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1 13946206 MITNUJMFODEYPC-DTQAZKPQSA-N 467.481 6.067 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1 16487867 ZWENDLTYXXCZMZ-UHFFFAOYSA-N 457.511 5.366 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1nc(SCc2ccccc2)ncc1Cl 27020812 BARPQSCILXRIDB-UHFFFAOYSA-N 479.743 5.345 5 40 JKBB O=[N+]([O-])c1cc(Oc2c(F)c(F)c(Oc3ccc(O)c([N+](=O)[O-])c3)c(F)c2F)ccc1O 98086366 QWYYEDHTFYGBHO-UHFFFAOYSA-N 456.260 5.055 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408921010 BADYWCNREVZIJT-AWNIVKPZSA-N 492.340 5.354 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 409171586 AHYMTXRWVCUTCF-UHFFFAOYSA-N 494.459 5.545 5 40 JKBB COC(=O)c1ccc(Sc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c([N+](=O)[O-])c1 2088062 JUPGNMSMCYJPIH-UHFFFAOYSA-N 493.566 5.172 5 40 JKBB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 8717642 IBQFWMBTLOMZAQ-WIYYLYMNSA-N 454.280 5.501 5 40 JKBB C[C@H](OC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 12311709 OTKCOWCTUUTXNF-KFWWJZLASA-N 494.375 5.568 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1F 16195884 AZNKIXSZZCNMCP-UHFFFAOYSA-N 494.350 5.830 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 20807818 KMMCIVBOYHAAQL-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 214160135 WRSSWASQCOKYOD-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224479563 XNSGEZIKGYPCIL-FQEVSTJZSA-N 498.432 5.078 5 40 JKBB COc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1 409105849 LJVWYDMOLKFKTF-UHFFFAOYSA-N 473.436 5.416 5 40 JKBB COc1cc(C=Cc2cc(/C=C/c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 2049238491 GKVKPJCQVGGHRF-OJQZMLLLSA-N 464.430 5.272 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 14274564 IRCLXVRJPPVGQY-WEVVVXLNSA-N 492.340 5.697 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 72229997 VYIZDDLGZKKIDW-DEOSSOPVSA-N 465.937 5.573 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 214136863 XOWQJBVYXBLWHS-RGVLZGJSSA-N 470.890 5.753 5 40 JKBB CCCc1nc(S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408633413 YGBZPKYVFLRIRK-LDADJPATSA-N 456.549 5.343 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)cc1 6446942 AKXBTPBUZMMQFO-UHFFFAOYSA-N 465.250 6.049 5 40 JKBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 9129479 YKDMVMOXGMXKIW-UHFFFAOYSA-N 491.529 5.423 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372885 FSIJURRUMLVTMW-UHFFFAOYSA-N 473.554 6.331 5 40 JKBB CCOc1ccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)cc1 13643565 HSEBUDOKDFDSRK-UHFFFAOYSA-N 471.542 5.742 5 40 JKBB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 21595551 ZFXYGLSVXAKMFI-DHZHZOJOSA-N 465.937 6.396 5 40 JKBB O=C(O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc1 95479738 UEWIENITROKVCA-UHFFFAOYSA-N 457.486 6.002 5 40 JKBB CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 408565105 BEMBSPODMSAFGU-LJQANCHMSA-N 477.384 5.155 5 40 JKBB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 408644234 SCUMVBOJMJCCSS-IBGZPJMESA-N 473.529 5.811 5 40 JKBB COc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408978183 YRGABCMRSRJWAB-UHFFFAOYSA-N 462.538 5.697 5 40 JKBB CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3cccc(C)c3)c(=O)c2c1C 409114500 HUBKREWGRMLYNC-UHFFFAOYSA-N 465.600 6.217 5 40 JKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 409180582 XJAMSGKOBDRWEQ-DEOSSOPVSA-N 466.877 5.134 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1I 409180855 SSFOGOJGSCBWKH-UHFFFAOYSA-N 475.238 5.349 5 40 JKBB Cc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21 2247992 PRPJVGSWMKTPQH-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474714 NIBQUDGFTQCABG-UHFFFAOYSA-N 497.536 5.432 5 40 JKBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Br)o2)cc1Cl 8835228 UCKQMXLJZYFHKZ-UHFFFAOYSA-N 494.754 5.706 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 8898898 FVMGXBIHDVLLTK-UHFFFAOYSA-N 474.325 6.196 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1[N+](=O)[O-] 8903844 OQKUKEBDNCKCRN-UHFFFAOYSA-N 463.446 5.071 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(Cl)c1 16401811 OMXPZVIMKXBMDQ-UHFFFAOYSA-N 480.779 6.336 5 40 JKBB O=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(Nc3ccc(Cl)c(Cl)c3)nc2c1 17207187 CAQUVGYCWDIOHP-UHFFFAOYSA-N 495.153 7.639 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214587858 SMCRXAHUMPGOBG-ZVHZXABRSA-N 490.537 5.727 5 40 JKBB O=C(COc1ccc(Cl)cc1Cl)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409172403 HISCMLRGQFFLOC-JOCHJYFZSA-N 460.269 5.448 5 40 JKBB Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1 409183667 UBCQVBBYYALGLO-HHHXNRCGSA-N 494.503 5.937 5 40 JKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1C 409205241 GQYABLNALAQQOK-QPLCGJKRSA-N 488.525 5.595 5 40 JKBB CCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccccc1-2 2093175 WBXRKCPKVRMARF-NRFANRHFSA-N 461.503 5.712 5 40 JKBB CCc1nc2c(c(=O)n1[C@H](C)c1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2217994 XKRZCCHGNFZKPT-GOSISDBHSA-N 477.543 5.654 5 40 JKBB COc1ccc(-c2nc(-c3ccc(Cl)cc3)c[n+]3ccc4cc(OC)c(OC)cc4c23)cc1OC 12371358 VZIODCJMJABZKC-UHFFFAOYSA-N 487.963 5.995 5 40 JKBB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 13109909 GEIYEVLQMWICMM-UHFFFAOYSA-N 466.902 5.920 5 40 JKBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])C1 13525339 AHKFDJHLDZNGGD-KBPBESRZSA-N 465.333 5.424 5 40 JKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14278498 BVLWGUGRQXGNEW-UHFFFAOYSA-N 481.512 6.273 5 40 JKBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 16637063 AHBQOSWBAOZAEF-WEVVVXLNSA-N 481.361 5.167 5 40 JKBB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1-c1nc2ccccc2o1 57313258 YRLWOVZLMVLLNE-JQIJEIRASA-N 465.465 6.623 5 40 JKBB CC1=NN(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 59482990 MZINCGZQTYLKQV-MUUNZHRXSA-N 491.576 6.565 5 40 JKBB O=C(O)c1cc(-c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)nc2ccc3ccccc3c12 59639198 YHWUJLRWHJSWQC-UHFFFAOYSA-N 468.723 7.973 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nc2ccccc2o1 408632946 HXZLFUKVWQYNSU-ZDLGFXPLSA-N 487.287 5.976 5 40 JKBB CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409120096 VBPJMXUCSRZGEA-UHFFFAOYSA-N 471.351 6.256 5 40 JKBB O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 2221655 CSRHCVRIRXZOGY-UHFFFAOYSA-N 497.330 5.292 5 40 JKBB O=C(COC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 3255774 BNZCZYBLGIDSAM-UHFFFAOYSA-N 468.487 5.535 5 40 JKBB CCCC(=O)Oc1cn(CCc2ccc(OC)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9242729 IPCUWWQHUBXZSQ-UHFFFAOYSA-N 470.573 5.747 5 40 JKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1 14272534 TVVSGJYJMULAAD-UHFFFAOYSA-N 453.454 6.532 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 14274989 BINRWQFIYGYBCH-ZZXKWVIFSA-N 496.759 6.341 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 15945200 SCHQUSPABOHNEB-QKKBWIMNSA-N 451.548 5.921 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 32109342 PNEGHMIDBNNMMG-UHFFFAOYSA-N 466.906 5.492 5 40 JKBB c1ccc2c(CCCCCCCc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1 34497989 YDTZWEXADJYOBJ-UHFFFAOYSA-N 454.617 8.825 5 40 JKBB COc1ccc(-c2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1 59489572 JXTBJLHPQYHPCL-UHFFFAOYSA-N 457.515 5.625 5 40 JKBB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223446155 FNQASHCNXUWEIF-DQEYMECFSA-N 486.553 5.431 5 40 JKBB CCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(C)cc3)c(=O)c2c1C 409112276 KZKSYOIDYPIFQJ-UHFFFAOYSA-N 451.573 5.827 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1C(=O)c1ccccc1 409175763 CHCCARCMQDPJPG-UHFFFAOYSA-N 453.450 5.975 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409190224 MQJKINAEVANPDD-KVGZNFPRSA-N 498.491 5.265 5 40 JKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)cc2)cc1 2253487 LKZICPIAJQQAHR-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 10059780 ICNKPEAPFTZAJC-NHCUHLMSSA-N 459.893 5.221 5 40 JKBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)cc2[N+](=O)[O-])C1 12600076 HITLNMBPTRDYHD-GHMZBOCLSA-N 491.202 6.943 5 40 JKBB COc1ccccc1-n1c(SCc2cccc(Oc3ccccc3)c2)nc2cc([N+](=O)[O-])ccc21 12601245 KZYJBXDPIPXVPB-UHFFFAOYSA-N 483.549 7.027 5 40 JKBB CCOc1ccc(N(C)c2ccc(/C=C/c3ccc4c5ccc(C)nc5ccc4[n+]3C)cc2)cc1 16691598 FBJLTDSKYVDOAD-UHFFFAOYSA-N 460.601 6.858 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 22562637 VUVCIBBFXNXOKC-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102453401 AJBNXOLLKFBPFF-SANMLTNESA-N 498.608 7.258 5 40 JKBB Cc1ccc(C[N+](C)(C)C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 226069537 FUGKAFIGQLADNH-AREMUKBSSA-N 456.691 5.742 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 226333891 CRYDTGWOULSLPD-CTHUERKZSA-N 460.961 7.124 5 40 JKBB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 408693692 BXOGTHRBISAFHE-UHFFFAOYSA-N 468.300 5.710 5 40 JKBB C[C@@H](NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 409115269 IFEQAJFMZDIWCS-HKSLHJNNSA-N 491.547 6.265 5 40 JKBB O=C(O[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Cl)c1ccccc1Cl 2275358 VYQFAMTUTNWIAF-HXUWFJFHSA-N 491.377 7.159 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2285008 NGWVNEXLXTXQOB-UHFFFAOYSA-N 476.378 5.626 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 8833093 WWUOZCXZYOSLPN-WEVVVXLNSA-N 492.340 5.697 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12)c1ccccc1[N+](=O)[O-] 9518377 ZLCZBOFEMAXKGL-UHFFFAOYSA-N 453.813 5.638 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 9592130 YGXOLCNNJAUVLF-CQSZACIVSA-N 478.505 5.472 5 40 JKBB C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12585779 DEKWIKLSVGVVIY-AWEZNQCLSA-N 453.436 5.189 5 40 JKBB COc1ccccc1-n1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)nc2cc([N+](=O)[O-])ccc21 13063148 GJCMWGZOQLHHBR-HNNXBMFYSA-N 496.976 5.565 5 40 JKBB COc1ccccc1N(C(=O)c1ccc(C)c(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 13097880 OCPCFXQUSWZUPA-UHFFFAOYSA-N 459.527 6.322 5 40 JKBB CCCCc1nc2c(C)c(NC(=O)c3ccc(Cl)cc3)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500044 BBXRDZOKXVCYJH-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccco1 102788389 FIXAMUNRUJXBJH-QLXKLKPCSA-N 457.486 6.148 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745932 UKULJVRAPPNXKM-OYKKKHCWSA-N 469.522 5.834 5 40 JKBB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1 408677669 DXWDLROCFFQEKG-RPBOFIJWSA-N 481.508 5.360 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2cccnc12 1266504 WNXPCNMSQDCZJI-UHFFFAOYSA-N 456.457 6.805 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 8620697 ULZNGLYUMZTEEN-SAPNQHFASA-N 483.480 5.327 5 40 JKBB CCC(=O)Nc1ccc(-n2cc(OC(=O)CC)c3c2nc(CC)n2c4ccccc4nc32)cc1 8871236 VNYBBLQSJFRRAK-UHFFFAOYSA-N 455.518 5.053 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 13817491 QEKIEKMHKQUNFP-WWQFTLRMSA-N 499.592 5.030 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1cccc2ccccc12 102761715 DBBQJJJRVZFRHU-DSITVLBTSA-N 499.910 5.453 5 40 JKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4N(CC[N+](C)(C)C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 103941719 VUNLYSHYFRFNNU-PPTXFWRFSA-N 471.794 7.130 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 408572373 QYSDFXHQVGDYMS-XMMPIXPASA-N 460.559 5.573 5 40 JKBB O=C(Nc1cccc(I)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408620870 MPUGNNREHUFYBV-UHFFFAOYSA-N 468.634 5.365 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1cccc(Br)c1 408823248 DMUOROKMERVPAS-UHFFFAOYSA-N 480.343 6.400 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccc(F)c1 408824526 IAUWYQPKUNCHPJ-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 409002062 SFSLBAIIHUNPPE-ZHACJKMWSA-N 459.418 5.537 5 40 JKBB CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c2ccccc21 409112110 KEARZTMQEULUFL-JCMHNJIXSA-N 493.357 6.234 5 40 JKBB O=[N+]([O-])c1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)s2)ccc1Cl 3328378 IBMBXBDOOYCUBY-UHFFFAOYSA-N 496.357 5.451 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc(OC)c1OC 9404643 ZQZCSTCVESRLMW-LJQANCHMSA-N 466.921 5.923 5 40 JKBB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc2c1 9829745 LQFBJISAVHMUMY-UHFFFAOYSA-N 454.895 5.109 5 40 JKBB CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c1)n2CC 12546590 AZFVBHQBOXVDQP-UHFFFAOYSA-N 461.543 6.268 5 40 JKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C(F)F)cc(C)c6c5ncn4n3)o2)cc1C 13644032 XULMFOYCOCZHTQ-UHFFFAOYSA-N 491.523 6.589 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)c(Cl)c1 16399619 XXUVODAJWJRGPL-UHFFFAOYSA-N 480.779 6.336 5 40 JKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 22745040 KBVOSJJZPPZIDP-UHFFFAOYSA-N 487.339 6.234 5 40 JKBB COc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 33537472 HSGBBAZUTQPNOY-UHFFFAOYSA-N 479.396 5.352 5 40 JKBB CCc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 36636102 BMQPNMDZRZVTKY-SIKLNZKXSA-N 468.307 5.755 5 40 JKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCCC1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634760 UBVOAKLGXBCYOV-XSFVSMFZSA-N 499.980 5.632 5 40 JKBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409105920 JZLSBEXYGDCSFL-DTQASYIRSA-N 496.419 5.004 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccccc2Cl)cc1 2246459 PPHITQYEJHETCL-UHFFFAOYSA-N 479.971 5.661 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 8892440 WJQDDQVEJHZULW-UHFFFAOYSA-N 470.451 5.193 5 40 JKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 9192511 LEIZLZIFLQTXJU-GFCCVEGCSA-N 452.345 5.870 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1 9289042 FZYWEMXLWQDXTE-FCHUYYIVSA-N 459.893 5.221 5 40 JKBB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC)cc1 13871602 QPIJPSIKJDHFPI-AWEZNQCLSA-N 489.985 5.293 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 14274560 JKKQXHNKVPUKQE-XBXARRHUSA-N 496.759 6.341 5 40 JKBB Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 20295270 DGEFBRCGAPPJBM-UHFFFAOYSA-N 470.287 6.817 5 40 JKBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 33914366 TWHRUEBSETZMFV-YCAMKHIRSA-N 475.342 5.345 5 40 JKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 100187088 CRGLESUARFMDBY-VCKVZLKQSA-N 478.504 5.027 5 40 JKBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 138673631 HNYADDICHTXWIO-VUGDJXFHSA-N 480.611 5.884 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)o1 214623678 IPXOCWZETPTQLM-CIAFOILYSA-N 450.472 5.408 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)Oc1ccccc1Cl 409155760 MQDPYJDJWAEVGA-CQSZACIVSA-N 475.958 5.039 5 40 JKBB CCCCCN(CCCCC)[C@@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729676 NOUFWEXHTCTUAU-CCLHPLFOSA-N 470.495 7.860 5 40 JKBB CCCCOc1cc2nc3c4cc(Br)ccc4n(CC)c3nc2cc1OCCCC 1822257 LUVZIKYGZFGYBH-UHFFFAOYSA-N 470.411 6.878 5 40 JKBB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 2266376 INNWFGAQKGNTHS-IZZDOVSWSA-N 470.597 6.418 5 40 JKBB O=[N+]([O-])c1ccc([C@H]2[C@@H]3C(c4ccc(Br)cc4)=Nc4ccc([N+](=O)[O-])cc4N23)cc1 8398041 ILALARCXWHALIM-GAIPOIILSA-N 465.263 5.330 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] 8833366 RPSGHAAEMVYGKH-UHFFFAOYSA-N 495.948 5.317 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1C 9130534 ZNWAMFZKOXIHTB-UHFFFAOYSA-N 473.558 5.499 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 9518378 OWGLXHVGAZNMOP-UHFFFAOYSA-N 453.813 5.638 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 13856271 JVGBREIRNJXKCC-UHFFFAOYSA-N 487.899 7.186 5 40 JKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1c1ccccc1 15011680 ZQNMEXHMXDVBOH-UDWIEESQSA-N 463.427 5.536 5 40 JKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 18057076 GDTISWHJGTWRDK-PHBHNISSSA-N 493.951 5.566 5 40 JKBB aggregator O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(Br)c(O)c(Br)c1 32116792 HGUHZABUHILUBW-DUXPYHPUSA-N 476.508 5.131 5 40 JKBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 57313833 HKMKVXDIJJUOOW-ZRDIBKRKSA-N 486.513 5.290 5 40 JKBB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 59428139 NKBFHQIFXDKILA-UHFFFAOYSA-N 472.613 6.337 5 40 JKBB COc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1Cn1cc([N+](=O)[O-])cn1 100951005 UQINBBCJUOGENP-RUZDIDTESA-N 473.533 5.720 5 40 JKBB Cc1ccc(Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 102129666 WJBMJHGWNXZACV-UHFFFAOYSA-N 471.813 5.369 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 214795216 PMTGXBBOJCUGKI-KEBDBYFISA-N 489.336 6.707 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2)cc1 216380094 RHCUVGKXLOSDKW-UHFFFAOYSA-N 477.586 6.017 5 40 JKBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 222309695 CRGLESUARFMDBY-FOCFSEODSA-N 478.504 5.027 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 224287334 CMSHGVYFKWFLKV-DQEYMECFSA-N 470.554 6.044 5 40 JKBB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])c1 409180423 SHWVROJJHITGAH-UHFFFAOYSA-N 475.284 5.276 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 409233539 SUCYJMXWYHHGMK-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB COc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1OCc1ccc([N+](=O)[O-])cc1 2083669 KRWCFTFDIGYVCY-OYKKKHCWSA-N 480.476 5.680 5 40 JKBB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1Cc1ccc(C)cc1 2661975 QXDPMKVRFQAAAI-VWLOTQADSA-N 487.581 5.352 5 40 JKBB Cc1nn(-c2ccccc2)c(OC(=O)/C=C/c2ccccc2)c1Sc1ccccc1[N+](=O)[O-] 3193367 CVIXBEDZNWENCR-WUKNDPDISA-N 457.511 5.859 5 40 JKBB O=C(Nc1cccc(Br)c1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 3666207 DCGINMYLONWJMW-UHFFFAOYSA-N 481.224 6.421 5 40 JKBB Cc1cc(C(C)(C)c2ccc(Oc3cccc([N+](=O)[O-])c3)c(C)c2)ccc1Oc1cccc([N+](=O)[O-])c1 9426040 VHEVZUZFMKDJDG-UHFFFAOYSA-N 498.535 8.030 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 18193029 CYNRGJAVRBUWSJ-SDNWHVSQSA-N 469.428 6.454 5 40 JKBB CSc1ccc(CN(Cc2ccc(SC)cc2)[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 32925374 VPUICQZXBVWLTH-DQEYMECFSA-N 484.643 5.135 5 40 JKBB Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 408564816 AJYTVVXRXJGSBC-QFIPXVFZSA-N 465.347 6.226 5 40 JKBB O=C1N/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 408934586 LYOYQEWHVNOFOL-ODLFYWEKSA-N 494.847 5.042 5 40 JKBB CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409101852 ZEQUHKFLYUEZQA-LICLKQGHSA-N 493.335 5.001 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CCc1ccccc1 409215102 ZTULFEOTDJSGGO-DEDYPNTBSA-N 454.891 5.787 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)c4cc(Br)ccc4n3)CC2)cc1 8817378 GCDDAZDSKGTHMM-UHFFFAOYSA-N 490.361 5.294 5 40 JKBB CCOc1cc(/C=C2\SC(=S)N=C2O)cc([N+](=O)[O-])c1OCCCOc1cccc(C)c1 8993770 FYDHAQLAVLWLNE-UYRXBGFRSA-N 474.560 5.479 5 40 JKBB COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1OC 9019754 QDIXKEGDBTYJGN-ATPOPXNDSA-N 490.943 5.253 5 40 JKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14277493 HGQRRAAQFHCGEC-UHFFFAOYSA-N 474.542 5.733 5 40 JKBB O=C(c1ccccc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 33716137 XBOBHRFVHCOBMV-BOSJPIGCSA-N 482.496 5.940 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(F)cc1 214216191 CYWDDFKRNJNKIJ-LPYMAVHISA-N 464.474 5.549 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223918403 JKNXNTMNWYRXGA-DQEYMECFSA-N 485.569 5.493 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1c[nH]c2ccccc12 408564809 AJUUTNLPAZGWGF-NRFANRHFSA-N 485.765 6.571 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(F)c1 408572983 RZZJTMCGZCGAGC-FQEVSTJZSA-N 454.885 5.957 5 40 JKBB COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 408621483 OFJDIGRMMVMFHQ-UHFFFAOYSA-N 471.307 5.506 5 40 JKBB CCCC/C(Br)=C(/Br)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1600699 QOICWSKPFGEAMF-YPKPFQOOSA-N 480.109 5.242 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C 1771126 PYTSDODCSZRKGK-SKCUWOTOSA-N 499.611 7.079 5 40 JKBB O=[N+]([O-])c1ccc(Oc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)cc1 3284379 JYAIGSDHGBGPKD-UHFFFAOYSA-N 469.975 6.826 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 9367611 XPQOAJQFZDHSSL-DTQAZKPQSA-N 455.495 5.601 5 40 JKBB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 14272391 ZQKOHCFOIXSUCN-UHFFFAOYSA-N 470.529 6.126 5 40 JKBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ccccc2C)cc1OC 15276823 NFQUPIQXBPZGHA-RQZHXJHFSA-N 475.570 5.926 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1 20140679 OVXTWWNJUJRIMO-UHFFFAOYSA-N 468.849 5.521 5 40 JKBB Cn1ccnc1Sc1ccc(/C=C2/CCCCc3c2nc2ccccc2c3C(=O)O)cc1[N+](=O)[O-] 33574663 ZZWJLDHJZJKVTM-VKAVYKQESA-N 486.553 5.993 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 214247223 IQWJCYDNBDWKOO-RGVLZGJSSA-N 454.435 5.239 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 1411749 CVEBIGCEBOQMQY-UHFFFAOYSA-N 467.481 6.841 5 40 JKBB Clc1ccc(-n2c(-c3ccc(Br)cc3)cn3c4ccc5ccccc5c4nc23)cc1 2306072 WPBYCGKRHAVZCM-UHFFFAOYSA-N 472.773 7.514 5 40 JKBB O=C1c2ccccc2N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1c1ccc(Br)cc1 2747620 MOUVRLVCBMSELA-QHCPKHFHSA-N 490.313 6.388 5 40 JKBB COc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 8974442 QDIXKEGDBTYJGN-QUKDMSEQSA-N 490.943 5.253 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCCC[C@H]4C)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9089917 PCNMKHYDYNAWHV-LJQANCHMSA-N 481.596 5.926 5 40 JKBB COc1ccc(C(=O)Oc2cc3oc4cc(C)ccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 9233074 VSHOGPIAEOLOKU-UHFFFAOYSA-N 477.472 5.477 5 40 JKBB CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)nc2c1 9376247 UWOMKLAAVRAGAM-UUILKARUSA-N 468.462 5.631 5 40 JKBB CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 9703452 XWPKKFYVHATYBT-JXFKEZNVSA-N 496.593 5.129 5 40 JKBB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 10060380 RKYVVSWTFBZVLV-DHIUTWEWSA-N 489.919 5.230 5 40 JKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cccc4cccnc34)c12 79189073 JINSVRSDFBOZAD-UHFFFAOYSA-N 478.552 6.830 5 40 JKBB biogenic COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 408557077 LYNMLAWPXBJEGT-UHFFFAOYSA-N 476.316 5.540 5 40 JKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)c(Cl)c2)cc1 408681743 INYWEVVTJAHMHZ-JOCHJYFZSA-N 478.353 5.998 5 40 JKBB COc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408830898 ZALLLZYORYPPAU-UHFFFAOYSA-N 476.470 5.554 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1I 409178582 LLULDJGKARICOE-UHFFFAOYSA-N 475.238 5.349 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409183483 TVIBLOUWUPYBIQ-UHFFFAOYSA-N 470.437 6.242 5 40 JKBB CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C 2053018 FVNUNIDBZQIAGI-IBVKSMDESA-N 471.557 6.298 5 40 JKBB CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1ccc(C)c([N+](=O)[O-])c1 2921126 QTYCGXWVRKWMRO-UHFFFAOYSA-N 484.936 5.050 5 40 JKBB COc1cc2c(cc1NC(=O)c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)oc1ccccc12 3348321 ZJXQYXIQOYARKX-UHFFFAOYSA-N 475.486 5.035 5 40 JKBB O=C(c1ccccc1)c1ccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])c1 9670642 ZAGCNLLJCOGPGA-GOSISDBHSA-N 495.461 5.271 5 40 JKBB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9730017 UTJCESONQOYHAB-VIFPVBQESA-N 490.385 5.695 5 40 JKBB Cc1cc(C2=N/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)ccc1Br 16282113 KGWCGQQFTWRAIU-WQRHYEAKSA-N 453.248 5.270 5 40 JKBB CC(C)/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 17953024 WDQPAMHFFCXSNU-KRUMMXJUSA-N 473.407 7.490 5 40 JKBB world O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1)N1CCCCC1 44087819 IJTWVYWTWRDIHI-UHFFFAOYSA-N 490.507 5.571 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 214248500 URMLDIQMUFGHES-RGVLZGJSSA-N 454.435 5.239 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214988660 RHDNYNZKQJLGRQ-LPYMAVHISA-N 480.929 6.064 5 40 JKBB CCCSc1nc(SCc2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)CO[C@](C)(CC)C3 1863398 MYGKZDGJNFPSMD-JOCHJYFZSA-N 475.661 6.635 5 40 JKBB CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C(C)(C)C)C2 1944463 KSODLEMUCPCPEQ-AWEZNQCLSA-N 460.552 5.002 5 40 JKBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1Sc1ccc(Cl)cc1 3311394 ABGULMCQOUZPCY-UHFFFAOYSA-N 477.325 5.848 5 40 JKBB CC1(C)CC([N+](C)(C)CCCCCC[N+](C)(C)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O 5575178 LHPYFUULVYZPAJ-UHFFFAOYSA-N 484.814 5.521 5 40 JKBB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c2c1 6844273 LWGZLZDLWLCVPX-UHFFFAOYSA-N 462.506 5.637 5 40 JKBB CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc12 8974202 UWZNENBSARXMDE-UHFFFAOYSA-N 496.541 5.869 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c([N+](=O)[O-])c1 15981766 LDAQEBJLEQGZKI-UHFFFAOYSA-N 469.542 5.537 5 40 JKBB C[C@@H](S[C@@H]1N=NC(c2ccccc2[N+](=O)[O-])=N1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 16322382 WQBJTRFJCDYPBT-RBHXEPJQSA-N 472.741 5.811 5 40 JKBB COc1cc(/C=C\c2cc(/C=C/c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 16926272 GKVKPJCQVGGHRF-KYPMKJFLSA-N 464.430 5.272 5 40 JKBB CCCOc1ccc(CN(CCC)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC 24865466 NGCMRUHAKJPYFU-UHFFFAOYSA-N 472.585 5.391 5 40 JKBB COc1ccc(-c2csc(/C=C/c3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)n2)cc1OC 25396181 YNNWGWPJCCJRAB-GXDHUFHOSA-N 473.554 6.674 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 36020244 MUSCJXZNWNRCOK-FPUALCIBSA-N 470.549 9.486 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H](c3ccc([N+](=O)[O-])s3)C2=C(O)C1 102453413 ICNJVZPNARQHCH-AREMUKBSSA-N 487.581 6.692 5 40 JKBB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102752881 TZGJHJKWADXIOC-TWJOJJKGSA-N 479.492 5.108 5 40 JKBB Cc1ccc(C)c(C2=NN3[C@H](c4ccc([N+](=O)[O-])cc4)Oc4ccc(Br)cc4[C@H]3C2)c1 102766709 JUNHIBNWBCGQAK-VWNXMTODSA-N 478.346 6.216 5 40 JKBB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2cccc([N+](=O)[O-])c2)cc1Cl 104365592 XYZNVCOCKXNHMP-UNOMPAQXSA-N 485.974 5.995 5 40 JKBB O=C(Nc1cccc(C(=O)N2[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 408676553 DJISDTTZIXSDTE-ACKJMCFBSA-N 491.503 5.296 5 40 JKBB COc1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2218966 MAUZJIJKRMSDIO-UHFFFAOYSA-N 492.362 5.279 5 40 JKBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21 2246030 YBHVFBVZASZBOB-UHFFFAOYSA-N 481.943 5.053 5 40 JKBB Cc1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9344383 YNSWYBTXLATQFF-UHFFFAOYSA-N 467.938 5.306 5 40 JKBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCc1csc(-c2ccccc2)n1 15910895 KNIDETPHVQICKV-GFCCVEGCSA-N 451.426 5.281 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Br)c1)O2 16739433 ADXKRRPIUFJAJY-IRLDBZIGSA-N 450.292 5.600 5 40 JKBB O=C1c2cccc3cccc(c23)C(=O)N1CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 21487066 WOQHPKNCKNQBEV-UHFFFAOYSA-N 497.482 5.220 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)N1CCCCC1 44087608 ZDEDBYKCINJKOT-UHFFFAOYSA-N 456.955 5.206 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408564472 DDMNBCGEEMQPKF-DPQOWFAMSA-N 498.366 5.094 5 40 JKBB Cc1cccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c1C 409022152 GPOCJISMYYZGRH-UHFFFAOYSA-N 473.532 7.346 5 40 JKBB O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 409176840 ZCZQPIWPKWAWIB-UHFFFAOYSA-N 465.527 5.695 5 40 JKBB Cc1cc2nc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)oc2cc1C 1414895 YQKSJDZKFFMMAC-UHFFFAOYSA-N 453.454 6.532 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2421777 SRXKHFHIIBEODV-UHFFFAOYSA-N 465.479 5.883 5 40 JKBB CSc1ccc([C@@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)cc1 9015628 WIEPPZOHANJRBY-HSZRJFAPSA-N 496.552 6.052 5 40 JKBB O=C(O)c1c(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] 12560336 SLQDOJHPBKTUGO-HAAWYONQSA-N 481.508 5.730 5 40 JKBB Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(N1CCCC1)C(C)(C)C 12575536 XXJQKQLDKVMMGB-MGBGTMOVSA-N 465.538 6.365 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1 13810922 JRARFLXUKCVKRZ-PVHODMMVSA-N 491.503 5.313 5 40 JKBB O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14277927 NHIGIBXHJVSMJF-UHFFFAOYSA-N 497.338 6.562 5 40 JKBB CCOc1ccc(C2=N/C(=C\c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C(=O)O2)cc1OCC 15912567 TZDWAQSQJHWQKW-MOSHPQCFSA-N 492.459 5.668 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2nn(-c3ccccc3)nc2c1 20609879 QWCCUPCTTWXHQR-NTCAYCPXSA-N 451.442 5.241 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 408561235 HFXSQUDNNMCJJP-FLFQWRMESA-N 464.374 6.145 5 40 JKBB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1OCc1ccccc1[N+](=O)[O-] 409262680 GKQGLHIGOYJXRY-UHFFFAOYSA-N 463.515 5.439 5 40 JKBB Cc1ccc(C(=O)NCCCCCCCCCCC(=O)O)c([N+](=O)[O-])c1OCc1ccccc1 16291408 BNXDCEFWGOTCSL-UHFFFAOYSA-N 470.566 5.808 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 103126922 CHUXSZHUUIMECI-VQTJNVASSA-N 484.295 5.198 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1[N+](=O)[O-] 408644892 IRVUHRGYUPJVEW-UHFFFAOYSA-N 459.433 5.053 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)C12CC3CC(CC(C3)C1)C2 408836084 ZCAYJVSAHXSONJ-UHFFFAOYSA-N 494.016 7.194 5 40 JKBB O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc12 409002224 ZGSLOQKRVWUGFW-UHFFFAOYSA-N 493.906 7.099 5 40 JKBB COc1ccccc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409090075 OOYBZDBRRZYSQS-UHFFFAOYSA-N 475.504 6.738 5 40 JKBB Cc1c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cccc1[N+](=O)[O-] 409266819 LFLWARWFKDMIQS-HNNVXOBOSA-N 453.542 6.452 5 40 JKBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)cc1 2251687 XGFHKJNERMAYPD-UHFFFAOYSA-N 479.971 5.661 5 40 JKBB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2639501 NVBXNVZRGMSHKJ-OAHLLOKOSA-N 491.960 5.887 5 40 JKBB COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 3333192 VZIDGPFQLMLXFS-LJQANCHMSA-N 452.894 5.857 5 40 JKBB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6442713 COZLNLFHPQQGIS-SFHVURJKSA-N 489.557 5.182 5 40 JKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(CCC(c3cc(C)ccc3C)=NN2c2ccccc2)S1 8921570 HNBUVTZLCQQPBK-HHHXNRCGSA-N 499.596 6.026 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277513 QQDPWKKAKDIVHN-UHFFFAOYSA-N 494.960 5.614 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3C)o2)c([N+](=O)[O-])c1 16291385 SRYUYHURQJJLCR-UHFFFAOYSA-N 469.522 7.001 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 102788398 IZQAUHOWKOHMIF-VKGTZQKMSA-N 485.515 6.694 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 224418587 CRLFMSXUHQVQOU-GOTSBHOMSA-N 460.490 5.566 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(Cl)cc1 408565345 BTGDTYBUHIEWQO-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1Cl 408602044 AAQBOHQXCOBFLW-CSKARUKUSA-N 492.315 5.785 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408608033 MBLWDVVAQSWBNN-UHFFFAOYSA-N 477.395 6.325 5 40 JKBB CCn1c(S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634649 TWTQAUAZHMIUNV-MOSHPQCFSA-N 496.932 6.004 5 40 JKBB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2c3ccccc3cc3ccccc23)C1=O 408803618 RHTZJKPEAINNJI-AVAWSDDZSA-N 477.653 8.047 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12 409276226 YZOASSLVORPZLV-HAHDFKILSA-N 498.520 5.214 5 40 JKBB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)c1C 409411181 FGNQIWTWPMZJKA-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1 2245420 YOGMGNHVEGZCOE-UHFFFAOYSA-N 465.944 5.353 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2404382 BCBPSLFGJCZLIU-UHFFFAOYSA-N 457.965 6.005 5 40 JKBB O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccccc4Cl)n3-c3ccccc3)c[nH]c2c1 3667545 WXBNGNUEEFNPSM-UHFFFAOYSA-N 461.934 6.270 5 40 JKBB O=C(Nc1nnc(CCSc2cc(Cl)ccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 8450136 ZXUIPAUUWPIWPQ-UHFFFAOYSA-N 455.348 5.340 5 40 JKBB Cc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C 8831953 FJROTLSCPYDFCK-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB CCCCC(=O)Oc1cn(CCC2=CCCCC2)c2nc(CCCC)n3c4ccccc4nc3c12 9124583 RXNADAQPRAOSSC-UHFFFAOYSA-N 472.633 7.166 5 40 JKBB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12 10187573 NIQQIDNTBMKRLM-UHFFFAOYSA-N 468.922 5.499 5 40 JKBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 408582962 PZIACCQTGOUPQC-UHFFFAOYSA-N 484.253 5.797 5 40 JKBB Cc1ccc(NCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409173968 QLMNCXPBEWTFCS-NDEPHWFRSA-N 480.520 6.296 5 40 JKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 2449791 QUNRRMFWRVXTNQ-UHFFFAOYSA-N 499.615 5.163 5 40 JKBB COC[C@@H](C)n1c(SCc2cc(=O)oc3ccc4ccccc4c23)nc2ccccc2c1=O 3297178 GCFHCCOHVSCDMQ-MRXNPFEDSA-N 458.539 5.156 5 40 JKBB CCCCC(=O)Oc1cn(Cc2ccc3c(c2)OCO3)c2nc(CCCC)n3c4ccccc4nc3c12 9293018 JJIHLXVLQVLGTN-UHFFFAOYSA-N 498.583 6.052 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 10119756 FYPAZJYPANXWTO-UHFFFAOYSA-N 496.317 5.989 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 59433373 WWTDWXUBCMMRJT-VUUXHMSQSA-N 458.901 5.209 5 40 JKBB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@@H](Nc1ccccn1)n1nnc2ccccc21 59488684 ZVPJMVXWLFLHHV-SANMLTNESA-N 473.581 5.512 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2Cl)cc1 408606542 IMTHZRIWZPBWHT-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB O=C(Nc1ccc(I)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408621630 OWYZGAZAVLYTOU-UHFFFAOYSA-N 468.634 5.365 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1 408822474 BVDKEEGEEIURPS-UHFFFAOYSA-N 477.545 7.305 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccccc2CNc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 409109426 DQJCLZOAPQYLQI-UHFFFAOYSA-N 457.442 6.700 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 409177649 HJOKZXXEMFPFFS-UHFFFAOYSA-N 461.477 6.229 5 40 JKBB Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1 409183670 UBCQVBBYYALGLO-MHZLTWQESA-N 494.503 5.937 5 40 JKBB Cn1c(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nnc1-c1ccccc1F 3317825 OISZAZFQOQMLOK-FQEVSTJZSA-N 497.939 5.655 5 40 JKBB O=C(Oc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1)c1cccc([N+](=O)[O-])c1 12523857 PXANAOCCOZXCST-VWLOTQADSA-N 462.465 5.803 5 40 JKBB Cc1nn(Cc2ccccc2)c2c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)nn(Cc3ccccc3)c1O2 18197006 LVCMVRZJJMJASW-UHFFFAOYSA-N 491.551 5.987 5 40 JKBB Cc1ccc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1C 19928036 DRDQYSQSNZAMHW-UHFFFAOYSA-N 483.333 5.211 5 40 JKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1 20456487 SAYZVGICKHCBNG-UHFFFAOYSA-N 467.547 5.087 5 40 JKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)cc2Cl)c1 24522839 AEWRZCSTMJZZQE-DHZHZOJOSA-N 452.297 6.594 5 40 JKBB CC1(C)C(/C=C/c2cc(Br)cc([N+](=O)[O-])c2O)=[N+](Cc2ccccc2)c2ccccc21 36610881 WLDMOGXSEYHHOU-UHFFFAOYSA-O 478.366 6.353 5 40 JKBB CN1/C(=C2/C=NN(c3ccccc3)[P@]2(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21 103443236 UNKVVKOHVFNAMB-OVVRRXDVSA-N 473.473 6.345 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225053150 OGVSHSGEWHNHLC-IZZNHLLZSA-N 498.612 5.255 5 40 JKBB Fc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408976161 PVRDMYPKYBCJMP-UHFFFAOYSA-N 450.502 5.827 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409016560 DOVZSADSLADPLH-PCXKXAPESA-N 456.520 5.407 5 40 JKBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409098903 MPQBUISMTDBRNY-FZSIALSZSA-N 485.301 5.150 5 40 JKBB CCOc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409117464 NSKCYEVQHRMPRA-UHFFFAOYSA-N 485.378 6.564 5 40 JKBB O=C1S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409347055 NMNSTAGIPIQRJV-RQZCQDPDSA-N 486.868 5.206 5 40 JKBB O=C(c1cccc(Br)c1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 682702 DHOIBJGZBDSRBJ-HSZRJFAPSA-N 476.330 5.627 5 40 JKBB biogenic Cc1nc2c(c(=O)n1[C@H](C)c1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2231960 FGZYYDSHXGIZPZ-QGZVFWFLSA-N 463.516 5.400 5 40 JKBB Cc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2323956 GOFLMFCCXMSFNZ-UHFFFAOYSA-N 468.513 5.294 5 40 JKBB CCOc1ccc(-n2cc(OC(=O)CC(C)C)c3c2nc(CC(C)C)n2c4ccccc4nc32)cc1 2350300 ASOCQHDHMXUGTF-UHFFFAOYSA-N 484.600 6.375 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CC[C@H](C(C)(C)CC)C2 2759864 VQDCRXZRCLCUDL-HNNXBMFYSA-N 474.579 5.635 5 40 JKBB O=[N+]([O-])c1ccc(C(Cc2ccccc2)(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 8780985 AIWTYTYALGCQLP-UHFFFAOYSA-N 457.551 5.749 5 40 JKBB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c([N+](=O)[O-])cc1C 8883917 IBWQWOVFAGQHQJ-UHFFFAOYSA-N 491.548 5.388 5 40 JKBB COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Nc3ccc(F)cc3)o2)cc1 9127708 ARTPUOBDELGLFD-UHFFFAOYSA-N 495.492 5.267 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5cc(C)cc(C)c5o4)c3C)o2)c([N+](=O)[O-])c1 10035093 HJTZXUGPRANVGM-UHFFFAOYSA-N 481.508 7.149 5 40 JKBB CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 13109624 MSVYZJJGHDPLSL-UHFFFAOYSA-N 478.998 5.697 5 40 JKBB O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 16545600 HSGNHAYISXDLDQ-UHFFFAOYSA-N 477.476 6.259 5 40 JKBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142616 WGODLNNCTWRWJG-UHFFFAOYSA-N 455.898 5.243 5 40 JKBB O=c1c2c3c(sc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(Cl)cc1)CCCCC3 20152592 NKWFTUBQYCRWFL-UHFFFAOYSA-N 481.961 5.093 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 22572922 NNUWVGUZWKBAJS-UHFFFAOYSA-N 463.925 5.885 5 40 JKBB Cc1cc(NC(=O)COc2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32114525 NUJKMWXIIJRICM-UHFFFAOYSA-N 459.458 5.228 5 40 JKBB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315791 FWZHBKVCJZNTEA-UHFFFAOYSA-N 450.347 6.359 5 40 JKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 408571037 MZGAXQUSWZUOML-JOCHJYFZSA-N 450.922 6.208 5 40 JKBB Cc1cccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)c1 409099073 PXFOCEXOQNDATO-UHFFFAOYSA-N 490.894 6.974 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409180124 VYATYFBUDLSNAD-AREMUKBSSA-N 498.447 6.076 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409317164 SEDQIRAJQPUFNF-ZPTXYVIGSA-N 453.542 6.452 5 40 JKBB COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 1014047 DDKYOOWHIWCIKB-HXUWFJFHSA-N 452.894 5.210 5 40 JKBB CC(C)c1nc2sc3c(ncn4c(SCC(=O)Nc5ccccc5)nnc34)c2c2c1CCCC2 1247494 PDYRQHSRJJJRPP-UHFFFAOYSA-N 488.642 5.620 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4427911 BYUZXWHIDSPSCF-UHFFFAOYSA-N 474.454 5.110 5 40 JKBB O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474703 PGNPWEAKGNTGNE-UHFFFAOYSA-N 495.948 5.139 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 8722241 GPHPDBFGMDZIAM-LPYMAVHISA-N 491.481 5.319 5 40 JKBB O=C(c1ccccc1)c1ccc2c(=O)n3c4ccc5c6ccccc6c6ccc(nc3c3cccc1c23)c4c65 8765766 VUVFAMRSKYCZLH-UHFFFAOYSA-N 498.541 7.720 5 40 JKBB CC(C)(C)c1ccccc1NC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1 12529034 GUKDUZKPJUYWDU-UHFFFAOYSA-N 486.597 6.476 5 40 JKBB O=C(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F 12566719 NJWPHFAHRDHQFV-UHFFFAOYSA-N 494.809 5.855 5 40 JKBB O=C(c1ccccc1)n1nc(-c2cccc([N+](=O)[O-])c2)cc1Nc1ccccc1NC(=O)C(F)(F)F 13041548 QUFDIHJFGMFGEA-UHFFFAOYSA-N 495.417 5.391 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20145340 ZMKXJFUPWIMZQQ-XYOKQWHBSA-N 464.861 5.912 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 22027510 CODDEKTWTWDHQS-QGZVFWFLSA-N 451.788 5.421 5 40 JKBB O=C(N/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 25809354 ZKAWVPTZMCPPBE-PLRJNAJWSA-N 471.513 5.171 5 40 JKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 33733604 JOAQWCUVYLQVLW-SREVYHEPSA-N 463.259 5.551 5 40 JKBB O=C(Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1)c1cccc(Cl)c1 39369843 CVWWOISIQNARGS-UHFFFAOYSA-N 461.861 6.013 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1 57313576 XRDWJHKLKACNNQ-UHFFFAOYSA-N 475.389 6.121 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224474444 CBHWADYYDBILOF-DHIUTWEWSA-N 475.961 5.611 5 40 JKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc2ccccc12 224636095 IBXPIKVIVWDXDK-UHFFFAOYSA-N 456.498 6.286 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 408564987 AWQBVVBSYPTHFU-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)c1 408571050 NBUWJFDWRBYPNK-XMMPIXPASA-N 495.004 6.227 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)c1 408574038 ULNYRGHOFWLFQJ-XMMPIXPASA-N 478.549 5.712 5 40 JKBB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408638474 CLVYMEXMSUIUAR-HNNXBMFYSA-N 496.317 5.141 5 40 JKBB O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)[C@H]1CCCC[C@H]1C(=O)O 408749133 DRZUJCGENJFHHZ-DLBZAZTESA-N 471.560 5.326 5 40 JKBB CCCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O 408756802 JRFCVOTZVKZUDS-UHFFFAOYSA-N 454.280 5.260 5 40 JKBB Cc1c(Cl)cccc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409175282 YVPZWASFTMUTOB-UHFFFAOYSA-N 468.893 5.811 5 40 JKBB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1099280 CKAIBNWNGFGQSJ-UHFFFAOYSA-N 486.436 5.272 5 40 JKBB CCc1ccc(Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3c2=O)cc1 1775195 UEUBDKMZCLBSSL-UHFFFAOYSA-N 465.845 5.929 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2309253 RIPAZXMCFIRZED-UHFFFAOYSA-N 457.965 6.005 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(=O)OC)C1 2742258 ZIUILEVCJGYBHX-LBPRGKRZSA-N 464.971 5.890 5 40 JKBB Cc1nn2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])cc(C(C)(C)C)nc2c1-c1ccccc1 9012050 YFVHKLAWOSXBEB-UHFFFAOYSA-N 475.574 5.641 5 40 JKBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 10120081 ZSLFSKLVNXSNNI-UHFFFAOYSA-N 456.502 5.569 5 40 JKBB O=C(Oc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1)c1ccc([N+](=O)[O-])cc1Cl 13146453 STEOSNCSGKELAS-UHFFFAOYSA-N 455.781 5.505 5 40 JKBB Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C 15303443 YPDWYLCKUHZXIM-UHFFFAOYSA-N 499.489 6.875 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 34715904 OMIHORXCNDVUGO-UHFFFAOYSA-N 463.287 5.930 5 40 JKBB O=[N+]([O-])c1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 39578015 GOACCKYVWDKBFM-RBBKRZOGSA-N 450.292 5.600 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102453431 YWQAJDBZRLMAKH-MUUNZHRXSA-N 481.552 6.630 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214208679 KRLUJYSWEQUJHZ-YDZHTSKRSA-N 494.500 5.558 5 40 JKBB COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 1014046 DDKYOOWHIWCIKB-FQEVSTJZSA-N 452.894 5.210 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@H]([C@H](c1ccc([N+](=O)[O-])cc1)N1CCCCC1)N1CCCCC1 1745093 VFBMXCBUXZNAED-ZEQRLZLVSA-N 455.986 5.513 5 40 JKBB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 8717641 IBQFWMBTLOMZAQ-GHTZIAJQSA-N 454.280 5.501 5 40 JKBB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)cc1[N+](=O)[O-] 9404482 OOQHRUNTUXMNKI-UHFFFAOYSA-N 472.526 5.880 5 40 JKBB Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 12342141 LJBPTZLHKUJDEF-UHFFFAOYSA-N 469.284 5.220 5 40 JKBB Cc1nc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1I 57312798 WUGACXVVXGCCHQ-UHFFFAOYSA-N 473.679 5.023 5 40 JKBB Cc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 102745536 BITHNFCOBAMDHH-BHIFYINESA-N 498.322 5.261 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 106685759 QPSATUPEEXJRHK-GRSHGNNSSA-N 475.309 6.398 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 214449808 MLUBVGDNJLSMJS-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 214609380 JKEQZBLGKMBFMT-WSDLNYQXSA-N 491.481 5.840 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 224029109 VJGFKFHTMVGEMB-RPWUZVMVSA-N 486.509 5.156 5 40 JKBB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409063199 INAORRMGBUHQMR-BKUYFWCQSA-N 465.918 5.492 5 40 JKBB C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCc4c(Cl)cccc4Cl)n32)C1 2452763 ULCWPXBHLDULEE-SNVBAGLBSA-N 475.430 5.711 5 40 JKBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 3154869 VAOOJNGRVYHFET-UHFFFAOYSA-N 460.273 5.415 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(-c3cccc(Cl)c3)nc2N1 9637943 RAQGGQSBOXDZHE-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)OC4CCCCC4)cc3)o2)c([N+](=O)[O-])c1 20412185 UPRQEABTRRZSCU-UHFFFAOYSA-N 464.474 5.605 5 40 JKBB CCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 33386961 CKCHBKPDSZTTTA-UHFFFAOYSA-N 471.307 5.587 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1 408569844 JYFWXQHVYZOBEV-QFIPXVFZSA-N 495.373 6.317 5 40 JKBB FC(F)(F)c1ccc2cc([C@@]3(C4CCNCC4)CCCO3)c3ccc(C(F)(F)F)cc3c2c1 2022789 QFOCJDRSIHDXFR-QHCPKHFHSA-N 467.453 7.036 5 40 JKBB CCOC(=O)c1sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)nc1-c1ccccc1 3208616 BSBLTRLVSWPEPZ-UHFFFAOYSA-N 470.506 5.499 5 40 JKBB O=[N+]([O-])c1cc([C@H](O)Cc2ccc3ccccc3n2)ccc1[C@H](O)Cc1ccc2ccccc2n1 3845189 NQCMQHOPGXXXNG-VSGBNLITSA-N 465.509 5.243 5 40 JKBB biogenic CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(C(F)(F)F)c1 8836806 WSFZGFBXDNZLCK-GFCCVEGCSA-N 471.870 5.927 5 40 JKBB Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc4c(c3c2)CCCC4)cc1[N+](=O)[O-] 9030730 HGAKMNKSIZQKSC-UHFFFAOYSA-N 490.537 5.564 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc3c(c2)OCCO3)c2nc(CCC)n3c4ccccc4nc3c12 9243275 NZLKBSVGHXEJDC-UHFFFAOYSA-N 470.529 5.256 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 9348479 PDGUDROXNHFYDA-KRWDZBQOSA-N 472.240 5.054 5 40 JKBB CCCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1OC 9449606 SLOGCRBNOJWPLA-VWLOTQADSA-N 496.519 5.790 5 40 JKBB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2c1 9635859 HSXUOVGNPXOXNI-PKNBQFBNSA-N 458.499 5.238 5 40 JKBB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12 12484566 FLYNBJPMTQARDG-UHFFFAOYSA-N 469.997 7.143 5 40 JKBB Cc1ccc([C@H]2C[C@H]2c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cc1 13643792 ZQSPYJRXUOHUDV-IEBWSBKVSA-N 483.547 7.071 5 40 JKBB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc2S3)cc1 22564166 LHVSXOGRYHWSOR-JOCHJYFZSA-N 457.511 5.244 5 40 JKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H](C)n5nc(C(F)(F)F)cc5C)nc34)c12 22578971 UHNVYCAXRKQKON-VIFPVBQESA-N 467.427 5.266 5 40 JKBB Cc1c(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnn1-c1ccc(OCc2ccccc2)cc1 72333127 IFRMPOLANUXRRR-UHFFFAOYSA-N 469.526 5.853 5 40 JKBB Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N/C(=O)c2cccc([N+](=O)[O-])c2)c1C 104181346 ATYYMJNNPFSSOV-OCOZRVBESA-N 474.498 5.380 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408565900 DDYFUHCXPPKPIM-FQEVSTJZSA-N 485.765 6.571 5 40 JKBB O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 409235677 PQVRESAFVBZKTJ-XDHOZWIPSA-N 483.402 5.499 5 40 JKBB Cc1cccc(CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)c1 409239145 CDZXSRUUXGXGQA-WGOQTCKBSA-N 493.519 5.728 5 40 JKBB COc1cccc(-c2nc(C)c(-c3ccc(SCc4ccc([N+](=O)[O-])cc4)nn3)s2)c1 9578019 BJWYNLIAJIJOQH-UHFFFAOYSA-N 450.545 5.785 5 40 JKBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)cc2[N+](=O)[O-])C1 12600079 HITLNMBPTRDYHD-PHIMTYICSA-N 491.202 6.943 5 40 JKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc2ccccc2cc1O 12659963 IEUAMGLSVXSMTG-HSZRJFAPSA-N 476.872 5.644 5 40 JKBB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F 12756533 LXPZRZLIKMMUEY-HVHJFMEUSA-N 475.473 5.191 5 40 JKBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 20611290 UXKDFVRQKBKJIH-UHFFFAOYSA-N 499.483 5.167 5 40 JKBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1[N+](=O)[O-] 100187063 OPUIDKILAPUACF-VLHNATBGSA-N 462.505 5.327 5 40 JKBB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3cccc([N+](=O)[O-])c3)c2c1 101470313 ZJJAXFPYYKQWJW-UHFFFAOYSA-N 454.438 5.929 5 40 JKBB COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] 106680571 GPXVAFRCIDNLLJ-UCQKPKSFSA-N 476.510 5.419 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727429 VDSLJHILHUCSLP-CFRMEGHHSA-N 487.512 5.973 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 214406181 NYXAFINRETXKBE-KEBDBYFISA-N 489.336 6.707 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)c1 408571153 NWRRJXAHGVQNTF-XMMPIXPASA-N 478.549 5.712 5 40 JKBB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408612354 VOLFXHHMDVKXKV-UHFFFAOYSA-N 495.732 6.350 5 40 JKBB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1 409204480 HABVBESELQPGHU-SOFYXZRVSA-N 498.369 5.299 5 40 JKBB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409217100 ROTSFCPXKJCAGG-QNGOZBTKSA-N 477.498 5.070 5 40 JKBB COc1ccc2nc3sc4c(SCC(=O)N5c6ccccc6C[C@H]5C)ncnc4c3cc2c1 1327849 FTAJRBAPOWXLNN-CQSZACIVSA-N 472.595 5.471 5 40 JKBB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6246625 MPONSKWNNSGYCC-QGZVFWFLSA-N 459.531 5.270 5 40 JKBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCc1ccccc1 8792214 PIHNWVVJBDGPAW-LJQANCHMSA-N 475.548 5.108 5 40 JKBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 9059356 KLKWDJVESHDJSG-UHFFFAOYSA-N 465.579 5.322 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 12851007 CACWZHSYVDZDDS-LAJGZZDBSA-N 493.519 6.025 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)o1 15947382 NVIBFNLWYGNDJI-XMMPIXPASA-N 486.553 5.904 5 40 JKBB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)sc3c2)c1 59474820 YFLNBQKZDGPIMD-UHFFFAOYSA-N 478.555 5.496 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 59476557 GSNIFNYWTSAYCE-UHFFFAOYSA-N 450.834 5.039 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564475 DDMNBCGEEMQPKF-FMNCTDSISA-N 498.366 5.094 5 40 JKBB CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2109785 PLJBAZUZDPDWHP-UHFFFAOYSA-N 460.511 6.294 5 40 JKBB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3438324 JCNPDBNFTQLVTN-UHFFFAOYSA-N 482.920 6.134 5 40 JKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8590647 RFWGNSBEGZIHEX-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB O=[N+]([O-])c1cccc(Sc2ccc(Oc3ccc(Sc4cccc([N+](=O)[O-])c4)cc3)cc2)c1 9426042 GDOFQVSGNPJQQT-UHFFFAOYSA-N 476.535 7.598 5 40 JKBB Cc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(C)c(C)c3)c2Br)cc1C 13960762 GGFGKYKHHGFHOB-UHFFFAOYSA-N 490.401 7.170 5 40 JKBB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278303 AARBFMRADRJPST-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20807815 RPPVFUZSTWYHTP-UHFFFAOYSA-N 459.845 6.569 5 40 JKBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 20969970 AGSDRFYPEDUQOA-QFIPXVFZSA-N 477.883 5.665 5 40 JKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)ccc12 238900793 KBBXNFZOJQVDNU-IYARVYRRSA-N 495.572 5.500 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 408663978 IICAVMFXQVATMD-MONBJTKQSA-N 482.533 5.008 5 40 JKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 408806860 CABOPMGLDHIKCJ-UHFFFAOYSA-N 475.333 6.233 5 40 JKBB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1cccc([N+](=O)[O-])c1 409258228 XCVNRQKKSGGVLP-UHFFFAOYSA-N 477.542 5.829 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc3c(c2)-c2cc(Oc4ccc([N+](=O)[O-])cc4)ccc2S3(=O)=O)cc1 2066102 GBKUPEFFFMUOTQ-UHFFFAOYSA-N 490.449 5.901 5 40 JKBB CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 2388983 YKIKLEGJQPPKEN-HSZRJFAPSA-N 473.525 5.645 5 40 JKBB Cc1cc(C)cc(Oc2cc(NC(=O)c3c(C)nn(-c4ccccc4)c3C)cc([N+](=O)[O-])c2)c1 2739406 SHIHOKSSIMKWBU-UHFFFAOYSA-N 456.502 6.059 5 40 JKBB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)c2cccc([N+](=O)[O-])c2)nn1 9578220 QQPOTYDEXAOWCA-UHFFFAOYSA-N 466.519 5.598 5 40 JKBB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)s1)Nc1ccc([N+](=O)[O-])cc1 15021562 KHBZADGHPHEFMC-UHFFFAOYSA-N 471.347 5.063 5 40 JKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224668271 QHWIIDFTJYYZCI-JOCHJYFZSA-N 492.041 5.061 5 40 JKBB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408730842 JINDGOBUQFBHEV-HSZRJFAPSA-N 499.589 5.115 5 40 JKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408842758 KOCAYEZXHOWDFU-LFYBBSHMSA-N 464.242 5.369 5 40 JKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1Sc1cccc2cccnc12 408993293 VLLVPQHRDFZSJB-UHFFFAOYSA-N 486.578 6.550 5 40 JKBB O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccccc1 409233702 WDWHHRIKORFEAU-CIAFOILYSA-N 498.322 5.574 5 40 JKBB CN(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccc2ccccc2c1 409337466 UGGABADNSNOIGN-UHFFFAOYSA-N 465.516 6.309 5 40 JKBB COc1cc([N+](=O)[O-])cc2c1O[C@@]1(C=C2)N(C)c2ccc3c(sc4ccccc43)c2C1(C)C 1900524 SPYPNEXPKHCSCL-AREMUKBSSA-N 458.539 6.501 5 40 JKBB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(Oc3ccc([N+](=O)[O-])cc3)c2c1C 3325327 WAQOCTXLHDFFIK-UHFFFAOYSA-N 481.555 6.169 5 40 JKBB COCCOc1cc(NC(=O)c2sccc2Oc2ccccc2[N+](=O)[O-])c(Cl)cc1Cl 8855316 LSXKZSDZXBYGPR-UHFFFAOYSA-N 483.329 6.033 5 40 JKBB c1ccc(CSc2nnc3c4sc5nc(-c6ccccc6)c6c(c5c4ncn23)CCC6)cc1 8927401 KSCDTMVYIKCMCV-UHFFFAOYSA-N 465.607 6.335 5 40 JKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccc(OC)c(OC)c1)n1c3ccccc3nc21 9327958 WHBQKWVOWHKXDV-UHFFFAOYSA-N 450.498 5.055 5 40 JKBB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)c1 14153634 BELHANDDGANEAU-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 16637159 PEROJGMHKBZTEH-UHFFFAOYSA-N 486.937 5.374 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3cccc(Cl)c3)nc2N1 32912764 RTYRNMJMMLZFJO-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1c(F)cccc1Cl 205663057 STJHTTODJSTSLX-WSDLNYQXSA-N 498.919 6.203 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224354903 ZNRRVLOPLLMZQZ-JWQCQUIFSA-N 470.554 5.989 5 40 JKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)Cc2ccc(F)cc2)cc1 226069508 AGHHCSBDKOSFQR-VWLOTQADSA-N 460.654 5.572 5 40 JKBB Cc1noc(/C=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1[N+](=O)[O-] 408541945 GTEPHPJRARFHNY-CLTKARDFSA-N 484.133 6.710 5 40 JKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409010824 LSOZIRLVCIMNFX-MDBUFAAASA-N 491.363 5.771 5 40 JKBB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409121121 YLQZZJJZAXGXQA-UHFFFAOYSA-N 457.324 5.947 5 40 JKBB CCN(CC)c1nc(C)c(C(=O)c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)s1 2641803 VWQKGJCEJAXVOY-UHFFFAOYSA-N 461.996 6.242 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)o1 9056526 GSUMSJYRBTVNFZ-UHFFFAOYSA-N 475.888 6.321 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cccc1[N+](=O)[O-] 9063985 DAMSAHVLEUGMND-UHFFFAOYSA-N 465.922 5.227 5 40 JKBB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 9518422 NHLOTIZGFYWTFZ-UHFFFAOYSA-N 495.875 5.516 5 40 JKBB COc1ccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)cc1 13643652 RZNOKBULDOQAOR-UHFFFAOYSA-N 457.515 5.352 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4cccc(Cl)c4)o3)nc12 13643772 JLLYXXXABYTHKC-UHFFFAOYSA-N 461.934 5.996 5 40 JKBB Cn1ccnc1[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 23774355 PTJSSIYFHPIXKZ-QFIPXVFZSA-N 462.893 5.293 5 40 JKBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O 26787019 BADSVIYBHIIAQE-UHFFFAOYSA-N 488.949 5.471 5 40 JKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)Nc1ccccc1OC(F)F 32670186 HWCRYPNKOJCNSA-UHFFFAOYSA-N 470.457 5.266 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1 214045176 NVIUPXVVLWLLPP-YBFXNURJSA-N 485.315 5.854 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224354717 ANQAHXJPDVQWOH-JWQCQUIFSA-N 470.554 5.989 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1)c1c[nH]c2ccccc12 408566707 FZPTVNKBYOSCKE-OAQYLSRUSA-N 469.310 6.057 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 408605759 GPZMLYDDNIHOOK-UHFFFAOYSA-N 471.351 6.256 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C 409342850 GWDWWBMZALIPRO-RGVLZGJSSA-N 454.891 6.366 5 40 JKBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)cc1C 409408746 LJJHAGWRMYYRSQ-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB COc1cc(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9885234 AKDLPJBQVNWSTG-AWEZNQCLSA-N 481.892 5.427 5 40 JKBB Cc1ccc(-c2noc([C@@H](C)N3CCN(c4ccc(C(=O)c5ccccc5)cc4[N+](=O)[O-])CC3)n2)cc1 12536544 QINGFPFCAGDSGR-HXUWFJFHSA-N 497.555 5.067 5 40 JKBB O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1 13097499 IFLLEVLVFMYEMN-AREMUKBSSA-N 459.509 6.706 5 40 JKBB Cc1ccc2oc(-c3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3)nc2c1 16348434 UYTRIZATMUDONM-UHFFFAOYSA-N 463.902 6.832 5 40 JKBB Cc1ncc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124295 JTLRZPGEFXWNQZ-UHFFFAOYSA-N 453.911 5.047 5 40 JKBB Cc1cc2c(cc1C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 59428142 XVVIGZCWSOELBO-UHFFFAOYSA-N 456.614 6.556 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NCc1cc(-c2ccccc2)on1 62613837 WWOBHXFHFFJRLZ-UHFFFAOYSA-N 484.921 5.316 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106705745 NTZMRBBYHOQDTN-BKUYFWCQSA-N 477.498 5.336 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1c(F)cccc1Cl 215120341 HQBCDSMJFJREBQ-DJKKODMXSA-N 493.299 6.537 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 247353685 CRYDTGWOULSLPD-YTNBGDRUSA-N 460.961 7.124 5 40 JKBB O=S1(=O)c2ccccc2N[C@H](c2c3ccccc3cc3ccccc23)N1Cc1ccccc1 409145096 PFKCFGUNOHRMIZ-NDEPHWFRSA-N 450.563 6.308 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 409181065 VJHJZVWCPUBWMY-UHFFFAOYSA-N 461.477 6.229 5 40 JKBB Cc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(Br)cc1 409199161 HHZXXQJPIUUMLQ-UZYVYHOESA-N 466.744 5.127 5 40 JKBB CC1(C)c2ccccc2N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@]12C=Cc1c(ccc3ccccc13)O2 8926435 KITAEGMFMGUEIO-SSEXGKCCSA-N 491.547 6.286 5 40 JKBB O=C(Oc1ccc2ccccc2c1CN1CCOCC1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12546769 GYBDFZSVUSJDCI-UHFFFAOYSA-N 489.572 5.180 5 40 JKBB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2c[nH]c3ccccc23)cc1 13129541 XPLKRAJDAFYKJP-HXUWFJFHSA-N 462.937 5.357 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc(F)cc4F)o3)nc12 13643658 JUEAAGSKOIZIKT-UHFFFAOYSA-N 463.469 5.621 5 40 JKBB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 22707863 BKDFHYUDLBAYDB-JXMROGBWSA-N 471.922 5.352 5 40 JKBB O=C(O)c1cc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccc(Br)cc12 28355965 PLJXILABNHYYHD-QPJJXVBHSA-N 465.259 6.034 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1F 214330289 GDWIAJGMVAGQBP-VXLYETTFSA-N 458.854 5.884 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224221808 NQVXXWBENKKDME-ZEQRLZLVSA-N 456.527 5.735 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224254552 XHDPJYUSXLJISX-ZEQRLZLVSA-N 456.527 5.735 5 40 JKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408544406 SVHDVPZVBNQMSB-YVMONPNESA-N 479.367 6.180 5 40 JKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Br)cc1 408560599 DOVGSCPVDBQLEH-ATJXCDBQSA-N 494.798 5.864 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 409093677 AZSRHNPEGVITHH-UHFFFAOYSA-N 490.894 6.590 5 40 JKBB Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2)cc1 409177300 CVVXXODXDNGPSI-UHFFFAOYSA-N 487.533 5.931 5 40 JKBB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409192984 HSWDAVXROBIQDJ-WBDHZMATSA-N 474.856 5.212 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 9829789 SAEOEOPKBRKFON-UHFFFAOYSA-N 460.849 5.378 5 40 JKBB Cc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Br)nc2cc1Cl 16284264 DSICIWKHEJLKGK-UHFFFAOYSA-N 485.772 5.056 5 40 JKBB CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1Cl 19928275 XISBPSVVRBVOGB-UHFFFAOYSA-N 486.768 5.564 5 40 JKBB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cccc2c1Cl 59294093 FVPUWUPIQVVFIX-UHFFFAOYSA-N 466.346 5.897 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224881379 KMORXUVTJRITEM-GOTSBHOMSA-N 492.944 5.786 5 40 JKBB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 409244296 ATGSACGQVIEVTK-ODLFYWEKSA-N 482.290 5.019 5 40 JKBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccc(Cl)cc1 1050201 LAZWJFVSCMGNQI-UHFFFAOYSA-N 488.949 5.471 5 40 JKBB O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1787087 HGJXEHCJIYUYJU-AWEZNQCLSA-N 491.080 5.805 5 40 JKBB CCCCCCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)Nc1ccccc1-2 2073872 CARNTIKNBPASJA-NRFANRHFSA-N 481.534 5.351 5 40 JKBB COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2303634 MWHHNJJTHCDFPE-UHFFFAOYSA-N 491.551 5.421 5 40 JKBB CN1c2ccc([N+](=O)[O-])cc2N(C)[C@]1(C)c1ccc([C@]2(C)N(C)c3ccc([N+](=O)[O-])cc3N2C)cc1 8398576 MXKRSFFNSOGPGH-CLJLJLNGSA-N 488.548 5.021 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 9972144 QOTQPYWQLOYAEZ-FMIVXFBMSA-N 471.435 6.126 5 40 JKBB COc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c([N+](=O)[O-])c1 12524597 GGTKPYYXGLBMGN-CPNJWEJPSA-N 483.402 5.262 5 40 JKBB COc1cccc(N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2nc3ccccc3s2)c1 12537780 KJKIONBTQZKPAQ-UHFFFAOYSA-N 474.542 5.792 5 40 JKBB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 14269450 NHWHYIWRPDZWQV-UHFFFAOYSA-N 450.303 5.597 5 40 JKBB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 16575989 UEJDBNCFOOIBPS-UHFFFAOYSA-N 486.528 5.615 5 40 JKBB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 20610169 RJOFAMSSGMUTNZ-UHFFFAOYSA-N 453.458 5.403 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 20797313 JHLOLAZWGGXPNZ-QFIPXVFZSA-N 459.893 5.526 5 40 JKBB COc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1OC 106536504 QDIXKEGDBTYJGN-CBRSEMLDSA-N 490.943 5.253 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224387055 AECILSYTIXBVES-CLJLJLNGSA-N 484.581 6.550 5 40 JKBB O=C(c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363369 CPMVUFUNMJLPBD-UHFFFAOYSA-N 483.332 7.605 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 408572665 RRCRVTNACLVSJQ-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 409002184 YSVDSLWKYYCREJ-OWPQXHQJSA-N 482.967 7.298 5 40 JKBB Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(Br)cc1 409206466 ORFNHOXNLBIWEI-UZYVYHOESA-N 466.744 5.127 5 40 JKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 2301479 XOWQXMRASXRCQV-UHFFFAOYSA-N 455.562 5.435 5 40 JKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccc(Cl)cc3Cl)nc21 2434283 RCQKLMKSUXBOQE-UHFFFAOYSA-N 468.384 6.118 5 40 JKBB O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccc(OC(F)F)cc1 2635604 YIYZPYXXFUMXNR-UHFFFAOYSA-N 455.442 5.188 5 40 JKBB O=[N+]([O-])c1ccc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(-c3ccccc3)c2c1 3395419 NMOUEAVFVRBPJF-UHFFFAOYSA-N 473.554 5.652 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 8919990 ITULKGOXXIATSN-KZULUSFZSA-N 478.412 6.389 5 40 JKBB Clc1cccc(-c2nc(-c3c4ccccc4c(Cl)c4ccccc34)[nH]c2-c2ccccc2)c1Cl 9375171 JONMFNMWKHVSRP-UHFFFAOYSA-N 499.828 9.677 5 40 JKBB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)c(C)c1 9540073 LYOPUQMQAZIRNH-UHFFFAOYSA-N 485.587 5.052 5 40 JKBB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)Nc1ccccc1[N+](=O)[O-] 12654570 RYFBPUFDISEZBA-UHFFFAOYSA-N 461.861 5.259 5 40 JKBB Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14269429 CZFNXCJEQRRWSG-UHFFFAOYSA-N 460.309 5.053 5 40 JKBB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 14277806 GZNOXTFNROUKGR-UHFFFAOYSA-N 476.920 6.217 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc2ccccc12 14945379 IQZWGTGIMLLQKN-UHFFFAOYSA-N 496.552 5.430 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22571340 IJQZMCPKKAAMRJ-UHFFFAOYSA-N 462.893 5.909 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 22709034 RAKLFOKQRQBGOH-UHFFFAOYSA-N 473.312 5.925 5 40 JKBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224552442 ILJUWMAOWNVLKS-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)C1 225506638 PFCTYKAVBTUFBD-FQEVSTJZSA-N 451.567 5.156 5 40 JKBB CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC 408570661 LUJCNRDEYKYFRM-QFIPXVFZSA-N 456.568 5.100 5 40 JKBB CCc1nnc(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)o1 408632862 UISQGZNOLGJNBK-RZNTYIFUSA-N 456.263 5.325 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769716 ZFGLJNHQPCNGNO-LPYMAVHISA-N 464.474 5.549 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3nc4ccc(C(=O)OC(C)C)cc4s3)o2)c([N+](=O)[O-])c1 8903710 LCECMXQUXOEXNK-UHFFFAOYSA-N 481.486 5.291 5 40 JKBB Cc1cccc2oc3cc(NCCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9462277 AEOIUHUDRCTOCD-UHFFFAOYSA-N 453.542 5.147 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2cccc(OC(C)C)c2)no1 9487803 LNYGSDMXTJULRN-DEOSSOPVSA-N 466.493 5.780 5 40 JKBB CCNC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)c1 14573016 MNCUNYMNDAPXAJ-UHFFFAOYSA-N 469.881 5.051 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 22708188 MQAGHTSTXWXXDI-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] 32114764 SOIXIZRTVJUNCD-UHFFFAOYSA-N 473.819 5.986 5 40 JKBB Cc1nc(NC(=O)C[C@H]2CCCCO2)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 40556491 FBMINWNHVNKLLJ-OAHLLOKOSA-N 459.553 5.125 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3ccc([N+](=O)[O-])cc3)C2=C(O)C1 102453423 QDCRAZKZLXJLPN-HXUWFJFHSA-N 459.424 5.950 5 40 JKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OCC 225757188 IMBHHJWNCORBFT-UHFFFAOYSA-N 468.550 5.791 5 40 JKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408609784 OSYPGRUPADYESX-UHFFFAOYSA-N 465.308 6.631 5 40 JKBB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408649047 ZFVDYDSCEXPKBV-FQEVSTJZSA-N 467.481 5.532 5 40 JKBB COc1ccccc1OCc1ccc(C(=O)Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409178996 MIUDCUZEKADELF-UHFFFAOYSA-N 471.465 6.194 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)cc1/C=C(\Br)c1ccccc1 3845001 IZUCMCYILUILLB-IICJTNPGSA-N 451.276 6.566 5 40 JKBB CCCCCCN(CCCCCC)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1 4803443 ZOYXLGCSXKJXOW-UHFFFAOYSA-N 496.533 8.791 5 40 JKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 5949858 CWVAHIVNNNCRQM-SFHVURJKSA-N 484.556 6.769 5 40 JKBB COc1ccccc1-c1nnc(SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1CCc1ccccc1 8861750 XOYQTALXSZIGFX-UHFFFAOYSA-N 488.569 5.388 5 40 JKBB CC(C)CC(=O)Oc1cn(-c2ccc(Cl)cc2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9124314 SWRBKEQMMCZFDL-UHFFFAOYSA-N 474.992 6.630 5 40 JKBB COc1ccc(N[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1Cl 9127522 LSFMIOMWRLQVRI-FQEVSTJZSA-N 490.741 5.811 5 40 JKBB COc1cccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1OC 9187429 IJAVZDHUIOVMMN-JOCHJYFZSA-N 468.465 5.010 5 40 JKBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc(C(=O)c2ccccc2)cc1 9404501 ZOFWYIGAFUBUHN-UHFFFAOYSA-N 470.510 5.011 5 40 JKBB Cc1ccc([P@](=Nc2cc([N+](=O)[O-])ccc2Br)(Oc2ccccc2)C(C)(C)C)o1 13302534 WYHQMKGWNVXEJL-LJAQVGFWSA-N 477.295 7.209 5 40 JKBB CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCc2ccccc2)cc1 15944873 DPKIBJQKULTZFP-ULJHMMPZSA-N 458.514 5.407 5 40 JKBB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 16807621 ZMJZDYZREUTUDZ-UHFFFAOYSA-N 463.515 5.159 5 40 JKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 33653067 PHBHKDDTKKXHMA-UHFFFAOYSA-N 450.834 5.039 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 33926909 CACWZHSYVDZDDS-JUDWXZBOSA-N 493.519 6.025 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739323 UTXWLKPFFVRCOR-QQXSKIMKSA-N 496.544 6.564 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1 223406669 ITUGWKCLKDPDGG-BJKOFHAPSA-N 456.527 5.423 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223997886 DZWXDGJSYPPNNT-LOSJGSFVSA-N 499.552 5.385 5 40 JKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1 409364266 WWFHHVGWJPGOQZ-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB O=[N+]([O-])/C(=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 6088280 KEDCLGKEWNEMRH-RIYZIHGNSA-N 474.766 5.339 5 40 JKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 9309943 YXOIAQNVRCQLEN-UHFFFAOYSA-N 455.562 5.104 5 40 JKBB Cc1cc(O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1 13739578 TUZVYQDYGIFYJY-LJQANCHMSA-N 476.432 5.939 5 40 JKBB O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccccc3)n2)c1 16490546 CZVSXQFOEBLUDF-QUMQEAAQSA-N 465.469 6.377 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 16610758 PBTNOTZJXFKAIG-CQSZACIVSA-N 460.446 6.077 5 40 JKBB CCCCc1ccc2nc(NC(=S)NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 32119145 GOXADVANWSXGSH-JXMROGBWSA-N 474.995 5.727 5 40 JKBB Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(Cl)cc2)n1 44087623 ORWFMZPASCMLGA-UHFFFAOYSA-N 485.978 5.597 5 40 JKBB CC(=O)c1sc(N2N=C3/C(=C\c4ccc([N+](=O)[O-])cc4)CCC[C@H]3[C@H]2c2ccccc2)nc1C 51330468 VWNTXEPDNSTILT-RODRQSGCSA-N 472.570 6.363 5 40 JKBB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 205669969 WWCNUIYCVIATLK-RQZCQDPDSA-N 496.419 5.005 5 40 JKBB O=C1c2cc(Br)ccc2-c2cc(Br)c([N+](=O)[O-])c(Br)c21 1697049 UWSPSRQKEHFYSM-UHFFFAOYSA-N 461.891 5.094 5 40 JKBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2287949 FNASGDWHRRQOEM-UHFFFAOYSA-N 465.944 5.488 5 40 JKBB Cc1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2o1 8606324 BOUWBEGOODDEOB-UHFFFAOYSA-N 470.529 6.200 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)cc1Cl 8902516 LVPICDXLVFOGNP-RMKNXTFCSA-N 467.909 5.305 5 40 JKBB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 9127382 GTZKAWBIPUBBIE-DEOSSOPVSA-N 499.596 5.893 5 40 JKBB CCCC(=O)Nc1nc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2s1 10372876 LBLGHGLDCHGYKP-UHFFFAOYSA-N 452.536 5.394 5 40 JKBB O=C(CNc1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)F 12564130 IKRGGISHEHGYQX-UHFFFAOYSA-N 471.404 5.869 5 40 JKBB CCCCc1ccc(Nc2c(Nc3ccc(CCCC)cc3)c3ccccc3c3ccccc23)cc1 85224747 ZJXWAQVBKSOUDV-UHFFFAOYSA-N 472.676 10.165 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224386932 AECILSYTIXBVES-UIOOFZCWSA-N 484.581 6.550 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(F)cc1 408565904 DDYZQGLAODNBEI-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1OC(F)F 408609303 ZFUWUHPTRYXSDS-PKNBQFBNSA-N 489.431 5.079 5 40 JKBB O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 409189140 DGMPBBRTTZIADG-YDZHTSKRSA-N 489.940 6.492 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@@H]1C 2273649 QJAONJBSDZDDAC-KDYSTLNUSA-N 485.584 6.688 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)n2-c2ccccc2)cc1 2690534 MGEPRCVDDFSAFU-UHFFFAOYSA-N 478.986 7.003 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1ccc(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 3334193 YZJWGWVNKWGDSH-KAVGSWPWSA-N 488.452 5.016 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccc(Cl)cc2)cc1 6280109 BPGRQEZZQNLKNK-UHFFFAOYSA-N 493.976 5.844 5 40 JKBB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 8832795 USQNJFXHRZTTAF-UHFFFAOYSA-N 474.542 5.331 5 40 JKBB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 12318975 WKFVJEUYHNQGMM-IQOKHDRSSA-N 467.518 5.252 5 40 JKBB Cc1ccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)o2)c([N+](=O)[O-])c1 13643601 XJXJTYUQOAMDDO-UHFFFAOYSA-N 486.513 5.560 5 40 JKBB O=C(N[C@H](C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1)OCc1ccccc1 13748240 FLYQXJXOJAQPDY-SANMLTNESA-N 479.488 5.519 5 40 JKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1 22751524 IYNLGTGGOADIAR-UHFFFAOYSA-N 493.353 5.898 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 36316834 DCAZCKMMEAPQGQ-WWQFTLRMSA-N 499.592 5.030 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 72229906 DFRVHDXFAURFPZ-LJQANCHMSA-N 473.337 6.450 5 40 JKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 96022720 OZHIGOPKJBQNNE-UHFFFAOYSA-N 478.442 5.355 5 40 JKBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@H]2C(=O)N1c1ccccc1 102723449 YAGSEIQCOXLKEW-SDHSZQHLSA-N 497.532 5.374 5 40 JKBB C[C@@]12CCC[C@H]1[C@@H]1C[C@@H]3O[C@@]34C[C@H](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@]4(C)[C@H]1CC2 119090234 UHBQQROSQQYOOK-UBBYKTDRSA-N 484.549 5.593 5 40 JKBB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225537428 SYCIEACWZLXWGX-UHFFFAOYSA-N 451.567 5.300 5 40 JKBB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 408694973 NCAZPESVTCINRM-UHFFFAOYSA-N 451.845 5.196 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409189950 OEKXMGXQEKCLNG-FYJGNVAPSA-N 466.902 6.068 5 40 JKBB COCCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409218965 ZCAPXRSMOBBLHQ-BOPFTXTBSA-N 450.925 5.082 5 40 JKBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc2ccccc12 868983 SFXRKHWZJUVFFY-UHFFFAOYSA-N 481.537 5.727 5 40 JKBB Cc1cc(C)c2nc3sc4c(SCC(=O)Nc5ccc(N(C)C)cc5)ncnc4c3cc2c1 1327824 RQUZRUPTQFOWGR-UHFFFAOYSA-N 473.627 5.806 5 40 JKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccc(C)cc3)cc12 2476471 JEQIQQXMURLFSX-UHFFFAOYSA-N 492.509 5.196 5 40 JKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccccc1C(F)(F)F 2751233 ROFHXYNNQQINLA-UHFFFAOYSA-N 473.406 7.276 5 40 JKBB CC1(C)c2ccccc2N(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@]12C=Cc1c(ccc3ccccc13)O2 8926092 KITAEGMFMGUEIO-PMERELPUSA-N 491.547 6.286 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 72229995 GZXKXHHTFBQBHN-QHCPKHFHSA-N 451.910 5.182 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1Cl 215104262 LFMZJJYBRLEOPN-VXLYETTFSA-N 458.854 5.884 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1 223406572 ITUGWKCLKDPDGG-DNQXCXABSA-N 456.527 5.423 5 40 JKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 408560574 ZRMWOORAYUHRSC-UHFFFAOYSA-N 463.331 6.702 5 40 JKBB O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 409211348 LOTLTVOUIOHYEF-HYARGMPZSA-N 491.481 5.574 5 40 JKBB COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 1714428 GKVKPJCQVGGHRF-FCXRPNKRSA-N 464.430 5.272 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4109883 QNLFDLOBWMEZOP-UHFFFAOYSA-N 459.424 6.116 5 40 JKBB O=C(O)c1ccccc1-c1c2ccc(=O)c(Br)c-2oc2c(Br)c(O)ccc12 4352921 YVPBVWICNJPHCW-UHFFFAOYSA-N 490.103 5.494 5 40 JKBB biogenic,in-vitro O=C(CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474700 OGEMEFKGPRVYDE-UHFFFAOYSA-N 494.964 5.172 5 40 JKBB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 9169088 AQTDPUYXUDVTDL-HNNXBMFYSA-N 499.401 5.002 5 40 JKBB CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Br)cc1)=N2 12485493 GSYHLUQAOAAPSU-UHFFFAOYSA-N 465.307 5.190 5 40 JKBB Cc1cc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1C 12622329 JOJWRMGQURJUMO-UHFFFAOYSA-N 488.422 5.165 5 40 JKBB COc1cccc(CN(C)Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c2=S)c1OC 13072598 IDAITBUPTNMJJJ-UHFFFAOYSA-N 491.573 5.085 5 40 JKBB Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 13769351 BITHNFCOBAMDHH-FSSWDIPSSA-N 498.322 5.261 5 40 JKBB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595689 BILQLXYCRZRKBS-UHFFFAOYSA-N 467.869 5.588 5 40 JKBB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1 22709050 FZKXJIXOELCRGN-UHFFFAOYSA-N 473.312 5.925 5 40 JKBB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1cccc([N+](=O)[O-])c1 100884312 HWHBVHVSEBRBNC-NRFANRHFSA-N 472.892 5.148 5 40 JKBB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 106745138 GLZCVZJGHQNEJE-WQRHYEAKSA-N 477.336 5.383 5 40 JKBB COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl 205701510 BOTWVMQSFGCHPS-RGVLZGJSSA-N 498.900 5.531 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccc(Cl)cc3)nc2N1 940778 GSAHIFGVHAVBKZ-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccc(C)c(C)c1 2110734 VTNGQFGYENYNAQ-UHFFFAOYSA-N 452.532 6.068 5 40 JKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)c1 2245735 UAFDPKXIBVAUTK-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB COc1cccc(N(C(=O)CCc2ccccc2Cl)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3353735 KQELOSGBGYDZFU-UHFFFAOYSA-N 493.972 6.678 5 40 JKBB COc1ccc(-c2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c(-c3ccccc3)[nH]2)c(OC)c1C 9110904 MAEDAMRBPAGTBB-UHFFFAOYSA-N 491.547 7.312 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 9259474 OPYRSVAUTXDXIH-YBFXNURJSA-N 485.315 5.854 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(NCCc4c[nH]c5ccccc45)c4ccccc4n3)CC2)cc1 9679413 MTMLPIXJDXLJLL-UHFFFAOYSA-N 493.571 5.001 5 40 JKBB COc1cc(-c2nnc3ccc4ccccc4n23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9892699 IAJDFDBOFHBUDL-UHFFFAOYSA-N 457.402 5.167 5 40 JKBB CCOC(=O)c1cccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)c1 24522862 YHAWDBRGXXVEHG-BUHFOSPRSA-N 455.470 5.464 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])N1Cc1ccccc1 409114760 QCHGQRGVDDIMCX-HHHXNRCGSA-N 494.507 5.864 5 40 JKBB Cc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409178681 MRCHCZPMVUCABA-UHFFFAOYSA-N 485.279 5.368 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1Cc1ccc(Cl)cc1 409235824 CCSSMTGPGHBBMC-LPYMAVHISA-N 480.929 6.064 5 40 JKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2419013 DJLAWCOOSZLNRT-UHFFFAOYSA-N 451.452 5.349 5 40 JKBB CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 8854678 HJCANLHSJXNDHQ-JWGURIENSA-N 470.481 5.456 5 40 JKBB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ncnn32)cc1 10060359 GENXUDAKCMPIJL-PKTZIBPZSA-N 489.919 5.230 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N[P@@]1(=O)C2=C(N3CCCCC3)CC(C)(C)CC2=NN1c1ccccc1 13302864 XCGQIAWPBCEOGD-DHUJRADRSA-N 493.548 6.902 5 40 JKBB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3c([nH]c4ccccc43)c2=O)c1 17010990 XYFUIKCUSSORLQ-UHFFFAOYSA-N 499.552 5.123 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 35104962 IVFORSBVWCGKFO-UHFFFAOYSA-N 456.332 5.252 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)n1 97437079 WZHHHDJSUCNATG-KWRFTCENSA-N 455.518 5.248 5 40 JKBB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1cccc([N+](=O)[O-])c1 100884317 HWHBVHVSEBRBNC-OAQYLSRUSA-N 472.892 5.148 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 214991892 CGECBDOENSVBOE-RGVLZGJSSA-N 465.443 5.308 5 40 JKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223775474 CEXZLTMSIDJENG-RPWUZVMVSA-N 472.526 5.436 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(Cl)cc1 409171270 ZSDDQFLEPZDWCQ-YBFXNURJSA-N 483.889 5.183 5 40 JKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 409172401 HHCJNQZBEKLEGM-FYJGNVAPSA-N 477.498 5.092 5 40 JKBB O=c1c2cc([N+](=O)[O-])ccc2oc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc(O)c12 1772820608 BRBFEAYMCMDULD-UHFFFAOYSA-N 488.477 5.028 5 40 JKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 2428938 ZARRGZASXIWIAU-CQSZACIVSA-N 462.351 5.326 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C 6471888 XPDXDRYYPOAONP-DFHRPNOPSA-N 499.611 7.079 5 40 JKBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc([N+](=O)[O-])cc4C)o2)N3)C1 8921697 UDXLITNQHGEUHW-HXUWFJFHSA-N 482.518 5.168 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 32124787 SEKVAKKOOYORII-CIAFOILYSA-N 482.970 6.949 5 40 JKBB COc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 106335895 CWQMVMLPBLERJC-UHFFFAOYSA-N 472.448 6.021 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl 106740853 FEZJJDXCVKVYTC-WCSRMQSCSA-N 461.685 5.931 5 40 JKBB CCc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)O)n[nH]1 408632507 QOTUIROHNSLEGW-MHWRWJLKSA-N 462.940 5.298 5 40 JKBB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1)c1ccccc1 408992533 SIFVRFBDZYZDFO-KZQOYIJHSA-N 462.505 6.285 5 40 JKBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1ccccc1Cl 409333481 KCUACCSVYOTEMO-UHFFFAOYSA-N 450.889 6.177 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409361485 SVEOCSOSCZJSFV-YDZHTSKRSA-N 492.484 5.232 5 40 JKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 2316686 VHGSCDBLSJPRPV-SANMLTNESA-N 459.571 5.604 5 40 JKBB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2C1 3286747 NXCFRBFSODQAFN-GOSISDBHSA-N 476.529 5.518 5 40 JKBB CC(C)(C)c1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2CCc2ccccc2)cc1 8836286 LKMGRXJHLXZGAZ-UHFFFAOYSA-N 450.538 5.710 5 40 JKBB CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 8902997 MUNYBNCVSLCLBL-UUILKARUSA-N 461.905 6.832 5 40 JKBB Cc1ccc(SCCC(=O)N(Cc2ccccn2)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 9716971 FVWNDWIHPDKYDC-UHFFFAOYSA-N 464.572 5.624 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc12 10010628 UTJIGPPHFZIUCM-SOFGYWHQSA-N 469.906 6.087 5 40 JKBB CCc1ccc(-n2nc3ccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)cc3n2)cc1 57315702 AAGRWARROVEACU-UHFFFAOYSA-N 477.933 6.012 5 40 JKBB Cc1c(O)ccc2c1oc1c(C3=Cc4ccccc4OC3)c3c(O)nn(C4CCCCCCC4)c3nc12 79483541 WFNMMXLONODAPL-UHFFFAOYSA-N 495.579 7.269 5 40 JKBB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1)c1ccccc1 408992529 SIFVRFBDZYZDFO-ITHJLQSDSA-N 462.505 6.285 5 40 JKBB Cc1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409272896 UDVWEIDDMIUWFW-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 409334900 JBOYZAMIRKSZKV-MQNAVGNWSA-N 465.303 5.557 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 907444 NEVNKIYIZBYVTQ-UHFFFAOYSA-N 463.494 5.021 5 40 JKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2308291 BGOIMABVNWRNSD-UHFFFAOYSA-N 476.378 5.545 5 40 JKBB O=C(OCc1nc2ccccc2s1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3282868 VRNDOOJNVKQNOB-UHFFFAOYSA-N 452.875 5.446 5 40 JKBB Clc1c(Cl)c(Cl)c2c(c1Cl)OC[C@@H](c1ccc3cc4ccccc4cc3c1)O2 3844425 DGUGRHYLLRMJBK-INIZCTEOSA-N 450.148 8.119 5 40 JKBB biogenic CCCCC(=O)Oc1cn(-c2ccc(OCC)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9124309 ABECCGSBZBDXIU-UHFFFAOYSA-N 484.600 6.663 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(-c3[nH]ncc3Oc3ccccc3Br)c(O)c2)cc1 9280942 JZCQFBOOJJAXPJ-UHFFFAOYSA-N 482.290 5.824 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(C(F)(F)F)c(Sc3ccc([N+](=O)[O-])cc3)n2)cc1 13282883 LTEYOHSWCXKPGV-UHFFFAOYSA-N 453.423 6.219 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 102788401 IZQAUHOWKOHMIF-GDJIYFAZSA-N 485.515 6.694 5 40 JKBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409105922 JZLSBEXYGDCSFL-LBFZPMSMSA-N 496.419 5.004 5 40 JKBB Cc1ccc(-c2csc3nc4c5ccccc5c(SCc5ccco5)nn4c(=O)c23)cc1 1094900 GDHHGAQSAMQRSF-UHFFFAOYSA-N 455.564 6.318 5 40 JKBB Cc1ccc(C(=O)N(c2ccc3oc4c(c3c2)CCCC4)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9030612 LHOGKPHCYMBLOJ-UHFFFAOYSA-N 490.537 5.564 5 40 JKBB Cc1ccc(Nc2nc(Nc3cccc([N+](=O)[O-])c3)nc(Sc3nc4ccccc4s3)n2)cc1 9113806 ISEOQOCCRXCLNC-UHFFFAOYSA-N 487.570 6.336 5 40 JKBB Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3cc(Br)cc(C)c3n2)cc1 9371749 ZJUYBHVAZOSCRI-UHFFFAOYSA-N 476.330 6.442 5 40 JKBB Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 12342115 BSDIPDLPXDHLPK-UHFFFAOYSA-N 469.284 5.220 5 40 JKBB CCOc1ccc2nc(SCC(=O)N(CCc3ccccc3)c3ccccc3[N+](=O)[O-])sc2c1 16693092 UNHVDXXNYDHQGZ-UHFFFAOYSA-N 493.610 5.971 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCC[C@H]1c1nc2ccccc2s1 32888472 JNRBLRZGEAPEHL-QHCPKHFHSA-N 453.567 5.518 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 37073943 CRYDTGWOULSLPD-OAIYOMOFSA-N 460.961 7.124 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 59433375 WWTDWXUBCMMRJT-ZQFKLAOWSA-N 458.901 5.209 5 40 JKBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)c(OC)c1OC 95473743 HHKBTKGFETYJTB-UHFFFAOYSA-N 475.501 5.550 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 101020483 AIHCKNJVFMRKQY-VTJDKEBTSA-N 498.930 5.548 5 40 JKBB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223782661 KYLAKQQKRBOBST-DNQXCXABSA-N 472.526 5.436 5 40 JKBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224552750 KDOHOVVJRCRNMM-DNQXCXABSA-N 472.526 5.436 5 40 JKBB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408608167 MVGSSDXSWYAZSG-UHFFFAOYSA-N 478.288 6.613 5 40 JKBB Cc1c(/C=C2\S[C](Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408808195 DZUWJUYTCAJTBU-UHFFFAOYSA-N 487.536 5.808 5 40 JKBB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Br 409176346 LBSYHHXZUPOKOV-OAQYLSRUSA-N 454.276 5.447 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1cccc([N+](=O)[O-])c1 409260547 RWFZFJCBTCFZOB-UHFFFAOYSA-N 463.515 5.439 5 40 JKBB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 907426 FYDWITLIDMXHJZ-UHFFFAOYSA-N 487.541 5.084 5 40 JKBB CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1 1790868 KKXOLDNKUUXADB-UHFFFAOYSA-N 466.950 6.187 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 8832166 QYAZERKIDWWJCC-UHFFFAOYSA-N 467.485 5.712 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccccc1 27496646 DEFXGNMZSOPRIT-UDWIEESQSA-N 463.427 5.536 5 40 JKBB O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)Nc1ccccc1Cn1cncn1 72232562 SWZYQBCXXPNOCJ-UHFFFAOYSA-N 458.521 5.825 5 40 JKBB COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C(\C)[N+](=O)[O-])cc1 107825947 DCCPHBFPHAEYMX-JXMROGBWSA-N 471.101 5.077 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214151498 KPPUWHRDNXVBJT-UDWIEESQSA-N 463.471 5.027 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408570330 KXPMJKPHCYXLTB-XUCOSSOOSA-N 498.366 5.141 5 40 JKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)O)n[nH]1 408631824 LYFMZOWHDOOVPX-UNOMPAQXSA-N 497.920 5.050 5 40 JKBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O 9422044 DHIJVTZBWQCMRI-UHFFFAOYSA-N 458.474 5.270 5 40 JKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)nc4ccc(F)cc34)o2)cc1 12486780 CCAGOJLSVYBJDR-UHFFFAOYSA-N 459.462 5.686 5 40 JKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)sc2c1 20411474 HDNFCXJWCCBOOQ-UHFFFAOYSA-N 489.962 6.282 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@@H]12 22565997 DFFUMHSSRAQJEI-FGEXJBCWSA-N 458.901 5.209 5 40 JKBB O=C(Nc1ccc(I)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 34967741 ADYGEDLKLUOIEB-UHFFFAOYSA-N 468.634 5.365 5 40 JKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)c1 59294038 UJYWKJUVFHLWDN-UHFFFAOYSA-N 477.929 7.140 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccc(F)cc4)n3-c3ccc(F)cc3)c1)OCOC2 89793873 ZVLWKKMYWQLSFH-UHFFFAOYSA-N 482.468 5.280 5 40 JKBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2c(C)c(O)ccc23)ccc1OCC(=O)O 96116231 LQGYJUOTJJTRMA-UHFFFAOYSA-N 461.474 5.065 5 40 JKBB biogenic O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 409336010 PIGAASKLFMRCMF-UHFFFAOYSA-N 484.441 6.542 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3cc(Cl)cc(Cl)c3)c2ncn1C1CCCCC1 2318904 DATQQWNNCCXLMD-UHFFFAOYSA-N 464.356 6.096 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120094 PBWBTQYICYTBAQ-NTCAYCPXSA-N 465.465 6.239 5 40 JKBB O=C(CSc1ccc(Cl)cc1)N(Cc1cccnc1)c1nc2ccc([N+](=O)[O-])cc2s1 10187732 OSBXAPAWFSKKFE-UHFFFAOYSA-N 470.963 5.578 5 40 JKBB Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc12 13131496 XSAQABQUWXENQA-UHFFFAOYSA-N 486.340 6.387 5 40 JKBB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20807812 HGLYFXPVZOINFB-UHFFFAOYSA-N 475.913 7.037 5 40 JKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224243591 FJDVVUWUYWSYGT-DEOSSOPVSA-N 483.634 5.003 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccccc1 408574459 UVQOKGJONBWBCV-HSZRJFAPSA-N 464.522 5.404 5 40 JKBB COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409109748 KPAXDYQSDWIHNI-UHFFFAOYSA-N 471.351 6.174 5 40 JKBB CC(C)C(=O)Oc1cn(-c2ccc(C(C)C)cc2)c2nc(C(C)C)n3c4ccccc4nc3c12 2395416 OENQBPCXQMKUAF-UHFFFAOYSA-N 454.574 6.635 5 40 JKBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2422671 KFLHDUGUNAPABJ-UHFFFAOYSA-N 452.345 5.781 5 40 JKBB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)c2ccc([N+](=O)[O-])cc2)nn1 9578222 KFAQFVCPSFGWBZ-UHFFFAOYSA-N 466.519 5.598 5 40 JKBB Cn1ccnc1Sc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 9631511 LCHWPPZXYHUURY-GXDHUFHOSA-N 452.517 5.105 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccnn1Cc1cccc(Cl)c1Cl 12609356 ZCPZXABFXDBNAU-UHFFFAOYSA-N 477.351 5.345 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 16284340 MFVNTHSCFJNLHU-ZRDIBKRKSA-N 483.915 6.096 5 40 JKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 20140685 HSDDPIOGDMOVHT-UHFFFAOYSA-N 468.849 5.521 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)ccc3o2)c(C)c1 21595562 OFCHVSSPPFELKE-UHFFFAOYSA-N 477.929 7.140 5 40 JKBB CN1/C(=C2/C=NN(c3ccccc3)[P@@]2(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)c2ccccc21 103443233 UNKVVKOHVFNAMB-ALPQMMOGSA-N 473.473 6.345 5 40 JKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225352773 AQUOMLPFICGHDD-IZZNHLLZSA-N 499.596 5.745 5 40 JKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)c(Cl)c2)cc1 408681744 INYWEVVTJAHMHZ-QFIPXVFZSA-N 478.353 5.998 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc(F)cc2)N1Cc1ccccc1 409118556 OAYSSDZIRKLIPI-MHZLTWQESA-N 467.500 6.095 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1C 409346153 MMLWLXGAJUIXMT-CIAFOILYSA-N 477.498 5.147 5 40 JKBB COc1c2c(cc3c1[C@H](CC(=O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 1815970 LGRJPKHZNMLPAF-CYFREDJKSA-N 492.680 6.274 5 40 JKBB biogenic O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3115126 DYDCFYBPZKUBLQ-UHFFFAOYSA-N 456.773 5.356 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 8832279 GNHIDIVYZYFTKH-UHFFFAOYSA-N 452.121 6.151 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9232584 VRWBMEXBFVDHTL-LPYMAVHISA-N 464.474 5.549 5 40 JKBB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 13109706 KKAFBNJHJLNQHN-UHFFFAOYSA-N 497.939 5.425 5 40 JKBB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3Cl)nc2c1 13946046 UXWBARIANPOFGR-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 14152781 XUEOZXVZDDPECT-UHFFFAOYSA-N 498.870 5.463 5 40 JKBB Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 14273192 BXKKBJMEJMAWIM-YRNVUSSQSA-N 460.873 5.982 5 40 JKBB Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 16992375 HEAFUEWQKSAPIA-UHFFFAOYSA-N 469.573 5.276 5 40 JKBB CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)[C@H]5CCCC[C@@H]5N4)cc3[N+](=O)[O-])sc2c1 59488084 JLCWXXGKLDNDHR-QYWGDWMGSA-N 484.603 5.031 5 40 JKBB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 101346136 DEMNSLWDSDGRNW-UHFFFAOYSA-N 464.817 5.003 5 40 JKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)S2)cc1 408773823 JFYJQGUXGGSRDD-MFCBUNOESA-N 484.581 5.760 5 40 JKBB Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1C 409102407 SQEQFVGNCOUJJD-UHFFFAOYSA-N 450.951 6.405 5 40 JKBB COc1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)cc1[N+](=O)[O-] 409332176 CKYIZJUGQQXGFT-IYBDPMFKSA-N 483.571 5.185 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2265691 OSVWZTCUVJDIGD-UHFFFAOYSA-N 489.579 6.656 5 40 JKBB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 4013074 JRWRGKALYVCOBD-UHFFFAOYSA-N 480.926 5.451 5 40 JKBB COc1ccc(CCn2c(-c3ccc(C(C)(C)C)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 8836291 HEYRQRZNXYCFGP-UHFFFAOYSA-N 480.564 5.719 5 40 JKBB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 8952275 ARJBZCFGAHBHDX-NRFANRHFSA-N 496.516 5.213 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 9500004 BXZWSGLNCZWANP-IBGZPJMESA-N 465.922 5.505 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)nc12 11666979 DYBTULHSXWDCDI-UHFFFAOYSA-N 456.483 5.681 5 40 JKBB COc1ccc(CN(C)Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c2=S)cc1OC 13098917 YOKDPJZEIAVNSB-UHFFFAOYSA-N 491.573 5.085 5 40 JKBB COc1cc2nc(SCc3cccc(F)c3)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 20216212 TYTPMQZURQGTCA-UHFFFAOYSA-N 491.504 5.301 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(Cl)c2)cc1 20454126 BALQYXCWJGKRST-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB CCc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nn12 57313037 DKQNFOKJFQEXKM-WYMLVPIESA-N 486.513 5.235 5 40 JKBB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315909 PZOKDIPLQKXSFN-UHFFFAOYSA-N 465.943 6.992 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205698434 HROGVSFKCFGXPM-VXLYETTFSA-N 485.861 5.653 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1[N+](=O)[O-] 214135176 KQXXSVAQNKCWBU-RGVLZGJSSA-N 454.891 6.053 5 40 JKBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224545490 GBVPRKCHWVJARF-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 408694669 LOXHTOQOVZMTAB-UHFFFAOYSA-N 468.300 5.710 5 40 JKBB O=C(Oc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1)c1ccccc1 408992540 SIFVRFBDZYZDFO-PKXQUSJVSA-N 462.505 6.285 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 888190 KJBMOPPZFXOLSK-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB Cc1cccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)c1 6442597 URQAFXRIIRNPLO-UHFFFAOYSA-N 488.573 5.135 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=C2\SC(=S)N=C2O)cc1Cl 8766488 MPBWUDPFPIHRNH-NSIKDUERSA-N 460.842 6.388 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCN(C)Cc4ccccc4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9543308 BBNSNEXLZBVOHQ-UHFFFAOYSA-N 489.575 5.793 5 40 JKBB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9731095 AELIJYPKJGGAMT-UHFFFAOYSA-N 493.031 7.062 5 40 JKBB CCOC(=O)c1c(NC(=O)c2sc3cccc([N+](=O)[O-])c3c2Cl)sc2c1CCCC2 16683092 BPTJJSOAXLVPLY-UHFFFAOYSA-N 464.952 5.832 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 57315661 CCKICMIWLFNEFI-NTCAYCPXSA-N 472.884 6.391 5 40 JKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)cc1 226069310 KANDBEBFPLQTOH-GDLZYMKVSA-N 496.756 6.748 5 40 JKBB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4c5ccccc5C[C@@H]43)cc2)cc1 408993054 BRXBQGUWHJCDAW-BKHJTQGXSA-N 462.549 6.953 5 40 JKBB COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409114579 ILBCFBPUQUMUTP-UHFFFAOYSA-N 471.351 6.174 5 40 JKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc12 409178577 GWPUSSDFKRXJIK-MHZLTWQESA-N 483.480 5.029 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 409190724 QEUAMAIGXOSYLY-FYJGNVAPSA-N 466.902 6.068 5 40 JKBB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 409234941 BAWKTLRJJIIGJZ-XDHOZWIPSA-N 476.938 5.672 5 40 JKBB C[N+](C)(Cl)CCC(=O)Oc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1570009234 NWZHQBVNCBVSDK-UHFFFAOYSA-N 483.031 7.220 5 40 JKBB O=C1c2ccccc2-c2ccc(N(Cc3ccc([N+](=O)[O-])cc3)Cc3ccc([N+](=O)[O-])cc3)cc21 1608855 BVMBVRHQQQEODL-UHFFFAOYSA-N 465.465 5.921 5 40 JKBB CC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccc(C)cc3)cc12 8765770 QCYHUHJTTKSRCN-UHFFFAOYSA-N 492.509 5.196 5 40 JKBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 8832228 PDNKHBFPDIHIJF-YCRREMRBSA-N 451.845 5.082 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 8874775 LGAUGJGMTQGVFN-UXBLZVDNSA-N 494.985 6.051 5 40 JKBB COc1ccccc1NC(=O)[C@H](C)Sc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 9467789 YKZAIEMCGUYDQR-HNNXBMFYSA-N 478.530 5.070 5 40 JKBB O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 9636678 NVSRYIFVBUTHEE-ZJZGAYNASA-N 475.342 5.345 5 40 JKBB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNCc3ccc4ccc5cccc6ccc3c4c56)CCC[C@]21C 16949675 MGHLOQFXADVOMU-KUAYXKFLSA-N 499.742 9.508 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115316 QFNVJUMQWXGPOW-QPJJXVBHSA-N 455.804 5.987 5 40 JKBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC 79193223 VHBDEOMDWUEHFY-UHFFFAOYSA-N 473.529 5.909 5 40 JKBB biogenic O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214990430 AVKYIYWJAPSWSB-YBFXNURJSA-N 474.416 6.110 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1c(F)cccc1Cl 215280982 XBOQPYRFTDTVCL-DJKKODMXSA-N 493.299 6.537 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 223881127 XLPRHRMBLZTBNF-PKTZIBPZSA-N 458.499 5.133 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 224387011 AECILSYTIXBVES-IZZNHLLZSA-N 484.581 6.550 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 408565121 BFUTWTPOJCOXGT-XMMPIXPASA-N 478.549 5.712 5 40 JKBB Cc1c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cccc1[N+](=O)[O-] 409266823 LFLWARWFKDMIQS-ZPTXYVIGSA-N 453.542 6.452 5 40 JKBB c1c(C[N+]23CCC(CC2)CC3)cc(C[N+]23CCC(CC2)CC3)cc1C[N+]12CCC(CC1)CC2 2191348 SRMQIDQOXPMXQM-UHFFFAOYSA-N 450.735 5.078 5 40 JKBB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 2291475 AZFOAQDJTAJZJU-UHFFFAOYSA-N 469.415 6.720 5 40 JKBB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6246613 MPONSKWNNSGYCC-KRWDZBQOSA-N 459.531 5.270 5 40 JKBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(C2CCCCC2)cc1 8783321 NZYZIHXOSAEVDR-LJAQVGFWSA-N 484.552 5.650 5 40 JKBB CCC(=O)Oc1cn(-c2ccc(Oc3ccccc3)cc2)c2nc(CC)n3c4ccccc4nc3c12 8871235 QCUJWIPBYKMFCB-UHFFFAOYSA-N 476.536 6.497 5 40 JKBB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8893525 VYXZEWLGRACNAF-UHFFFAOYSA-N 498.520 5.468 5 40 JKBB CC(C)CCSc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 12549214 KKXFWSBXBPKNSD-QHCPKHFHSA-N 488.613 6.323 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1[N+](=O)[O-] 14269788 ASJNFINZVCLKLC-JXMROGBWSA-N 462.314 5.688 5 40 JKBB O=[N+]([O-])c1ccc(Oc2ccc(COc3ccc(-c4cnc5ccccc5n4)cc3)cc2)c(Cl)c1 16545606 KOWNPLSOTSSLQS-UHFFFAOYSA-N 483.911 7.230 5 40 JKBB Oc1ccc2c(c1)oc1c(C3=Cc4ccccc4OC3)c3c(O)nn(C4CCCCCC4)c3nc12 79488848 BXWUIBVFLNPYNT-UHFFFAOYSA-N 467.525 6.570 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1 408527909 FXYPAZQWKSJQIT-HMAPJEAMSA-N 462.552 6.291 5 40 JKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 408559665 ATNOVDZWNCLSNU-VHXPQNKSSA-N 468.535 5.363 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F 408574457 UVPRAESGHMACRP-XMMPIXPASA-N 494.548 5.413 5 40 JKBB Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2cc(Br)ccc2O)c(C)c1 408606224 PFVJOGQYJCDBSG-UHFFFAOYSA-N 498.362 5.474 5 40 JKBB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408809483 HQJQWDKWXSCYOV-BKUYFWCQSA-N 496.928 6.077 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OC(C)C 408917130 NGWORSXIJHZPKD-YBFXNURJSA-N 476.938 5.671 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 409214224 WXSYGJUJCPEDIT-CNHKJKLMSA-N 495.727 7.056 5 40 JKBB O=[N+]([O-])c1ccc(Oc2cccc(-c3nc(O)c4c5c(sc4n3)CCCC5)c2)c([N+](=O)[O-])c1 409266923 ZBOSEJZTJLLLJB-UHFFFAOYSA-N 464.459 5.551 5 40 JKBB COC(=O)c1sccc1OCc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 8781542 HIXALVGRQKWFHD-UHFFFAOYSA-N 458.542 5.783 5 40 JKBB COc1ccccc1Nc1c(C(=O)Nc2ccc(C)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 8809816 IRBSPYRTTMMTRK-UHFFFAOYSA-N 456.842 5.469 5 40 JKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1cc(C(F)(F)F)ccc1Cl 20618210 VUTYPFYWWMODEQ-UHFFFAOYSA-N 486.906 6.439 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 22748167 CAEPORRUMFFELM-UKTHLTGXSA-N 489.963 6.285 5 40 JKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 32112030 WFRXLHWADQGZBF-UHFFFAOYSA-N 473.872 6.227 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1[N+](=O)[O-] 32116450 NLQQKMPWRSUGQL-UHFFFAOYSA-N 490.541 5.545 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1Br 106730709 NIFLNPOBNDKPGD-UUASQNMZSA-N 488.146 5.901 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224409822 NWJABVQZOFLTJB-GOTSBHOMSA-N 459.506 5.097 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408607232 KCQABIPNTLJDIK-UHFFFAOYSA-N 490.343 5.848 5 40 JKBB Cc1c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cccc1[N+](=O)[O-] 409266825 LFLWARWFKDMIQS-ZYAQVELZSA-N 453.542 6.452 5 40 JKBB COc1cc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc([N+](=O)[O-])c1 865649 OMVSFQSHWFIUJW-HZPDHXFCSA-N 495.845 5.366 5 40 JKBB O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1)c1ccccc1[N+](=O)[O-] 1787493 LXGLASJQYWNJDY-UHFFFAOYSA-N 482.242 5.475 5 40 JKBB O=[N+]([O-])c1ccc(/C=C/c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c23)cc1 2270134 SNJZJDJQUBXFTL-FMIVXFBMSA-N 453.501 7.682 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c(Cl)c3)c2ncn1Cc1ccccc1 2292753 CGXIPMAIEANHJB-UHFFFAOYSA-N 472.335 5.639 5 40 JKBB COc1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1 8854104 VTSHPBRHVUGYCH-UHFFFAOYSA-N 456.545 7.734 5 40 JKBB O=C(O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1ccccc1[N+](=O)[O-] 8856057 HLPNYBVVSFSEFN-AREMUKBSSA-N 481.483 6.078 5 40 JKBB Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)n2c2ccccc12 9376374 GHUFRIVIUBEMLI-GFCCVEGCSA-N 475.452 5.237 5 40 JKBB 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CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223841496 DWKUNRHONIEVBR-DQEYMECFSA-N 486.553 5.826 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccs3)cc2)cc1 224760649 VSQBFGHTARQQHE-XZOQPEGZSA-N 490.635 6.380 5 40 JKBB Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409110506 CWEKEAXQFSMOJZ-UHFFFAOYSA-N 461.743 6.510 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(Cl)c2)N1Cc1ccccc1 409118644 QDPOLUPVIJRJFN-MHZLTWQESA-N 483.955 6.610 5 40 JKBB COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409347101 LVEUMDZSMFSYIE-LZYBPNLTSA-N 454.382 5.081 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] 2373031 MGGCAKSBMCMUBJ-UHFFFAOYSA-N 487.899 6.861 5 40 JKBB Cc1cc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)ccc1[N+](=O)[O-] 8832114 FWDPVEYCPAMBRF-UHFFFAOYSA-N 457.873 6.770 5 40 JKBB Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 9614918 NYDUOUXTTSUJCP-UHFFFAOYSA-N 453.351 5.334 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 12860484 KVFGDIJNQLHQKX-MRXNPFEDSA-N 484.622 5.149 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 14406314 PGINLMWMTCCLHB-UHFFFAOYSA-N 463.946 6.908 5 40 JKBB Nc1cc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)ccc1Cl 15135370 GTXDPDHASWRQOR-GNVQSUKOSA-N 453.954 7.331 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc2oc3c(c2c1)CCCC3 16044461 JLSZZUAWXGZEMN-UHFFFAOYSA-N 456.520 5.187 5 40 JKBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)ccc1OC(C)C 79473944 QOJKHZOUZPUIED-UHFFFAOYSA-N 487.556 6.710 5 40 JKBB COc1ccc(C[N+]2(C[C@H](O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CCCC2)cc1 226070909 KWJXPWPHKJYWQS-DEOSSOPVSA-N 454.675 5.841 5 40 JKBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408564672 DNSIGFNSTHVEOC-RZPHLTDDSA-N 498.366 5.094 5 40 JKBB O=[N+]([O-])C[C@@H](c1ccccc1OCc1ccc(Br)cc1)c1c[nH]c2ccccc12 408575070 VXTCGYVNOIZLRQ-NRFANRHFSA-N 451.320 5.918 5 40 JKBB Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3cccc([N+](=O)[O-])c3)n2)cc1 409176728 WAZRIJDZTBQKAF-UHFFFAOYSA-N 473.510 5.636 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 409178761 HZSMLQVMIMWRGW-UHFFFAOYSA-N 453.281 6.474 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 409179784 SJUVEUQTSZIBOR-KGVSQERTSA-N 492.340 5.354 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1 409349363 QGNVUEBFGARPLI-SOFYXZRVSA-N 471.705 5.474 5 40 JKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409363286 VKPNGADEIFYYKN-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB COc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 6924938 ASMJJGWILQAWPE-JOCHJYFZSA-N 480.318 5.357 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cccc1[N+](=O)[O-] 8893125 CRZZWTBNMVZUDM-UHFFFAOYSA-N 482.974 5.960 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232841 RPBPKYMABFRHLC-LPYMAVHISA-N 464.474 5.549 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccccc1 10059779 ICNKPEAPFTZAJC-RTWAWAEBSA-N 459.893 5.221 5 40 JKBB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 12546907 KNWXHOQDXDCSDW-JZXOWHBKSA-N 463.534 5.295 5 40 JKBB CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509750 HAHQLAPNQDZADR-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccc(Br)cc2)cc1 13894177 IHAINXLEDLIEKK-RWEWTDSWSA-N 494.301 5.597 5 40 JKBB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33618779 BNMHBHITZZJNRC-UHFFFAOYSA-N 470.304 5.993 5 40 JKBB Cc1cc(Oc2cc(NC(=O)C34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)cc([N+](=O)[O-])c2)ccc1Cl 102442412 PWPYZOLGNLEJTR-OROZWUPWSA-N 468.981 7.284 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224445372 KJSMDVGYDWXHIT-PKTZIBPZSA-N 460.490 5.566 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408570326 KXPMJKPHCYXLTB-RTFLAGNKSA-N 498.366 5.141 5 40 JKBB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 408749135 DRZUJCGENJFHHZ-IRXDYDNUSA-N 471.560 5.326 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 409179808 TXCSAQDQAAGVON-PLQXJYEYSA-N 498.491 5.200 5 40 JKBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 869029 UJYUMLQBXSGFSW-UHFFFAOYSA-N 489.557 5.102 5 40 JKBB O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1-c1ccccc1Cl 3454884 VPYYNYQPSBPWJU-UHFFFAOYSA-N 477.851 6.117 5 40 JKBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCc4ccc(Cl)cc4)cc3c3ccnc2c31 8792399 OAFUXJIXPWGISD-UHFFFAOYSA-N 470.912 5.842 5 40 JKBB biogenic O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1 9371605 BAUFZMKZCRYRIK-UHFFFAOYSA-N 482.452 5.675 5 40 JKBB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]3c2ccc(OC)cc2)cc1 32694159 UFCFKLZZPZKKNA-GHZINGAMSA-N 487.512 5.642 5 40 JKBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(CCC(c3ccc(C)cc3)=NN2c2ccccc2)S1 59120569 QBQAENDSDALWRX-AREMUKBSSA-N 485.569 5.717 5 40 JKBB O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3ccc4c(c3)OCO4)c12 79193700 NHKSTHZOHULNKU-UHFFFAOYSA-N 471.513 6.011 5 40 JKBB biogenic O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1c(Cl)cccc1Cl 214718281 UMGDQYOFJNKATF-VXLYETTFSA-N 475.309 6.398 5 40 JKBB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409351323 SNVSDQJHZCQNAG-IWIPYMOSSA-N 490.537 5.846 5 40 JKBB Cc1cc(C)cc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(Cl)c(Cl)c2)c1 2376592 PNESLCFFAVBHDC-UHFFFAOYSA-N 486.362 6.196 5 40 JKBB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12 8445981 SEJFZEOLLNEFEO-UHFFFAOYSA-N 451.551 6.189 5 40 JKBB Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])c4cnccc34)nnc2-c2ccccc2)cc1C 12631556 ZKMSIQHCHWXSJB-UHFFFAOYSA-N 453.527 6.159 5 40 JKBB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 20610175 YDYSXPPJEAWTEI-UHFFFAOYSA-N 483.484 5.412 5 40 JKBB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 20970349 JHLRPPKJNRYALT-XMMPIXPASA-N 469.501 5.271 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106706919 SSDXBFFJACYNIF-BKUYFWCQSA-N 477.498 5.336 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1 224418416 LUEFCOOXTQFHSQ-GOTSBHOMSA-N 460.490 5.566 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1 408575485 WIKHDZGIRRYSFW-OAQYLSRUSA-N 495.373 6.235 5 40 JKBB CCN1C(=O)c2cccc3c(Nc4ccc(Br)c(C)c4C)c([N+](=O)[O-])cc(c23)C1=O 408999513 LMFFTGNVCWCBRR-UHFFFAOYSA-N 468.307 5.487 5 40 JKBB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 409050636 YACRBDWTZKZGDI-JLPGSUDCSA-N 490.537 5.598 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 409148309 YCRQTHCHIXDLEF-HYARGMPZSA-N 452.532 5.790 5 40 JKBB Cc1ccc(CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)C2=O)cc1 409238511 DSKYHQYZTXYBFJ-WGOQTCKBSA-N 493.519 5.728 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409355936 FWLKFKBUGJZGRR-QRVIBDJDSA-N 492.484 5.232 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 888192 RDHQHUHSVCTOTH-UHFFFAOYSA-N 465.922 5.227 5 40 JKBB O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9210591 GTIWCDBYJAWIOT-WMZHIEFXSA-N 494.301 5.328 5 40 JKBB O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])[nH]c2-c2ccccc2)cc1 9310168 QNGWMFSXHWVGPY-UHFFFAOYSA-N 463.468 6.689 5 40 JKBB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C 11614259 LSGILRDBRWHJHI-SFHVURJKSA-N 467.890 5.178 5 40 JKBB Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-] 14269452 DBPCUZXJMPTUPN-UHFFFAOYSA-N 450.303 5.597 5 40 JKBB COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)ccc3o2)c1 21579371 NBBVZLMIOSKMBR-UHFFFAOYSA-N 485.452 5.933 5 40 JKBB CCN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3s2)C1 23153843 GPDVVDAMCIWGKB-UHFFFAOYSA-N 464.572 5.563 5 40 JKBB COc1ccc2[nH]c(=O)c(-c3c4oc5cc(O)ccc5c4nc4c3c(=O)[nH]n4C3CCCCC3)cc2c1 95479224 LERPBYDCWBQICL-UHFFFAOYSA-N 496.523 5.352 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C 409224153 IZJWZIUOAOTDSM-UUYOSTAYSA-N 462.483 5.391 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc3c4ccccc4nc(SCc4cccc([N+](=O)[O-])c4)n3n2)cc1 2968955 YBDANAWDGOWHIC-UHFFFAOYSA-N 458.459 5.053 5 40 JKBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(Cl)cc2)c1Sc1ccccc1[N+](=O)[O-] 3252017 SQMSXJQSCAQXDR-UHFFFAOYSA-N 465.918 6.113 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 8899169 CTISLPPLXPTZDZ-KRXBUXKQSA-N 488.714 7.015 5 40 JKBB O=[N+]([O-])c1ccc2nc(/C=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)sc2c1 12528709 OKWIFJAKTLRULV-YRNVUSSQSA-N 482.521 5.999 5 40 JKBB CN(Cc1ccccc1Cl)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12564306 VGVLXRZHEOZLDY-UHFFFAOYSA-N 455.864 5.142 5 40 JKBB Cc1noc(-c2ccc(C(=O)O[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)cc2)n1 12806455 CJZJIKBZNSMGKL-OAQYLSRUSA-N 492.875 5.143 5 40 JKBB CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509720 MTEGSNFQFKFSOM-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224545582 GBVPRKCHWVJARF-BJKOFHAPSA-N 472.526 5.436 5 40 JKBB O=C(Nc1cccc(Br)c1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408976949 UADXQKBZQWMPNO-UHFFFAOYSA-N 495.340 6.286 5 40 JKBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 409176673 UQAWSJRHLUNDOG-NDEPHWFRSA-N 482.492 5.634 5 40 JKBB Cc1ccc(NC2=C(CC(=O)O)[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(C)cc3)C2=O)cc1 2332625 OZKPVNMMCSQQQK-RUZDIDTESA-N 457.486 5.140 5 40 JKBB Cc1ccc(NC(=O)[C@H](OC(=O)c2c3ccccc3cc3ccccc23)c2ccccc2)cc1Cl 3321196 VYVAVEWODNOKAT-MUUNZHRXSA-N 479.963 7.492 5 40 JKBB CCOc1cc([C@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 8721973 WZGULNMMYNMXHW-NRFANRHFSA-N 481.530 5.054 5 40 JKBB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12 9065295 XYPXFBKSVZOWAH-UHFFFAOYSA-N 461.426 5.413 5 40 JKBB biogenic Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 9233630 BJAIXZCDTFJRKK-UDWIEESQSA-N 496.932 5.022 5 40 JKBB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9517009 ZSMPLEFRUXIDPO-UHFFFAOYSA-N 476.358 5.306 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2nc(-c3cccc([N+](=O)[O-])c3)nc2N1 9637992 GAMBKZFGMMJIQL-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372862 PCPRBGDUNIBABY-UHFFFAOYSA-N 461.484 6.054 5 40 JKBB COc1ccccc1-n1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2cc([N+](=O)[O-])ccc21 12582322 CBEBUHOWXQUQKF-INIZCTEOSA-N 474.542 5.012 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccccc2C)c([N+](=O)[O-])c1 12657817 YXLSRSZGIQGSIF-UHFFFAOYSA-N 498.568 5.671 5 40 JKBB CCOCCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccc(Cl)cc1 89986942 ZAGXDYRSMPKJNP-UHFFFAOYSA-N 490.969 5.092 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1Cl 205702061 SHIFAHGZLPNNNP-VXLYETTFSA-N 458.854 5.884 5 40 JKBB O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 408757297 LTEZKYAIHRFGDU-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1[N+](=O)[O-] 408906566 HLYFXHBSPUPXAK-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 409181613 DPPUZAGOGKIFNR-UHFFFAOYSA-N 475.284 5.276 5 40 JKBB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284137 ZCGPYALUKSIHQS-NSHDSACASA-N 456.442 5.128 5 40 JKBB CC1CCN(c2ccc(C(=O)N(C3=N[C@@H](C)CS3)c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 12547006 XLHREBPGUOEHEM-INIZCTEOSA-N 472.998 5.623 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14272712 NJBHOOZPSOERCV-UHFFFAOYSA-N 470.533 5.052 5 40 JKBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20797526 APVMKIKASJYTHD-JOCHJYFZSA-N 459.893 5.526 5 40 JKBB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1OC 22711599 YXVXCWIBRXHWNX-UHFFFAOYSA-N 475.501 5.208 5 40 JKBB Cn1ccnc1[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1ccccc1 23774357 PTJSSIYFHPIXKZ-JOCHJYFZSA-N 462.893 5.293 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1cccc(Cl)c1 44086071 RNIRZFTVMLGGBM-UHFFFAOYSA-N 464.934 5.832 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 106684813 WRKZHFYFHPFYPT-JAIQZWGSSA-N 454.891 6.053 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 106685875 YBABLUAGEGRBPI-XKZIYDEJSA-N 480.929 6.064 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1 224451844 RACSCUPHXNYNFJ-GOTSBHOMSA-N 460.490 5.566 5 40 JKBB C[C@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)C1 225506814 LSZDVCGUFRSNPG-OYRHEFFESA-N 465.594 5.402 5 40 JKBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 408757753 QNPMVSKVIAPSGU-UHFFFAOYSA-N 488.297 6.055 5 40 JKBB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409010825 LSOZIRLVCIMNFX-OTGIAGGSSA-N 491.363 5.771 5 40 JKBB CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409014456 PWHWZZGMKXVMQR-YQCVNYCESA-N 462.527 6.162 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409052694 LOJYFGUSIZYAHZ-UHFFFAOYSA-N 464.434 5.685 5 40 JKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1 409353048 XZSABLAZRJWOMS-IDUWFGFVSA-N 480.329 5.193 5 40 JKBB CC[C@H]1CCc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)c(=O)c23)C1 2186682 MUJQZOPBLRSIJT-INIZCTEOSA-N 477.611 6.163 5 40 JKBB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 6196153 FKOKQATZFRSNFY-UHFFFAOYSA-N 477.542 5.416 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCC(C)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 8997478 SVTBRBOYXZJEGJ-UHFFFAOYSA-N 481.596 5.783 5 40 JKBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ccccc2)cc1OC 12371325 FMFJOHNSVUITAW-QPLCGJKRSA-N 461.543 5.617 5 40 JKBB CN(C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)[C@]1(c2ccccc2Cl)CCCCC1=O 12584226 QMZCAOVZTJGOAO-SANMLTNESA-N 483.996 5.739 5 40 JKBB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2-c2nc3ccccc3s2)C1 17297199 FUNKZYBXXNTNGK-UHFFFAOYSA-N 498.542 5.293 5 40 JKBB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 224791112 KQLXEOUBZBHWKL-ZEQRLZLVSA-N 487.610 5.955 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408733546 ZCNNIJJTRFUIQU-JOCHJYFZSA-N 481.892 5.616 5 40 JKBB Cc1sc2nc(-c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)nc(O)c2c1C 408734939 LSOZZZYDMKILNC-UHFFFAOYSA-N 457.511 6.321 5 40 JKBB Cc1ccc(OCc2ccc(C(=O)Oc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409180290 XUXWTCXJKOQAOP-UHFFFAOYSA-N 455.466 6.494 5 40 JKBB O=C1S/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 409352677 YJFGQUSIJIAYNQ-JAIQZWGSSA-N 497.872 6.190 5 40 JKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)c1 1807068 BCDNAOCWEMINJR-CKAVDDEVSA-N 477.589 7.575 5 40 JKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(Nc2ccccc2Br)s1 8916913 ZSLOFCZPHZRATB-UHFFFAOYSA-N 450.317 5.971 5 40 JKBB CC(C)C(=O)Oc1cn(CCc2ccccc2F)c2nc(C(C)C)n3c4ccccc4nc3c12 9124053 ZDEMPMBLEMMMNI-UHFFFAOYSA-N 458.537 5.904 5 40 JKBB O=[N+]([O-])c1cccc(Oc2nc(Cc3ccc(Cl)cc3)nc3scc(-c4ccc(F)cc4)c23)c1 13095875 NFYYGNRYAFBJLV-UHFFFAOYSA-N 491.931 7.442 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 13134059 MFWWICBCDMOQEH-DVSDUFGPSA-N 480.590 5.421 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)o1 13371667 BJOSBOMAJZWWEP-UHFFFAOYSA-N 475.888 6.321 5 40 JKBB CCCCOC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OCC)cc3)n2)cc1 16639053 OVBXWNNIJQVRTF-UHFFFAOYSA-N 465.510 5.536 5 40 JKBB CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 19928808 VBYOJRGGYYJLHN-UHFFFAOYSA-N 486.768 5.564 5 40 JKBB O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)c(Cl)c1 210215034 GEGWPVVSGMMCJF-ZDLGFXPLSA-N 461.282 6.403 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224409501 FIGJZTWEVLKYGI-DHIUTWEWSA-N 459.506 5.097 5 40 JKBB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 226767626 ZLPFQSGTGSNWIF-UHFFFAOYSA-N 469.247 5.267 5 40 JKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)c1 408559459 ZVQWAPKOTNYDER-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 409174393 RWIHKDOELQWASK-FRKPEAEDSA-N 478.675 5.912 5 40 JKBB O=C(Nc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 409177547 BWHUJONEJYCAFL-UHFFFAOYSA-N 468.465 5.996 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2368262 VCKXSLIZDOLDRJ-UHFFFAOYSA-N 478.383 6.404 5 40 JKBB C[C@@H]1[C@@H]2NC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 4767742 ZPBHDPZFICVTNZ-COJQNKITSA-N 457.861 5.448 5 40 JKBB O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccc(Br)cc4)=Nc4ccc([N+](=O)[O-])cc4N32)cc1 8398019 ILALARCXWHALIM-YHNKWQPZSA-N 465.263 5.330 5 40 JKBB Cc1ccc2oc3cc(NCCCN4CCCC(C)(C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9009908 NBCSBAYIBNSAKD-UHFFFAOYSA-N 495.623 6.173 5 40 JKBB CCn1c(=O)c2oc3ccccc3c2n2c(C(=O)c3ccc(Br)o3)c3ccccc3c12 16756731 LCXRDLIKKLQCAD-UHFFFAOYSA-N 475.298 5.760 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2-c2ccccc2)cc1 17051309 SFQQVIWNUGNXQG-UHFFFAOYSA-N 471.563 7.161 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 223908672 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O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 10059808 OCHHDOHLDBNZDH-FGZHOGPDSA-N 459.893 5.221 5 40 JKBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C 10120392 OTKRWCPTADJUCR-UHFFFAOYSA-N 470.529 5.550 5 40 JKBB CN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3s2)C1 16837167 FMAMAXKUBVNNPM-UHFFFAOYSA-N 450.545 5.173 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 20797310 JHLOLAZWGGXPNZ-JOCHJYFZSA-N 459.893 5.526 5 40 JKBB CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)N23)cc1 95101142 KGEYAYVLHDNGOM-KKQPZGKBSA-N 457.530 5.593 5 40 JKBB O=C1N/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 408931523 MSEOBUPDJPQQDC-ZDLGFXPLSA-N 458.257 5.255 5 40 JKBB COc1ccc(Br)c2c1-c1nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc1C2 409052284 RCDBFSACYZCFQR-UHFFFAOYSA-N 480.727 5.299 5 40 JKBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1C 847186 WWPXVPOMBZFGAQ-UHFFFAOYSA-N 453.458 5.458 5 40 JKBB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 1839321 DANRHLXLQNBIHK-UHFFFAOYSA-N 466.471 5.311 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(CC)nc32)cc1 2258623 SKJKVPCZOBJBLR-UHFFFAOYSA-N 451.574 5.914 5 40 JKBB Cc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(Cl)c2)cc1[N+](=O)[O-] 3144594 ZYKOZYCECQMLOG-UHFFFAOYSA-N 470.821 5.212 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccc(C)cc1 8990026 DDPCCDIFKQERDF-UUYOSTAYSA-N 492.915 5.879 5 40 JKBB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9716197 QPOYIWZGJMFWDR-UHFFFAOYSA-N 485.374 5.217 5 40 JKBB C[C@@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12908145 GPCCBBMZMYXYAT-NFECSFHCSA-N 465.462 5.690 5 40 JKBB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)C(=O)Nc1ccccc1[N+](=O)[O-] 13526840 KBVKFGRLMMDBOM-SCDSTIRESA-N 499.548 5.875 5 40 JKBB O=C(O[C@@]1(C(F)(F)F)C(=O)Nc2cc(Cl)ccc21)c1cc2c(ccc3ccccc32)oc1=O 33482768 UCBFDOBLEWTMMZ-JOCHJYFZSA-N 473.790 5.166 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N1CCc2ccccc21 44086065 VBMHRROHMVFUFO-UHFFFAOYSA-N 456.527 5.129 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)CC 205702774 JOEWMMBQOMJKFX-PCXKXAPESA-N 456.520 5.407 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 214055659 IVIUYVAKNOLHDT-YDZHTSKRSA-N 476.510 5.419 5 40 JKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224668229 QHWIIDFTJYYZCI-QFIPXVFZSA-N 492.041 5.061 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224879016 ILDRYYWQAOJYQP-DHIUTWEWSA-N 491.960 5.317 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408638694 CZBAXGFFFDJCKN-HNNXBMFYSA-N 481.892 5.041 5 40 JKBB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 408644089 DOISHUOMMHUQPC-UHFFFAOYSA-N 455.470 5.222 5 40 JKBB O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 408676554 DJISDTTZIXSDTE-FKCWEYQYSA-N 491.503 5.296 5 40 JKBB Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408811976 MCYCLLZKPBZMGM-IWIPYMOSSA-N 469.522 6.147 5 40 JKBB S=C(NCCC1=CCCCC1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 409334874 MNJLMYSABMJVCQ-UHFFFAOYSA-N 464.598 6.056 5 40 JKBB CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)[N@]23)cc1 2049251857 KGEYAYVLHDNGOM-AQWTWLKTSA-N 457.530 5.593 5 40 JKBB Cn1c(=O)c2ccc3c4ccc5c(=O)n6c7ccccc7nc6c6ccc(c7ccc(c1=O)c2c37)c4c56 5706912 CHAPEJMGBAWRFE-UHFFFAOYSA-N 477.479 5.139 5 40 JKBB CCOc1cc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8442407 HGDJUDSTHCUHSR-JOCHJYFZSA-N 493.541 5.007 5 40 JKBB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 8833092 ZWJDINVECNSPLP-WEVVVXLNSA-N 492.340 5.697 5 40 JKBB CC(C)CC(=O)Oc1cn(-c2ccc(F)cc2)c2nc(CC(C)C)n3c4ccccc4nc3c12 9124429 OPALJVABWRFBME-UHFFFAOYSA-N 458.537 6.116 5 40 JKBB Cc1ccc2oc3cc(NCCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9425287 FGIOGFFEWQHKLV-IBGZPJMESA-N 481.596 5.783 5 40 JKBB CCN(Cc1cccc(F)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12554984 GSZOZAIUDKVKFL-UHFFFAOYSA-N 453.436 5.018 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(C)cc2C)c1C 13388391 ASCIWFDYUPFCSF-UHFFFAOYSA-N 481.530 5.181 5 40 JKBB COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1[N+](=O)[O-] 14271022 RIEJTAANPZEIPW-UHFFFAOYSA-N 456.332 5.252 5 40 JKBB CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 20610276 RTGHZQBOLUCXQK-UUILKARUSA-N 463.881 5.033 5 40 JKBB Cc1nn(-c2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2Cl)c1=O 101295870 OHAAEVVJTLTHJF-UHFFFAOYSA-N 460.877 5.022 5 40 JKBB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)o1 102873313 IBQFWMBTLOMZAQ-RXVVDRJESA-N 454.280 5.501 5 40 JKBB CCOC(=O)c1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc2c1CC[C@@H](C(C)(C)C)C2 409059239 VRMZOSHBBGMNAT-CQSZACIVSA-N 480.608 5.093 5 40 JKBB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1[N+](=O)[O-] 409176551 RBBHOABGPCNWFH-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c(C)c1 409177699 GKILOJWLNILARJ-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409358894 LZHAPGCQPVZNFL-OEAKJJBVSA-N 474.494 5.093 5 40 JKBB O=C1S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 3769240 VYARNQDYMAXQQR-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB CC(C)(C)c1ccc2[nH]c3c(cc(NCCCN4CCCC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9013982 ZLNOYHSWFOTECA-UHFFFAOYSA-N 495.623 6.136 5 40 JKBB Cc1ccc(-n2c(C)c3c(c2C)[P@](=O)(Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)N=C3)cc1 12564813 XNRRYRMTRKLAGG-DHUJRADRSA-N 485.484 6.095 5 40 JKBB COc1cccc(-c2ccc(Cn3c(Cc4ccccc4)nc4ccc([N+](=O)[O-])cc4c3=O)cc2)c1 12834095 VTRDSXISXMFVQE-UHFFFAOYSA-N 477.520 5.619 5 40 JKBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])C1 13117984 URIBUXMQYPNKGP-KRWDZBQOSA-N 455.518 5.627 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(CCc3ccccc3)C(=O)N=C2O)[C@H]1CCC 16995289 DKWKOZZKOLAJTN-KCWPFWIISA-N 492.576 5.074 5 40 JKBB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224848037 DBIPONLFWWUTRW-HXUWFJFHSA-N 480.392 5.024 5 40 JKBB COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408558710 VHVJMACMFFZROI-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccccc3)cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409367719 FBOXZGJBEDTNLQ-OGKDHEGQSA-N 472.500 5.139 5 40 JKBB CCCCCN(CCCCC)[C@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729675 NOUFWEXHTCTUAU-HRFSGMKKSA-N 470.495 7.860 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccccc1[N+](=O)[O-] 2234634 CUGILIBABFQVTR-UHFFFAOYSA-N 454.236 5.123 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2303588 ARWHZKZCLPMWLV-UHFFFAOYSA-N 473.580 5.706 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2317952 QJECWFQLHJKWOT-UHFFFAOYSA-N 459.553 5.397 5 40 JKBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 8901825 JADVTEXLHPCFLJ-UHFFFAOYSA-N 499.354 5.116 5 40 JKBB CCCCCC(=O)Oc1cn(-c2cccc(C)c2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124308 FLMKZHCWGBLQBO-UHFFFAOYSA-N 482.628 7.353 5 40 JKBB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 12651628 PAQNEQBSBNJLAD-UHFFFAOYSA-N 472.501 5.524 5 40 JKBB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 14274565 SVWWYAJKTATGJN-WEVVVXLNSA-N 476.341 5.996 5 40 JKBB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 16688597 SKTZHPZNJZMAIH-FYJGNVAPSA-N 493.903 5.323 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1[N+](=O)[O-] 32127351 FBSDYUQFAVVKER-UHFFFAOYSA-N 471.347 5.037 5 40 JKBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 57317005 CRLLYMHPWMWWSW-UHFFFAOYSA-N 467.275 5.807 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Br 215095482 JNJOXQHXLWXHDX-YBFXNURJSA-N 485.315 5.854 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223877051 HNQVGNOZMFMGIX-DNQXCXABSA-N 488.525 5.141 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1 408567234 QKOYTRACNAYTSK-VIQOPKQKSA-N 498.366 5.141 5 40 JKBB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 408818872 YQJXNOGQHZJRKP-UHFFFAOYSA-N 491.332 5.933 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCc1ccccc1 409008456 YYWLEZVMNZUKPR-HAHDFKILSA-N 494.956 6.106 5 40 JKBB O=C(Nc1ccc2ccccc2c1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409024459 YOVCXFGEPXTDHZ-UHFFFAOYSA-N 495.538 7.883 5 40 JKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409177369 FOGILRHHWQKKEI-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(O)nc(SCc3ccccc3)nc2N1 2719546 CZZHHBSTNGKJOV-HXUWFJFHSA-N 492.557 5.166 5 40 JKBB CC[C@@H]1CCCCN1CCCNc1cc2oc3cccc(C)c3[nH]c2c2c(=O)c3ccccc3c(=O)c12 8744536 CIIZMYVFZUJLLF-HXUWFJFHSA-N 495.623 6.316 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)c4c(ccc5ccccc54)n3)cc2)cc1 8856249 FWFASGNYTAXMDL-UHFFFAOYSA-N 464.568 8.283 5 40 JKBB O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9141025 HXCGNQBDTNYVEH-FQEVSTJZSA-N 476.876 5.146 5 40 JKBB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 14277412 RAAXHOINOXJUJL-UHFFFAOYSA-N 480.735 5.777 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492283 LTFPLOWDHLXLEK-UHFFFAOYSA-N 454.485 5.315 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 22713241 VXXCSKNHUODZKV-NTUHNPAUSA-N 476.964 5.222 5 40 JKBB O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 32116854 BCHGSBUSFRHENH-NDENLUEZSA-N 465.943 5.170 5 40 JKBB COc1cccc2c1O[C@@]1(C)C[C@H]2N(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)N1c1cccc(C)c1 100034212 QIUMMFYERNCENT-RLWLMLJZSA-N 489.553 5.399 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2 100893543 FVSLAVOEKJYXJB-PZVJUEDKSA-N 498.930 5.548 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1Cl 214077529 DYLAWZRXNWYDQP-LPYMAVHISA-N 480.929 6.064 5 40 JKBB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224545631 GBVPRKCHWVJARF-DNQXCXABSA-N 472.526 5.436 5 40 JKBB CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl 408571178 OBGKYTWRKPLPLU-QGZVFWFLSA-N 487.796 6.045 5 40 JKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408607208 JWSUDNXCRUSMOE-UHFFFAOYSA-N 461.833 6.099 5 40 JKBB COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 408624293 VJZNZTAZARTUFB-UHFFFAOYSA-N 464.861 6.561 5 40 JKBB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1 408677666 DXWDLROCFFQEKG-DQEYMECFSA-N 481.508 5.360 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409175899 DIAJFFHWRWUYKA-UHFFFAOYSA-N 486.436 6.445 5 40 JKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833179 SEOSZECWGVSEOF-UHFFFAOYSA-N 473.769 5.282 5 40 JKBB O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)ccc1Br 13598501 NGWVKOBLCZMLQW-UHFFFAOYSA-N 454.711 6.735 5 40 JKBB O=[N+]([O-])c1ccc([C@H]2N(c3ccccc3)N=C(c3ccccc3)N2c2ccc(Cl)cc2)cc1 16478042 TWXFHGWLUBQADO-AREMUKBSSA-N 454.917 6.635 5 40 JKBB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccc2ccc3cccc4ccc1c2c34 16949678 MGHLOQFXADVOMU-DWNUCVIGSA-N 499.742 9.508 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1Cl 22567488 COIBEUMYICVARE-RMKNXTFCSA-N 459.886 5.482 5 40 JKBB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O 222988234 SDLSJBYQKQYGGO-UHFFFAOYSA-N 487.965 5.084 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 409179228 QMVJWKPRHODGFL-UHFFFAOYSA-N 494.459 5.545 5 40 JKBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 409180484 UFOKWZNDXIGMQB-XMMPIXPASA-N 466.877 5.134 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])cc1C 409201119 VKULEELOGDBYGH-QFEZKATASA-N 484.533 6.861 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c([N+](=O)[O-])c1 409208547 CGEGXIBNEJCSKI-RGVLZGJSSA-N 499.342 6.162 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(-c2nc(O)c3c4c(sc3n2)CCCC4)c1 409265724 OEZHARAXERZLHG-UHFFFAOYSA-N 487.459 6.662 5 40 JKBB O=[N+]([O-])c1c(O)nc(/C=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)nc1O 409338126 DNKYNKZNQUXAKG-CMDGGOBGSA-N 457.273 5.276 5 40 JKBB Cc1nn2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)cc(C(C)(C)C)nc2c1-c1ccccc1 2408769 MNFNBVHPAXFDEK-UHFFFAOYSA-N 475.574 5.641 5 40 JKBB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1[N+](=O)[O-] 9846206 MUYSSZGWIKFWHA-UHFFFAOYSA-N 472.284 6.361 5 40 JKBB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1 12745452 GSZUHPOLJZTPGE-VMPITWQZSA-N 456.936 6.169 5 40 JKBB C[C@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12908149 GPCCBBMZMYXYAT-ITRAFESCSA-N 465.462 5.690 5 40 JKBB C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13015562 CFVHHRFOOZYTGF-FFHGMXDLSA-N 485.027 5.121 5 40 JKBB COc1ccccc1-n1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21 13096956 GGIPUPOMWXLOCU-OAHLLOKOSA-N 480.521 5.051 5 40 JKBB CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509756 GPDOGMPGYGBCCN-UHFFFAOYSA-N 458.522 5.683 5 40 JKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1Cl 14278171 UWWJKXRNLMKUHC-UHFFFAOYSA-N 486.764 6.313 5 40 JKBB COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])cc(NC(C)=O)c1Sc1ccccc1[N+](=O)[O-] 16321143 CGCWGIPJMLFZAB-UHFFFAOYSA-N 499.526 5.550 5 40 JKBB C[C@@H](NC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2 16576089 JVBIOQGKSFOPJA-SIGOSDGXSA-N 465.506 5.630 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412164 AYBNIQRESIKWDP-BMRADRMJSA-N 460.486 5.996 5 40 JKBB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595861 JICNMMGQZCVWOM-UHFFFAOYSA-N 463.906 5.758 5 40 JKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 26894768 GVIPCXFIZWZVDK-AREMUKBSSA-N 481.939 7.161 5 40 JKBB Cc1ccc(Sc2nc(Nc3ccc([N+](=O)[O-])cc3)sc2Sc2ccc(C)cc2)cc1 38335870 IITMXILKCIMDQZ-UHFFFAOYSA-N 465.625 7.714 5 40 JKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 106723532 HUPLJCRGMNYAEV-NVNXTCNLSA-N 453.701 5.247 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 408566720 GACRZKBBRNLKFM-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408638695 CZBAXGFFFDJCKN-OAHLLOKOSA-N 481.892 5.041 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)cc1[N+](=O)[O-] 409151283 FXSOXGQAZKVNDC-RGVLZGJSSA-N 499.342 6.162 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409172962 JUKMAIUGTUAEKR-HHHXNRCGSA-N 494.503 5.937 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2261884 NFLVFICLFQCBMU-UHFFFAOYSA-N 489.579 5.156 5 40 JKBB C[C@H](OC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)C(=O)N1CCCc2ccccc21 3306223 HRQYCLMZMYDBLN-KRWDZBQOSA-N 462.527 5.271 5 40 JKBB COc1c2c(cc3c1[C@@H](CC(=O)CC1CCCCCCCCCCC1)[N+](C)(C)CC3)OCO2 8767320 BCVCEVKORSHMCN-XMMPIXPASA-N 458.663 6.368 5 40 JKBB biogenic O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8832074 FVVVOFBVLFNQDL-UHFFFAOYSA-N 460.298 6.537 5 40 JKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 8902986 KCEQVWOQJRWKNA-UHFFFAOYSA-N 486.528 5.615 5 40 JKBB O=c1oc2ccccc2cc1C1=Nc2ccccc2S[C@@H](c2c3ccccc3cc3ccccc23)C1 12360324 PHTMIOQKPAPPOD-SSEXGKCCSA-N 483.592 8.457 5 40 JKBB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 12538016 DSSUCLTXYNVDML-UHFFFAOYSA-N 492.388 6.006 5 40 JKBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 12653375 LKYIMDDKDKNHPT-KBPBESRZSA-N 465.333 5.424 5 40 JKBB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nc2c1 13946203 MZYGQOXVHHJAHU-UHFFFAOYSA-N 491.956 7.647 5 40 JKBB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274752 XOWQIPBTWQJIIY-UHFFFAOYSA-N 473.769 5.282 5 40 JKBB O=C(C1CCCCC1)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 15905908 QMJKVBHARGQLNF-MSKIIMLESA-N 488.544 6.206 5 40 JKBB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 20970183 KMWDXCOAKYKNGV-DEOSSOPVSA-N 453.502 5.435 5 40 JKBB O=[N+]([O-])c1ccc(N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@H]3[C@H]2c2ccc(Cl)cc2)cc1 51330308 VDZWVYFOJVXKQV-MXXWSYFGSA-N 478.379 7.703 5 40 JKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1cccc([N+](=O)[O-])c1 101019183 SLQVSVBNEVKVLP-NRFANRHFSA-N 472.892 5.148 5 40 JKBB O=C(O)c1cccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 408602601 ADAOAVJROWVORG-UHFFFAOYSA-N 457.280 5.247 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(F)c(Cl)c2)cc1 408609119 OCWQZITVVUNYHR-UHFFFAOYSA-N 465.706 6.341 5 40 JKBB Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)S3)cc1 409195205 NMTBRMGVCKKWKD-QHCPKHFHSA-N 457.515 5.173 5 40 JKBB CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409337874 YJWITSFXYXBODP-UHFFFAOYSA-N 488.620 6.488 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)o2)c([N+](=O)[O-])c1 409354596 AAHAWTNWZMQNSK-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC(F)(F)F)cc2)cc1 6143777 PDRUASLBXSXUCL-UHFFFAOYSA-N 451.364 5.443 5 40 JKBB O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccccc1[N+](=O)[O-] 9846212 AEQGFMKJELZHNW-UHFFFAOYSA-N 468.947 5.652 5 40 JKBB CCOc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1OC 13557463 RWRRDSTZKOLCEM-XMMPIXPASA-N 482.492 5.400 5 40 JKBB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C(=S)N2c1ccc(F)cc1 20156228 CQFHYPCQSQLNHE-RDPSFJRHSA-N 463.490 5.221 5 40 JKBB CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 20610281 BFTOROQZNFBAAZ-DTQAZKPQSA-N 495.495 5.639 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 20797357 FYGZNPJSOKWVKZ-HSZRJFAPSA-N 473.920 5.834 5 40 JKBB Cc1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 100237467 XJUPGOPQFSBWJU-BIQRORRISA-N 476.532 5.635 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 214039038 ZBYPXVDWXOJLSC-OEAKJJBVSA-N 476.510 5.419 5 40 JKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223833017 ZNXIFLSHPMDYAI-DQEYMECFSA-N 486.553 5.826 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)cc1 408571095 NMCAHYOGVPJKBU-XMMPIXPASA-N 495.004 6.227 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1[N+](=O)[O-] 408669568 WWMJHBRWMYKLGT-GERBCZOESA-N 496.560 5.316 5 40 JKBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])cc1 409184281 WQVIGYAVLQIYNY-UHFFFAOYSA-N 485.901 5.364 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccc(Cl)cc3)nc2N1 940777 GSAHIFGVHAVBKZ-JOCHJYFZSA-N 486.919 5.434 5 40 JKBB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2105955 OFFNGASDRBRMOD-BXKMTCNYSA-N 459.498 5.193 5 40 JKBB biogenic O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 3144400 DBHFIZZDBMTQDN-UHFFFAOYSA-N 496.479 5.598 5 40 JKBB CC1(C)CC(=O)c2c(oc3c2cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc23)C1 4130718 ORIMDQOLIGOUOE-UHFFFAOYSA-N 498.944 6.104 5 40 JKBB Cc1oc2cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 8809473 GQZKGYOUCNWEFN-JOCHJYFZSA-N 496.516 5.131 5 40 JKBB aggregator CCCCOCCCn1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 9243813 JVVXUIPVEPXTRC-UHFFFAOYSA-N 478.637 6.194 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(OCC)c([N+](=O)[O-])c4)cc3n2)cc1 12630507 RXCDIXINLNPJHL-UHFFFAOYSA-N 493.951 5.976 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccccc4Cl)o3)nc12 13643737 UDKVHEHKOVVLLV-UHFFFAOYSA-N 461.934 5.996 5 40 JKBB O=c1c2ccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)c3cccc(c32)c2nc3ccccc3n12 16478296 NTOGFCKPVHTJER-SSEXGKCCSA-N 490.566 6.948 5 40 JKBB O=C(OC1CCCCC1)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 20412133 YMRAYHIYAJIPAC-UHFFFAOYSA-N 458.923 6.205 5 40 JKBB Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cc2ccccc2o1 32111938 UQDIYDDOCCFOQY-UHFFFAOYSA-N 479.876 5.573 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 72229998 VYIZDDLGZKKIDW-XMMPIXPASA-N 465.937 5.573 5 40 JKBB O=C(Nc1ccccc1Sc1ccccc1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 100863147 SSICQKDGQZDKEN-RIZNVZOMSA-N 475.574 5.272 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224215517 ZVFUAJNQHHVJDY-RPWUZVMVSA-N 456.527 5.735 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 224380404 MMOKTWKZURPYQM-FTJBHMTQSA-N 484.581 6.550 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224953845 BQGFZUFSQDUMDO-UHFFFAOYSA-N 464.275 5.932 5 40 JKBB CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1 408695356 QCSWVGFHOIVITB-UHFFFAOYSA-N 463.881 5.147 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3Cl)c2ncn1Cc1ccccc1Cl 2255883 KXKSESYSQDGLPD-UHFFFAOYSA-N 486.362 5.698 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1snnc1-c1ccc(Cl)cc1Cl 3118897 MPMIUWIBVDQIGZ-UHFFFAOYSA-N 452.266 6.590 5 40 JKBB CCCCCCN(CCCCCC)[C@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 4428642 RVSFSXIOJOWXMC-KPURRNSFSA-N 498.549 8.640 5 40 JKBB Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 8722277 HWTHFLOXOYTTGL-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2c[nH]c3ccccc23)cc1 9127449 KJCNIYAAQOJHQD-NRFANRHFSA-N 462.937 5.357 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 12376063 FDFXAPVVZKWBLR-GDLZYMKVSA-N 473.532 6.818 5 40 JKBB Cc1cc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)ccc1Br 16282264 WESDRDDTRAWHQE-BJMVGYQFSA-N 478.302 6.126 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 16401801 MGGHYCRBZFXFBU-UHFFFAOYSA-N 490.785 5.791 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223873076 IMPISVXFLQKTPB-XZOQPEGZSA-N 458.499 5.133 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 224254744 FPBYXGRFAZPVDA-ZEQRLZLVSA-N 456.527 5.735 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1 224624001 JBAJRQOQGINFID-GOTSBHOMSA-N 458.499 5.133 5 40 JKBB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 225352928 KKWJOPIUFCYVDR-IZZNHLLZSA-N 499.596 5.745 5 40 JKBB CC[N+](CC)(Cc1ccccc1)C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 226069218 RBMBHVGHRLSEJY-MHZLTWQESA-N 470.718 6.214 5 40 JKBB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2ccccc21 409116667 LAVWLLQKTUPVJH-XKZIYDEJSA-N 462.933 6.370 5 40 JKBB CCOC(=O)c1[nH]c2ccc3c4ccccc4ccc3c2c1CCN1C(=O)c2ccccc2C1=O 1249305 WYPJWPDKECBPFW-UHFFFAOYSA-N 462.505 5.490 5 40 JKBB Cc1cc(C(=O)Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(Cl)c2)ccc1[N+](=O)[O-] 2079027 JKXHRHXEILXHJR-UHFFFAOYSA-N 470.821 5.212 5 40 JKBB Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)no1 2241336 YGGZQMWPTTUPSZ-NRFANRHFSA-N 477.303 6.299 5 40 JKBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 2272072 KTHZSOMEAANSQF-UHFFFAOYSA-N 458.520 6.643 5 40 JKBB Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1C(=O)c1ccc(Br)cc1 3216950 HMLWZEQUZAYDPE-UHFFFAOYSA-N 467.344 6.301 5 40 JKBB COc1cc(-c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3[nH]2)cc(OC)c1OC 9224091 FRZDLWOTFMYIPF-UHFFFAOYSA-N 471.473 5.221 5 40 JKBB COc1ccccc1-n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc2c1=O 9480193 XCVXBUDFHOZVAM-FMIVXFBMSA-N 478.302 5.235 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccs2)N1Cc1ccccc1 9907577 OENPERMUJDYSOE-RUZDIDTESA-N 455.539 6.018 5 40 JKBB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 10187687 VQLMUDRXKUQLCG-ZRDIBKRKSA-N 460.515 5.163 5 40 JKBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-c2nnc3n2CCCCC3)c1 12635535 FERVBPZUIZYXFT-UHFFFAOYSA-N 491.495 5.329 5 40 JKBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 16741866 SPTAWDNTEFYNHN-NRFANRHFSA-N 491.297 5.209 5 40 JKBB O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 138524274 HRRDTPYGCKINRA-VGNMNXCYSA-N 491.503 5.296 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 214170683 HVEJYIXRRRKGRP-VXLYETTFSA-N 475.309 6.398 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 224616934 CDDBMLILDHTNSJ-XZOQPEGZSA-N 458.499 5.133 5 40 JKBB Cc1cc([N+](=O)[O-])cc2nc(-c3cc(I)ccc3Br)oc12 226248720 OCBSHZZPBVHIJT-UHFFFAOYSA-N 459.037 5.079 5 40 JKBB CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 408555402 XGZRABOJWLNYNP-UHFFFAOYSA-N 483.904 5.574 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1C 408567212 GTWDPQMEMKTLMW-RUZDIDTESA-N 492.576 6.021 5 40 JKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2)cc1 408682136 IZFIPMDUVUZPGX-QFIPXVFZSA-N 488.359 5.454 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)c1C 409000868 NLVZDMWMDUAPHO-UHFFFAOYSA-N 466.449 5.531 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 409223802 IBUIRXHRJRDLFW-YDZHTSKRSA-N 490.943 6.461 5 40 JKBB CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 2211216 BRZCPSWHHBBJMM-IBGZPJMESA-N 496.932 5.154 5 40 JKBB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc3oc(=O)c(-c4ccc(Cl)cc4)c(C)c3cc12 2583396 ZPTSYUSDPZJZKP-UHFFFAOYSA-N 463.316 7.157 5 40 JKBB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)cc1C 8444371 IZFXPSZFQAUHOU-UHFFFAOYSA-N 466.541 5.389 5 40 JKBB Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2c1 16348643 NAVMODMJWWKRRX-UHFFFAOYSA-N 453.454 5.901 5 40 JKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 107652752 NVXKSHNAJMMBEQ-LBPRGKRZSA-N 480.377 5.296 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224313331 ZXIFVDIUMLWPBV-DQEYMECFSA-N 469.570 5.574 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1 224887213 NPBMPCFBKHGKTC-PKTZIBPZSA-N 492.944 5.786 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1C 408565723 CXELEHBALJNHRE-VWLOTQADSA-N 492.576 6.021 5 40 JKBB CCc1ccccc1N1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O 408756729 JDMOYJSJHKEAQQ-UHFFFAOYSA-N 471.900 6.508 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409150135 AKDYRPJBANRTJJ-CIAFOILYSA-N 477.498 5.147 5 40 JKBB COc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 409178909 KCBCJIVLHAMHMT-UHFFFAOYSA-N 498.491 6.005 5 40 JKBB C/C(=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)[N+](=O)[O-] 2755975 VBNSYWYKDJZXGQ-WTKPLQERSA-N 495.982 6.735 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 9064622 KIDJVLSXNYQLNG-UHFFFAOYSA-N 450.303 5.597 5 40 JKBB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9284598 YDRLNLPWNCJJLM-ZDUSSCGKSA-N 491.495 5.250 5 40 JKBB C[C@@H]1CCCC[C@H]1n1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccnc1 9493697 YLVJOPXAOQKRGZ-DNVCBOLYSA-N 477.550 5.342 5 40 JKBB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 9829760 KCBYJNUCWJMSDT-PKNBQFBNSA-N 460.515 5.163 5 40 JKBB C[C@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC1CCCC1 16043817 BOOCCHFFCFEPFR-ZDUSSCGKSA-N 482.480 5.369 5 40 JKBB C[C@H](S[C@@H]1N=NC(c2ccccc2[N+](=O)[O-])=N1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 16322384 WQBJTRFJCDYPBT-QPFGOUBPSA-N 472.741 5.811 5 40 JKBB O=[N+]([O-])c1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN21 19893511 YGRADYFXXMCYCL-IFMALSPDSA-N 484.737 6.253 5 40 JKBB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1 20140604 NMTAGAHGMSGFQF-UHFFFAOYSA-N 452.850 5.821 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 20353316 OEDOZVFHACPZGA-OAHLLOKOSA-N 488.569 6.352 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Br)c1 59463588 NJCJYZLXQWSVAL-UHFFFAOYSA-N 480.343 6.400 5 40 JKBB O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4cccc5ccccc45)cs3)CC2)c(Cl)c1 96191679 YUKUVPKUSQNHHQ-UHFFFAOYSA-N 450.951 5.852 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 105346137 QEKIEKMHKQUNFP-PAHOUZJPSA-N 499.592 5.030 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 106690983 DMMPEUVIUMVCIQ-XKZIYDEJSA-N 464.474 5.549 5 40 JKBB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408553569 ATHHNIQSUSCXLF-QHCPKHFHSA-N 470.934 5.614 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccccc1 409180027 URFWGWJHIUITEU-MHZLTWQESA-N 465.461 5.607 5 40 JKBB CCCCCCN(CCCCCC)[C@@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 8615119 ZFIWQAFBIFLDTN-QFIPXVFZSA-N 496.533 8.789 5 40 JKBB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833157 CUKSSJROJZTJLB-UHFFFAOYSA-N 487.541 5.130 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9127610 VTRYPVFNZMCXQB-INIZCTEOSA-N 487.541 5.242 5 40 JKBB C[C@H](OC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9245035 OHALFYKBEXUJOA-ZDUSSCGKSA-N 499.401 5.606 5 40 JKBB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1c2ccccc2cc2ccccc12 12565291 GXQPYZUGIPUDBP-PMERELPUSA-N 455.513 7.255 5 40 JKBB CCOc1cc(C(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cc(OCC)c1OCC 13037861 HAKWFPCEOPGCNI-UHFFFAOYSA-N 483.568 6.398 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 22572912 JYAJNZJELKFNAI-UHFFFAOYSA-N 463.925 5.885 5 40 JKBB Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1=O 101276080 NMWLUNVVMBLWEW-UHFFFAOYSA-N 460.877 5.022 5 40 JKBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1 408633593 OBDJFNKMFHYKJD-ODLFYWEKSA-N 498.904 5.520 5 40 JKBB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 408814878 SLYODPAWESYEGL-CLFKFXSOSA-N 488.589 6.909 5 40 JKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 409173475 IOIKTVKMJCSSCR-SRZZPIQSSA-N 495.488 5.286 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccccc1 409220365 XXERKXUPBVDALV-RGVLZGJSSA-N 468.874 5.427 5 40 JKBB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl 3264128 YTVYVPMFPYDVKG-UHFFFAOYSA-N 483.933 5.423 5 40 JKBB C[C@H]1CCCCN1CCCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 8914623 PVQJLDHFAFIYFX-SFHVURJKSA-N 467.569 5.617 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1C 9459298 MVBUOAUPIBJQST-UHFFFAOYSA-N 486.480 5.089 5 40 JKBB CCc1ccc2oc(=O)c3c(-c4ccc(OC)c(OC)c4)nc4c5ccccc5oc4c3c2c1 11865274 BOIBICJHQKZCBV-UHFFFAOYSA-N 451.478 6.487 5 40 JKBB biogenic O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1)Nc1ccccc1 44087613 STYKPKGYFLNHAE-UHFFFAOYSA-N 464.934 5.832 5 40 JKBB CCc1nnc2sc(-c3cccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nn12 57316989 QWSITVKOQFRUGW-UHFFFAOYSA-N 484.950 5.444 5 40 JKBB COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 59474823 ANBIZCXNPBLKRE-UHFFFAOYSA-N 494.554 5.196 5 40 JKBB O=[N+]([O-])c1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(C2SCCS2)c1 95676453 WMDCPCAFUYDYGA-UHFFFAOYSA-N 477.398 5.701 5 40 JKBB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4c5ccccc5cc5ccccc45)[C@H]3C2=O)cc1 102740842 JPCDTXWJEMQXSW-DYIKCSJPSA-N 484.555 6.353 5 40 JKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)c1 2253949 KPCDZEPAJWVYBT-UHFFFAOYSA-N 479.971 5.856 5 40 JKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 8898894 XQCQZHZAHRMYRO-UHFFFAOYSA-N 474.325 6.196 5 40 JKBB CC(C)C(=O)Oc1cn(-c2ccc3c(c2)OCO3)c2nc(C(C)C)n3c4ccccc4nc3c12 9243130 LHNBEVSGZJKDHN-UHFFFAOYSA-N 456.502 5.240 5 40 JKBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(F)(F)F)c2)cc1 9311871 YTUCSPSSQSVBEJ-UHFFFAOYSA-N 489.435 5.101 5 40 JKBB COc1ccc(OC)c(/C=C\c2cc(/C=C/c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 16926310 NCPLDOOQUOIPTK-CGXWXWIYSA-N 492.484 5.878 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 20353312 SJTDXABTSRJYIX-OAHLLOKOSA-N 488.569 6.352 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 20611844 IKJSYJXJVZTRMR-UHFFFAOYSA-N 462.289 5.251 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1 408557604 PGWQZLLBJVVTBP-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1 408569565 JNVPXKFDLBSOPO-XMMPIXPASA-N 494.548 5.413 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408923448 XYGXEQZFIQOIHB-KPKJPENVSA-N 491.447 5.066 5 40 JKBB Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O 408997439 ORJVMXYMZNCBNN-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409365367 ZVBMZFATXWSXGL-UHFFFAOYSA-N 492.026 5.332 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)nc2ccccc12 3245276 BXXJGBITZKKRAQ-MRXNPFEDSA-N 471.469 5.003 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)cc1 3285642 DDDBNWFDYWFONA-UHFFFAOYSA-N 461.934 6.270 5 40 JKBB Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 12342097 XTGBKTISOMDCMS-UHFFFAOYSA-N 469.284 5.220 5 40 JKBB CCOC(=O)c1c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)sc2c1CCCC2 19894080 BEUADDPJWWXBGV-UHFFFAOYSA-N 464.952 5.832 5 40 JKBB O=[N+]([O-])c1cccc(C2=CSC3=NC4=C(CCC/C4=C/c4ccccc4)[C@H](c4ccccc4)N23)c1 102429276 BCDNAOCWEMINJR-CSZIPAIMSA-N 477.589 7.575 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(F)cc1 408573061 SHKJJUBTLWHSKR-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 409226395 NOFCCRYZDYBKCP-JAIQZWGSSA-N 497.916 5.492 5 40 JKBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)Nc1cccc(C)c1)CC2 2980315 KLONZIIKKNBOLR-HSZRJFAPSA-N 477.517 5.131 5 40 JKBB CN(C)c1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(C(F)(F)F)c2)cc1[N+](=O)[O-] 6287672 YFZFINTWWAOFKN-UHFFFAOYSA-N 463.387 5.863 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474718 JJNQDZKAWCCYEK-UHFFFAOYSA-N 465.922 5.227 5 40 JKBB O=C(Cc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 9892480 WRRCVEFINBKBCB-UHFFFAOYSA-N 480.568 5.251 5 40 JKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ccccc3o2)c1O 10372883 WIOVTJDHBWRPSB-UHFFFAOYSA-N 457.486 5.868 5 40 JKBB Cc1ccc(C2=NN(C(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)[C@@H](c3ccco3)C2)cc1 12532832 POCUQAFHQHXBJI-LJQANCHMSA-N 478.555 5.576 5 40 JKBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1Cl 13856554 HHVBKGVYIZIMPF-UHFFFAOYSA-N 482.876 5.185 5 40 JKBB Cc1c(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C(C)(C)C)cc4)nc3c2)cccc1[N+](=O)[O-] 16250151 PKQAKXBTSVHVJU-UHFFFAOYSA-N 488.573 5.061 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCCc1ccccc1 409143667 DFNBXUUWGWRZNW-JJIBRWJFSA-N 474.538 5.843 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 409168237 LTJRMFMOGACDEW-NHDPSOOVSA-N 452.463 5.847 5 40 JKBB CCOc1cc(Br)c(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 1416683 NWCGPASKHRVKDV-GIJQJNRQSA-N 493.335 5.001 5 40 JKBB Cc1cc(Br)ccc1-n1c(-c2cccc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 1872493 PNYYYCWVUWLWLI-UHFFFAOYSA-N 460.291 5.615 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)C[C@H]1C 2273646 QJAONJBSDZDDAC-ZBLYBZFDSA-N 485.584 6.688 5 40 JKBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=S)Nc1ccccc1C)CC2 2718176 ICSNMNPWSLBDQF-HSZRJFAPSA-N 493.585 5.296 5 40 JKBB Cc1cccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1 6442588 YEMXEZDXTLEEOK-UHFFFAOYSA-N 488.573 5.135 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc(C)cc4)CCC[C@@H]3[C@H]2c2ccc(C)cc2)n1 8455381 JUQKZCJFATZVTA-MHAKDPNMSA-N 483.572 5.865 5 40 JKBB CC(C)(C)c1cc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc(C(C)(C)C)c1O 9329615 ICTUKKGOZNVDJA-AREMUKBSSA-N 471.601 7.251 5 40 JKBB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2c1 10187629 VQLCZIHAYXWFOP-MDWZMJQESA-N 460.515 5.245 5 40 JKBB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)c3ccccc3n2)c1 20247734 YDYPEEQIOQLKAV-UHFFFAOYSA-N 497.429 6.098 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2[N+](=O)[O-])cc1 22709046 RZJHNVLGFDMYQO-UHFFFAOYSA-N 473.312 5.925 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223918187 IBDVVYJPLGBIKJ-DQEYMECFSA-N 485.569 5.493 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1 408565437 BWIBGLKMMRGBNX-QHCPKHFHSA-N 482.512 5.543 5 40 JKBB COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC 408572134 QRLRIQWHWIXBMG-GOSISDBHSA-N 469.350 5.010 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 408572371 QYSDFXHQVGDYMS-DEOSSOPVSA-N 460.559 5.573 5 40 JKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(Br)cc1 408842011 HUQWDYFOTMINRA-NTUHNPAUSA-N 463.696 5.570 5 40 JKBB Cc1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4c5ccccc5C[C@H]34)cc2)cc1 408993057 BRXBQGUWHJCDAW-SHSRKSKBSA-N 462.549 6.953 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 409052047 FVLOWYIFKAAVLJ-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 409243260 RHNLCBLBEYVLIN-WOJGMQOQSA-N 480.820 5.046 5 40 JKBB O=C1c2c(cc(Oc3ccccc3)cc2[N+](=O)[O-])Oc2ccccc2N1CCc1ccccc1 1088450 JAIRWGJJRIQIBM-UHFFFAOYSA-N 452.466 6.382 5 40 JKBB O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 2117349 JRCAYJVPYCHFFL-IWIPYMOSSA-N 471.900 5.811 5 40 JKBB O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2sc3c(c12)CCCC3 2296636 IVUNLMKNXLSPBT-UHFFFAOYSA-N 472.320 5.461 5 40 JKBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)cc1OC 2315240 XEOPHUHVVYELDE-UHFFFAOYSA-N 497.599 5.368 5 40 JKBB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c([N+](=O)[O-])c1 8456174 ALXQWYGVKUDIKL-UHFFFAOYSA-N 462.303 6.133 5 40 JKBB Cc1ccc(-c2csc(N3CCN(c4ccc([N+](=O)[O-])c(NCCc5ccccc5)c4)CC3)n2)cc1 8815914 XONGFCRANUGADI-UHFFFAOYSA-N 499.640 6.008 5 40 JKBB O=[N+]([O-])c1ccc(N2CCC(c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CC2)cc1C(F)(F)F 8857439 CRJJLXMCHFKVKQ-UHFFFAOYSA-N 484.400 6.407 5 40 JKBB CCc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 10035083 JUGQNVIVEOJHHI-DTQAZKPQSA-N 479.492 6.877 5 40 JKBB COc1ccccc1-n1c(SCC(=O)c2ccc(OC(F)F)cc2)nc2cc([N+](=O)[O-])ccc21 12560927 IHVJRQTWNJLSSO-UHFFFAOYSA-N 485.468 5.519 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 13302039 NGMIYTJIITYBNT-OAQYLSRUSA-N 484.737 6.002 5 40 JKBB C[C@@H](Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Br)cc1 14185380 JCUAYKFREUQZNQ-CQSZACIVSA-N 484.306 5.016 5 40 JKBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 36619631 FZQSDUUYNATYJZ-VWLOTQADSA-N 482.496 5.220 5 40 JKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1 408556623 KTYCDMSTLMQKBW-UHFFFAOYSA-N 482.161 6.855 5 40 JKBB CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC 408566367 FLZHQZSUXRAFDW-FQEVSTJZSA-N 462.959 5.137 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12 408572340 QXRXPLYDZYUVPZ-NRFANRHFSA-N 496.317 5.826 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 408921999 NSCHDXSMVPLYIU-LICLKQGHSA-N 473.510 5.201 5 40 JKBB O=C(NCCSCc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408923427 XPPVUHVBPGJYHV-XQNSMLJCSA-N 452.963 5.838 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c(C)c1 409215789 FGMQSYFUIUZHGV-IDUWFGFVSA-N 480.329 5.193 5 40 JKBB CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)COc1cccc(Cl)c1 959155 QMABXFJNRXUTBP-UHFFFAOYSA-N 460.895 5.171 5 40 JKBB CCCCCCSc1nnc2c(n1)O[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)Nc1ccccc1-2 2073871 CARNTIKNBPASJA-OAQYLSRUSA-N 481.534 5.351 5 40 JKBB CC(C)(C)c1ccc(C(=O)Oc2ccc(Sc3ccccc3[N+](=O)[O-])c3ccccc23)cc1 3191346 UXDJXAMUFHVGCT-UHFFFAOYSA-N 457.551 7.416 5 40 JKBB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)o1 12747427 SUYPIMUIFARDID-UHFFFAOYSA-N 462.893 5.546 5 40 JKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14277872 KPIHVMMQJBMSRX-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 16035066 TWHRUEBSETZMFV-KIHHCIJBSA-N 475.342 5.345 5 40 JKBB CCCCCN(CCCCC)[C@@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 16943228 ORIJKPVNLCWKRL-FQEVSTJZSA-N 468.479 8.009 5 40 JKBB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33705378 ISEBAUKAEHAMEC-UHFFFAOYSA-N 484.600 5.066 5 40 JKBB O=C(O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)cc1 95472955 JFRJXUKWOPQYLG-UHFFFAOYSA-N 471.513 6.393 5 40 JKBB COc1ccc(Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 102095201 OEBSWBVUXVTJNZ-UHFFFAOYSA-N 487.812 5.069 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 408554378 DNDJOMULUWEJDC-UHFFFAOYSA-N 475.314 6.086 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccccc1 408569078 IRJRGZPLUYAFHK-QHCPKHFHSA-N 480.977 5.918 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccccc1 408571125 NRXBKDAWJZTFLN-QHCPKHFHSA-N 464.522 5.404 5 40 JKBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408729740 CHIMMXHLQDQWLU-UHFFFAOYSA-N 459.505 6.972 5 40 JKBB O=C(Nc1ccc2nc(SCc3cccc(F)c3)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408751126 WVVDFJUKRZBKMT-UHFFFAOYSA-N 483.502 5.586 5 40 JKBB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409116503 MCJLDQBJILXQCZ-UHFFFAOYSA-N 485.378 6.564 5 40 JKBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 409373831 ZIIDVDJLRLIAIK-ISQHLFTMSA-N 498.844 5.144 5 40 JKBB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 869793 HKWTVDALEWYTEK-UHFFFAOYSA-N 478.402 5.259 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2365272 SZFKJYQTAZXCGD-UHFFFAOYSA-N 473.580 5.706 5 40 JKBB O=C(OCCOc1ccccc1Cl)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3431238 PHGAYCWTPRBXLZ-UHFFFAOYSA-N 497.878 6.654 5 40 JKBB Cc1ccc(-c2nn(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1C 8817693 ZGSHMNLPCPPSBH-UHFFFAOYSA-N 454.530 5.568 5 40 JKBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8901242 KTUDXOKICIFTLY-UHFFFAOYSA-N 486.867 6.534 5 40 JKBB CCCc1sc(N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)nc1-c1ccccc1 9934322 MWEXWRYCAVXEQR-UHFFFAOYSA-N 463.607 5.572 5 40 JKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C 14274978 JJVUATGZFUGKNT-VMPITWQZSA-N 490.368 6.305 5 40 JKBB O=[N+]([O-])c1ccc(NCCCCCCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 102105258 ZWHWOPMUJCIDFV-UHFFFAOYSA-N 476.446 5.184 5 40 JKBB COc1cc(CNc2cccc(C(=O)O)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408613812 VUMKTLBNUOXGOG-UHFFFAOYSA-N 462.380 5.725 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 409182385 KVUDAIIQWPTYLN-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409206872 MSRYJTAOPZFKIT-BZZOAKBMSA-N 494.916 5.632 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2)=C(C)N1 1108120 CJWAZFJYGNNKTQ-UHFFFAOYSA-N 468.513 5.107 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C(F)(F)F)c1 2448938 JJVRKNNVIDSYDQ-UHFFFAOYSA-N 479.506 6.191 5 40 JKBB O=C(c1cccc([N+](=O)[O-])c1)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 10059813 AITJYLDKSMIINP-VXKWHMMOSA-N 459.893 5.221 5 40 JKBB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10338468 AOOGQKFXBAGHAB-UHFFFAOYSA-N 494.356 5.120 5 40 JKBB C[C@H](OC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 13131071 FJSSRNQXJVQSDB-INIZCTEOSA-N 463.515 5.158 5 40 JKBB Cc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 16293542 XGAPATJRIJZGSQ-WFYKWJGLSA-N 479.496 6.686 5 40 JKBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20410848 ASKZAROZFGNMBQ-UHFFFAOYSA-N 462.289 5.251 5 40 JKBB COc1ccc(CC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)c(OC)c1OC 21598446 JOKRGLHHYYVPAF-UHFFFAOYSA-N 455.514 5.156 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1 22709038 YWPRDWGSKUFZSU-UHFFFAOYSA-N 473.312 5.925 5 40 JKBB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 32222519 PJHWYRVXAIQPSA-UHFFFAOYSA-N 494.128 6.147 5 40 JKBB Cc1ccc(-c2nn3c4ccc(NC(=O)Cn5nc(C)cc5C)cc4nc3c3ccccc23)cc1 1239904 MULNHUKIKKROEH-UHFFFAOYSA-N 460.541 5.463 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2CCc1ccccc1 2313723 JDLCZMDZLOSQMO-UHFFFAOYSA-N 473.580 5.342 5 40 JKBB CCCCNc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1[N+](=O)[O-] 12560372 AHCFDNBPSVMGBX-UHFFFAOYSA-N 467.547 5.964 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nc2cc([N+](=O)[O-])ccc21 12566411 WNQOPAYZNWZBKT-UHFFFAOYSA-N 490.585 5.971 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1[N+](=O)[O-] 12634091 YVCHSSLGNJFROD-NTUHNPAUSA-N 471.922 5.009 5 40 JKBB CSc1nnc(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1C1CCCC1 39982746 RFHRZSPNTPHTGI-UHFFFAOYSA-N 465.579 5.299 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccs3)cc2)cc1 224760557 VSQBFGHTARQQHE-GOTSBHOMSA-N 490.635 6.380 5 40 JKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1 408751487 ZYHSAHZCVOITLW-UHFFFAOYSA-N 481.942 5.951 5 40 JKBB O=C(O)c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@@H]1Cc3ccccc3[C@H]21 409001653 PZUPIPOIQYRUCH-JCYYIGJDSA-N 492.531 6.343 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409180377 WRYMSZGEKKNSJJ-UHFFFAOYSA-N 478.460 5.342 5 40 JKBB O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409182286 KACCECPDOVSFQI-UHFFFAOYSA-N 473.506 5.238 5 40 JKBB CCOc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3cccc(OC)c3)s2)cc1 1786830 OZBWGMWMXSSRSH-UHFFFAOYSA-N 490.541 6.122 5 40 JKBB CCc1nc2c(c(=O)n1[C@@H](C)c1ccccc1)c1nc3ccccc3nc1n2Cc1ccc(F)cc1 2217992 XKRZCCHGNFZKPT-SFHVURJKSA-N 477.543 5.654 5 40 JKBB CCn1c2ccccc2c2cc(-n3c(-c4ccc([N+](=O)[O-])cc4)nc4nc5ccccc5nc43)ccc21 2247247 RCRLUTUIZLHXJK-UHFFFAOYSA-N 484.519 6.672 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2250069 YSADMOZOLOWXBD-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB O=C(c1ccccc1)N1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc([N+](=O)[O-])cc1 2271123 DRYVRSNCHGPEQV-MUUNZHRXSA-N 480.476 5.548 5 40 JKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2313252 FHNQGOKSOYXGTH-UHFFFAOYSA-N 488.389 5.860 5 40 JKBB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 6284330 BAVNGEWIIRKZLO-UHFFFAOYSA-N 456.502 5.818 5 40 JKBB Cc1ccc(Sc2ccc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2[N+](=O)[O-])cc1 8824857 OYSNNNHYQIBHMC-UHFFFAOYSA-N 492.469 5.370 5 40 JKBB CCCCC(=O)Oc1cn(Cc2ccc(OC)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9243018 JXNHFXHHHKMBPC-UHFFFAOYSA-N 484.600 6.332 5 40 JKBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 16741861 KHTSGINETDDZPI-OAQYLSRUSA-N 491.297 5.209 5 40 JKBB COc1ccc(-c2nn(Cc3ccc([N+](=O)[O-])cc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 22747487 WSGFDAYAYBLVKQ-UHFFFAOYSA-N 489.528 5.516 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1Cl 215149685 GDHODWMLWSPGBD-DJKKODMXSA-N 493.299 6.537 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(F)cc1 408575074 VYJPYSGNSMJMBW-HSZRJFAPSA-N 482.512 5.543 5 40 JKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 408834242 LFUAEDJTYVXRNQ-UHFFFAOYSA-N 459.571 6.540 5 40 JKBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409217374 PPZVKYZFGHOEJU-LPYMAVHISA-N 491.525 5.401 5 40 JKBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1OC 8767710 KOFZBBMMJRCZTQ-HOFKKMOUSA-N 473.529 5.978 5 40 JKBB COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)c(C)cc1[N+](=O)[O-] 9544895 IBXSDYQJZRAANO-DNVCBOLYSA-N 496.593 5.047 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 14272050 JIRKFFTYWNCWEH-CMDGGOBGSA-N 470.337 6.830 5 40 JKBB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 14272248 QEJVJTYSLXCSDY-UHFFFAOYSA-N 472.501 5.054 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(F)cc1 95471441 CDNAFZZMSFMIOK-QRVIBDJDSA-N 494.500 5.558 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408608922 MYGCCMUEPKVGEX-UHFFFAOYSA-N 469.925 5.585 5 40 JKBB O=C(Nc1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 409180395 WWSPLUQYYIFWLJ-UHFFFAOYSA-N 468.465 5.996 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CCc1ccccc1 409209755 HTUPXPFHMANWDC-XYGWBWBKSA-N 483.549 5.877 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409210495 JEZSVIOGGCKIID-CIAFOILYSA-N 466.902 6.068 5 40 JKBB CCCCCOC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 1875057 RHWAPNJPIRYOHW-UHFFFAOYSA-N 453.886 5.065 5 40 JKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)c(C)nc32)c1 2230993 CWPISFUDNGUSFS-IBGZPJMESA-N 459.553 5.818 5 40 JKBB C[C@@H](c1ccccc1)n1c(-c2ccc(C(C)(C)C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2330278 YCULRRMPKGELCR-IBGZPJMESA-N 463.581 5.822 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)sc2c1CCCC2 8753728 ZTYJIPKVEJOCAK-UHFFFAOYSA-N 470.503 5.233 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cc(Br)ccc1Cl 8831312 JVHBBWDXXXAQCE-UHFFFAOYSA-N 463.140 5.099 5 40 JKBB O=C(Nc1ccc2ccccc2c1)c1ccc(NCc2ccc(-n3cccn3)nc2)c([N+](=O)[O-])c1 9157334 BRMFXUJXTKXOEC-UHFFFAOYSA-N 464.485 5.193 5 40 JKBB O=[N+]([O-])c1cc(COc2ccc(Cl)cc2Cl)ccc1Sc1nc2ccccc2s1 12961440 DAUOATIHVIYJEG-UHFFFAOYSA-N 463.367 7.242 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223989994 GHVXCBOFWQEPBW-LOSJGSFVSA-N 499.552 5.385 5 40 JKBB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224313373 ZXIFVDIUMLWPBV-RPBOFIJWSA-N 469.570 5.574 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408816265 JFGSEPRTPGIXSW-YVLHZVERSA-N 493.335 5.001 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408835747 XYOXMHKPJSRTRV-UHFFFAOYSA-N 460.471 5.854 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917638 YXTQOTVUWJRJLP-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409009327 DGWPTFXEURSRRP-MQHRVFIMSA-N 451.298 5.452 5 40 JKBB CCOc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409109254 AMGCPOLKSNYPOJ-UHFFFAOYSA-N 487.350 5.956 5 40 JKBB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409349915 RZASXDMBPYGHIB-UCQKPKSFSA-N 476.510 5.456 5 40 JKBB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1799153 IGIDSTOPDBIMFT-YRNVUSSQSA-N 454.598 6.718 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1[N+](=O)[O-] 8974208 IWXBWJXDGISCRY-AWEZNQCLSA-N 450.516 5.728 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)cc2[N+](=O)[O-])CC1 9668094 CVZKIBXYTXRQNU-UHFFFAOYSA-N 464.547 5.397 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 12546714 RDPRAZAGLTXTJN-UHFFFAOYSA-N 475.898 6.179 5 40 JKBB CCCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1CC 12650648 OIECXZKDRAFBCY-AWEZNQCLSA-N 469.925 5.495 5 40 JKBB O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 12660115 ACIUHUPKUDRTNS-UHFFFAOYSA-N 493.825 5.806 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 16284454 PRILHVPWMPZUHG-UHFFFAOYSA-N 457.877 5.696 5 40 JKBB COc1ccc(/C=C2/CN(C)C[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 105972901 WGMNVNHAENLSHC-CDOZQSOASA-N 484.556 5.175 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 205679404 BTHQDQLRHYPORE-YBFXNURJSA-N 474.416 6.110 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl 214785209 SXXAZCDPCUPBQR-RGVLZGJSSA-N 488.352 5.988 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)c1 408572454 RFIKWMQFOJDMEN-XMMPIXPASA-N 495.004 6.227 5 40 JKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(F)cc3)cc2)cc1 408573037 SFUOQLMLOHJCKA-XMMPIXPASA-N 478.549 5.712 5 40 JKBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)c1 408672836 XKDFVPVZYZBEAC-UHFFFAOYSA-N 485.496 5.231 5 40 JKBB Cc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 408836643 TYAOTVHUIREPDL-UHFFFAOYSA-N 487.625 7.157 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1C 408995327 MHTLIOIDPMNSDH-UHFFFAOYSA-N 466.449 5.531 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCc2ccccc2)cc1 409178287 LVOYSNWEUCINNZ-UHFFFAOYSA-N 455.466 6.323 5 40 JKBB COc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 8836293 FDZVHCIKTCRGOO-UHFFFAOYSA-N 466.537 5.524 5 40 JKBB CCc1ccc(CNc2nc(NCc3ccc(CC)cc3)n(C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 9948622 LJIJHBMUTWRFTE-UHFFFAOYSA-N 484.560 5.224 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 10060333 VWNVFFXNPYVZBU-VXKWHMMOSA-N 459.893 5.221 5 40 JKBB O=C(/C=C/c1ccccc1)Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1 12844344 UTXLMOGCGRHKAZ-JLHYYAGUSA-N 454.482 6.664 5 40 JKBB COc1c(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc2ccccc2c1Br 14274835 LYQSLCDLQADLQG-UHFFFAOYSA-N 494.754 5.299 5 40 JKBB COc1cc2nc(SCc3ccccc3F)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 20216191 IMTZVIHTCUOYLL-UHFFFAOYSA-N 491.504 5.301 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 22716613 JXHGYIUZTMGFHD-UHFFFAOYSA-N 479.924 5.342 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 96319142 OFLHEZUQIPBSGR-UHFFFAOYSA-N 478.448 5.000 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 408561582 JZEUOOWBTNIOGZ-ATJXCDBQSA-N 450.347 5.755 5 40 JKBB COCCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409247270 LWTZYRAJVJNCPV-FRKPEAEDSA-N 457.291 5.234 5 40 JKBB O=C(Nc1ccc2ccccc2c1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409336343 NWNKBOQAXOAYJK-UHFFFAOYSA-N 451.489 6.285 5 40 JKBB Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 1357312 JTSHVAYJMXYCSX-GOSISDBHSA-N 493.633 5.021 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2249329 LPMXBMWQAIETBE-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(SC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 3240846 VCQKBHFMAHBXKO-UHFFFAOYSA-N 499.524 5.527 5 40 JKBB Cc1ccc(C(=O)Oc2cn(CC(C)C)c3nc(-c4ccc(C)cc4)n4c5ccccc5nc4c23)cc1 8871198 XQGAEFGXZMLRCF-UHFFFAOYSA-N 488.591 6.996 5 40 JKBB CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 9128873 WXQLHVWUHGBVLU-FQEVSTJZSA-N 475.497 5.042 5 40 JKBB CC1(C)C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@](C)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 12500011 DDZCMMMLWZRBQM-KOSHJBKYSA-N 498.540 5.031 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 13400365 JNEXBKTYDBBSLP-UHFFFAOYSA-N 480.571 5.011 5 40 JKBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14274388 YITLJXNVFMSBMA-UHFFFAOYSA-N 486.903 5.384 5 40 JKBB COc1cc(C(=O)Nc2ccccc2C(=O)NC(C)C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 69599400 MUGMMWNEGLODKC-UHFFFAOYSA-N 483.908 5.440 5 40 JKBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nc(-c3ccccc3)cc2N1 72332711 YYYDZZWISNZRCY-VWLOTQADSA-N 485.931 6.039 5 40 JKBB CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1[N+](=O)[O-] 102074708 FGKMGHOJHWPQOV-LMNXFLSBSA-N 452.576 5.492 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 408574497 UYWNDFRIMZTASY-HXUWFJFHSA-N 471.340 6.471 5 40 JKBB Cc1cc(C)c(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 408749871 JSEWDGDRNWMSOA-UHFFFAOYSA-N 489.578 6.223 5 40 JKBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 409178377 LRWOJPLGZYUVBS-UHFFFAOYSA-N 459.483 5.328 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1Cl 409181011 XYDGPRAJCXSHPA-ZVHZXABRSA-N 486.980 6.630 5 40 JKBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)c1 2247488 SBROKEDXRARSSM-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB COc1cc(OC)c(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1Cl 8836490 SASGETOFCYZAFH-UHFFFAOYSA-N 461.865 5.215 5 40 JKBB CCCCCC(=O)Oc1cn(-c2ccc(C)c(C)c2)c2nc(CCCCC)n3c4ccccc4nc3c12 9243121 JQVOLFLSDRXZCZ-UHFFFAOYSA-N 496.655 7.662 5 40 JKBB COc1cc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc(OC)c1OC 10120217 RPQGFOJMVMVZPC-UHFFFAOYSA-N 483.864 5.335 5 40 JKBB CCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1CC 12650651 OIECXZKDRAFBCY-CQSZACIVSA-N 469.925 5.495 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 14275894 QOBYPMNKRCLDON-UHFFFAOYSA-N 496.552 5.226 5 40 JKBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3ccccc3c2=O)cc1OC 101333200 PDQGDENRSPNONW-UHFFFAOYSA-N 462.483 5.106 5 40 JKBB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 224760461 FFSJDUMJACTHHH-BJKOFHAPSA-N 488.594 6.220 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)c1 408565238 BKSRCURFGSTAMN-XMMPIXPASA-N 460.559 5.573 5 40 JKBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccc2)CC1 408975895 OVUUIELFAUSVHC-UHFFFAOYSA-N 485.551 5.234 5 40 JKBB COc1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1 408991147 MZFKQVKMNGTEHH-UHFFFAOYSA-N 473.872 5.954 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1 408994342 YQCZNIPNGUYUQB-UHFFFAOYSA-N 491.569 6.219 5 40 JKBB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409113291 AFIGZURLGXPLMK-UHFFFAOYSA-N 457.324 5.865 5 40 JKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)cc1Cl 2343388 YKBGHXVLLDFWTL-UHFFFAOYSA-N 459.937 5.451 5 40 JKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 6150882 GSDMVIFHDMALOE-UHFFFAOYSA-N 492.410 6.658 5 40 JKBB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)oc2c1 8899242 IUXRYTYDBHHQOP-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB CCc1ccc(CNc2nc(NCc3ccc(CC)cc3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1 9948624 DHKKOTOAQAJOGM-UHFFFAOYSA-N 484.560 5.224 5 40 JKBB Cc1ccc(Sc2ccc(/C=C3\CCn4c3nc3cc(C(=O)O)ccc3c4=O)cc2[N+](=O)[O-])cc1 12529258 YRHQVXCHJIECCK-SFQUDFHCSA-N 485.521 5.407 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 12616466 PNLODVCYNCPKFH-HSZRJFAPSA-N 496.922 6.122 5 40 JKBB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 14271127 GEPPCCFLWPCUHU-UHFFFAOYSA-N 452.536 5.136 5 40 JKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 14272368 SYXYCVBKTHVMRB-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 20435719 BDZHKQLALQRQGH-UHFFFAOYSA-N 467.488 5.089 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1cccs1 22107537 GELSQJURBCAYLU-UHFFFAOYSA-N 482.389 5.752 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 214370487 HCGGWHUQQWUQIY-YDZHTSKRSA-N 494.500 5.558 5 40 JKBB COc1ccc(OC)c2nc3c(cc12)CCc1c-3n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 1385148 LFZVYJJSVLALNN-UHFFFAOYSA-N 465.509 5.929 5 40 JKBB O=C(Nc1cc(Cl)ccc1Cl)c1sc(Nc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2087811 GRQTWPHNNKOQLK-UHFFFAOYSA-N 485.352 7.021 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N(C(=O)c1ccccc1[N+](=O)[O-])c1cc(C(F)(F)F)ccc1Cl 2729815 BYDPYBOVGACQOU-UHFFFAOYSA-N 493.781 5.662 5 40 JKBB Cc1cccc(N(C(=O)COc2ccccc2C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3336812 GPJHYRORCLVMKD-UHFFFAOYSA-N 459.527 6.079 5 40 JKBB CCOc1ccccc1/C=C\c1cc(/C=C\c2ccccc2OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] 5080554 LCGDFKVPGMGRPZ-VMNXYWKNSA-N 460.486 6.641 5 40 JKBB CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509747 AHWFDAHZZGDFFK-UHFFFAOYSA-N 477.952 5.945 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4cccc(C(F)(F)F)c4)o3)nc12 13644188 KCOJECGZEZSOPG-UHFFFAOYSA-N 495.486 6.362 5 40 JKBB COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2[C@@H]2CCCC[C@H]2C)cc1 16044624 KCWISLVOINIEGB-IIBYNOLFSA-N 466.563 5.588 5 40 JKBB O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Br)cc3)=NN12 19893509 YGRADYFXXMCYCL-IRLDBZIGSA-N 484.737 6.253 5 40 JKBB CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(Cl)c1 20459527 QXPQSZWYMPZXJY-XSFVSMFZSA-N 450.878 5.604 5 40 JKBB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 22572937 JJTDSBBEYXYBHQ-UHFFFAOYSA-N 463.925 5.885 5 40 JKBB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 24771678 LIEUSZGAMFPWDU-IFXJQAMLSA-N 467.909 5.489 5 40 JKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Br 72229225 FUCUDLROURCKTQ-UHFFFAOYSA-N 452.736 6.008 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)c([N+](=O)[O-])cc1OCc1ccccc1 408986730 DFWJFLRGTHDFSH-UHFFFAOYSA-N 491.569 6.219 5 40 JKBB CCc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409139478 BASWFBWIGBIAKS-GDLZYMKVSA-N 477.564 6.519 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)o2)c([N+](=O)[O-])c1 409216501 IOJAIWFKNPVHBL-CIAFOILYSA-N 477.498 5.147 5 40 JKBB O=C(CN(C(=O)c1ccccc1Cl)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 853516 MWXFTOXDRVAKHI-UHFFFAOYSA-N 450.322 5.315 5 40 JKBB CC(C)Cc1nc2sc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc3c2c2c1COC(C)(C)C2 1898578 FDYWZZOQNPJXHH-UHFFFAOYSA-N 494.642 6.490 5 40 JKBB C[C@H](Sc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6177161 LCMQKVDAAHSPKE-AWEZNQCLSA-N 480.937 5.010 5 40 JKBB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-] 8831280 HIQSRYMVRZCQAI-UHFFFAOYSA-N 466.302 5.297 5 40 JKBB Cc1cccc2oc3cc(NCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9375475 IQCOMGYCKAIWGZ-QGZVFWFLSA-N 467.569 5.393 5 40 JKBB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 12193915 WTVJLSVGIAMVHZ-FYYLOGMGSA-N 454.313 6.452 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 16611075 PXSQVAFRSPWXDN-OAHLLOKOSA-N 488.569 6.352 5 40 JKBB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1OC 16694771 MLRXRANKNDIEAB-BUHFOSPRSA-N 484.512 5.257 5 40 JKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224440143 GZGWJCKGVSJHEW-FQEVSTJZSA-N 498.432 5.078 5 40 JKBB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 408695090 OSDLPHBPNBBDJX-UHFFFAOYSA-N 468.300 5.710 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4[C@H]5CC[C@@H](C5)[C@@H]43)cc2)cc1 409336293 NFVZXUXTZIWJSO-POPDLAIHSA-N 471.513 6.379 5 40 JKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)c1 2254427 WSEIDAHUAHHDRP-UHFFFAOYSA-N 465.944 5.548 5 40 JKBB Cc1ccc(-n2c(Sc3ccccc3[N+](=O)[O-])nnc2Sc2ccccc2[N+](=O)[O-])cc1 3123918 ADABLVRETTYYDG-UHFFFAOYSA-N 465.516 5.695 5 40 JKBB O=C1S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1c1ccccc1 8398640 ZQNMEXHMXDVBOH-NDENLUEZSA-N 463.427 5.536 5 40 JKBB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8835412 KZBLYQVNAWPWKG-UHFFFAOYSA-N 496.401 5.238 5 40 JKBB CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1cc(Br)cc(Br)c1O2 9144827 ZKNOJBSTPCTHGJ-LJQANCHMSA-N 480.156 5.649 5 40 JKBB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 19928345 CSJWGGSXTLQXGT-UHFFFAOYSA-N 483.333 5.211 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4cc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1 57315789 YRGNSSOBXTYKRD-UHFFFAOYSA-N 498.539 6.082 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 105346129 QEKIEKMHKQUNFP-MEWSVHOLSA-N 499.592 5.030 5 40 JKBB C[C@H]1[C@H](C)CCC[C@H]1n1c(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 195529329 MFWWICBCDMOQEH-MPWIWIEXSA-N 480.590 5.421 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)c1 408565244 BLDDTZGMCXUHHH-XMMPIXPASA-N 495.004 6.227 5 40 JKBB Cc1ccc(-c2cnc(NC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 409182916 QBJQXCAPRZOQBH-UHFFFAOYSA-N 479.539 5.112 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409360244 ZIEHSBLCEDYSNB-UNOMPAQXSA-N 466.496 5.258 5 40 JKBB CC(=O)c1ccc(Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c([N+](=O)[O-])c1 1394186 DFCFBUBFFGUNBV-UHFFFAOYSA-N 450.800 6.248 5 40 JKBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 2956086 UWXSPNVIKPPKHT-UHFFFAOYSA-N 458.455 5.756 5 40 JKBB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 3349979 AISJPKWTEVXKLM-CQSZACIVSA-N 465.893 5.560 5 40 JKBB O=C(Nc1ccc(Br)cc1)c1ccc(OC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 8856259 HWNDDUKAFWOGQS-UHFFFAOYSA-N 472.320 5.385 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8899960 SYNDBTCQMBQNFQ-UHFFFAOYSA-N 475.460 7.069 5 40 JKBB O=C1c2ccccc2-c2nn(C(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)c3cccc1c23 12498989 PIXPDPVTTCXRFY-UHFFFAOYSA-N 466.497 5.225 5 40 JKBB CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509760 RBTCTHKDJLYMDT-UHFFFAOYSA-N 492.967 6.336 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)c3)nc2c1 13608724 NENUQEKLLBPUHM-UHFFFAOYSA-N 484.556 6.508 5 40 JKBB Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1[N+](=O)[O-] 20407192 HLZFSWKSJVCPNC-UHFFFAOYSA-N 466.324 6.986 5 40 JKBB COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1 21579303 ZQPLKZPSQVYITF-SDNWHVSQSA-N 481.464 6.324 5 40 JKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 36408649 HXLDLGPOKADBKW-DXEWXGHRSA-N 466.793 5.890 5 40 JKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccc([N+](=O)[O-])cc1 101019034 RQQPPKAJDTYZLG-NRFANRHFSA-N 472.892 5.148 5 40 JKBB O=[N+]([O-])c1cccc(CSc2nc3n(n2)[C@@H](c2cc(F)cc(F)c2)C2=C(O)CCCC2=N3)c1 102701410 QXMJJZMTQAOYQJ-FQEVSTJZSA-N 469.473 5.428 5 40 JKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 888263 VUMPXLIJTPMINZ-UHFFFAOYSA-N 473.558 5.114 5 40 JKBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)ccc12 2093877 LKSPQLCXKHNFNY-DEOSSOPVSA-N 489.524 5.120 5 40 JKBB biogenic CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 2202344 GFGBGRBYGPTNGI-QFIPXVFZSA-N 483.505 5.623 5 40 JKBB CCCCOc1ccc(-n2cc(OC(=O)C(C)C)c3c2nc(C(C)C)n2c4ccccc4nc32)cc1 8871245 RICGBQSMDCVNPA-UHFFFAOYSA-N 484.600 6.690 5 40 JKBB COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 9034184 VSBLGSOQGRXXQX-AREMUKBSSA-N 490.452 7.065 5 40 JKBB COc1ccccc1NC(=O)[C@@H](C)Sc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 9467790 YKZAIEMCGUYDQR-OAHLLOKOSA-N 478.530 5.070 5 40 JKBB CC(=O)N(c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1)c1ccc(F)cc1F 12801411 IPZKDOSIOZDWGJ-XVNBXDOJSA-N 458.471 5.794 5 40 JKBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C(C)C)cc2)cc1 14411428 XPBDUABSOJSDGF-UHFFFAOYSA-N 481.574 5.169 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20100709 POCCDPKPRWPYMT-UHFFFAOYSA-N 478.508 6.409 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCOCC2)c(Br)c1 20611601 JYKWZOJMPIDHEV-JXMROGBWSA-N 498.333 5.106 5 40 JKBB Cc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c([N+](=O)[O-])c1 24522183 CULLILOECVSYHZ-UHFFFAOYSA-N 464.433 6.474 5 40 JKBB O=[N+]([O-])c1ccc(/C=C\c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 68563476 CDSARYSJQNNQEW-CGXWXWIYSA-N 462.374 5.660 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2c(O)cccc2[N+](=O)[O-])cc1/C=C\c1c(O)cccc1[N+](=O)[O-] 104108623 DOJDRQJGHAJDSO-FKJILZIQSA-N 494.372 5.071 5 40 JKBB O=C(O)c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 408960900 POEWZZZUEBTUPV-XKZIYDEJSA-N 490.493 5.109 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CNc2ccc(Br)cc2)cc1 409198911 GERYWTYZCKGOGH-UHFFFAOYSA-N 463.331 6.702 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccccc1 409226720 RVRXVNVMFCTRIL-RGVLZGJSSA-N 468.874 5.427 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1 409366729 VJONHVJHNOUNNX-CIAFOILYSA-N 481.917 5.017 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)Nc1cccc([N+](=O)[O-])c1 2187070 XINLAKBIPUKJQT-UHFFFAOYSA-N 498.973 5.841 5 40 JKBB Cc1cccc(N2CCN([C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)CC2)c1C 12546847 KBVCSZKEQVIHIB-VWLOTQADSA-N 478.980 5.367 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)nc(/C=C/c1ccc(-c3cccc(Cl)c3Cl)o1)n2-c1ccccc1 12632326 CLJAFQYRFMBPEQ-SDNWHVSQSA-N 476.319 7.671 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 14278259 WNXUNORMYKAPSV-UHFFFAOYSA-N 478.291 7.115 5 40 JKBB CCOC(=O)C1=C(C)N(c2ccc(CC)cc2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 16161640 IUUMXFNIWSUWCW-UHFFFAOYSA-N 478.545 5.435 5 40 JKBB COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1[N+](=O)[O-] 16284426 YXPVNFHCIMRCFC-UHFFFAOYSA-N 453.458 5.051 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 26780015 MLSKOXSFNSPXLB-UHFFFAOYSA-N 481.317 5.346 5 40 JKBB C[N+]1=C([C-](Sc2ccccc2[N+](=O)[O-])Sc2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21 54172959 UELKLZWEOQFUCI-UHFFFAOYSA-N 479.583 6.583 5 40 JKBB CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)c(Cl)c1 408561547 JKZAYZDEDAEUIS-ATJXCDBQSA-N 450.347 5.755 5 40 JKBB COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 408565097 BEFUNBRXZJKWJY-QGZVFWFLSA-N 483.775 5.110 5 40 JKBB O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)NC(=S)N1C1CCCCC1 409084412 VIENUWQMGLGCCE-MOSHPQCFSA-N 471.966 5.218 5 40 JKBB Cc1cccc(OCc2nn(CC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(=S)o2)c1 409163494 SJGRSTFWCPAICB-UHFFFAOYSA-N 497.558 5.072 5 40 JKBB COc1cccc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)c1OCc1cccc(Cl)c1 2155914 CGLBPTOMVAKBEJ-UHFFFAOYSA-N 469.924 6.994 5 40 JKBB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SCc2cccc([N+](=O)[O-])c2)c(C)c1 3260242 IOIKUINPGWQPPA-UHFFFAOYSA-N 480.593 6.829 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769570 YLOWEHLALQOGJY-LPYMAVHISA-N 464.474 5.549 5 40 JKBB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 6195963 TZVSCTNFOPELPS-UHFFFAOYSA-N 459.531 5.190 5 40 JKBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3cc(Cl)ccc3Cl)n2Cc2ccccc2)cc1 8456173 IQTDOXLJXHLJSE-LVWGJNHUSA-N 456.354 6.712 5 40 JKBB CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1 8903000 ONAVVOPRRXGJCB-DTQAZKPQSA-N 493.519 7.438 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20611846 IFNVOZKYDRJEFC-UHFFFAOYSA-N 462.289 5.251 5 40 JKBB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](n1c(S[C@@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)nc3ccc([N+](=O)[O-])cc31)C2=O 253591132 OIQAHDMGJUIHAG-KETNXZQASA-N 495.645 5.997 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)c1 408573114 SNCOUOVKKJHQRI-XMMPIXPASA-N 478.549 5.712 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 409178449 JRLSAEPOZSPIIR-UHFFFAOYSA-N 494.459 5.545 5 40 JKBB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2268106 KFBXEYUPJHUQSW-FOIQADDNSA-N 477.973 7.055 5 40 JKBB COCCOC(=O)c1c(C)n(CCNc2ccc([N+](=O)[O-])cc2Cl)c2c1cc(O)c1ccccc12 8783628 BXVBOZPSQUYZTG-UHFFFAOYSA-N 497.935 5.285 5 40 JKBB biogenic,in-vitro O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1cccc(Br)c1 9414208 KXARZPCPRYHZJD-UHFFFAOYSA-N 480.274 5.608 5 40 JKBB Cc1csc(Sc2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2[N+](=O)[O-])n1 9508369 ZZQSWCPGJSTIPE-OAHLLOKOSA-N 465.560 5.188 5 40 JKBB O=[N+]([O-])c1ccc(Oc2cccc3c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cccc23)c([N+](=O)[O-])c1 100170986 SOWLXZPSWYDXFJ-UHFFFAOYSA-N 492.356 6.057 5 40 JKBB O=C1S/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccccc1 408807671 DHRUWOZSMSXARO-UCQKPKSFSA-N 455.495 5.839 5 40 JKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1cccc(Cl)c1 409212190 NUJXXTYAHKMUFQ-VCHYOVAHSA-N 453.863 5.676 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8831789 IXUGVTKDJOJRGU-PKNBQFBNSA-N 472.328 5.524 5 40 JKBB Cc1ccc(NC(=O)Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(C)c1 9265159 LIBXTFYXFGGXBD-UHFFFAOYSA-N 473.558 5.266 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CCCCC1 9464033 LIRFSWHTUCSZDT-HNNXBMFYSA-N 499.568 5.626 5 40 JKBB Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2cccc(C(F)(F)F)c2)c2ccccc2)c([N+](=O)[O-])c1 12616869 VLNMSDAZRAEXQZ-BWSGXRDBSA-N 484.430 5.858 5 40 JKBB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 22760915 QAJLPLZCFFQWCV-UHFFFAOYSA-N 469.284 5.220 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215027056 WJYBFJFMIZUXBK-VCHYOVAHSA-N 475.309 6.398 5 40 JKBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223818946 LGTYZHHCCAZMAZ-FQEVSTJZSA-N 480.392 5.168 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 224029050 VJGFKFHTMVGEMB-DNQXCXABSA-N 486.509 5.156 5 40 JKBB Cc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2CCc1ccccc1 2248805 MZIDKZUEMFHJID-UHFFFAOYSA-N 459.553 5.088 5 40 JKBB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 9504324 FEPSPVVJSDPNPG-UHFFFAOYSA-N 472.545 5.644 5 40 JKBB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 10060379 RKYVVSWTFBZVLV-XZOQPEGZSA-N 489.919 5.230 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409182361 KIPGZCAUMWBSDL-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 3764381 LRCJUPYCXIMWTE-RGVLZGJSSA-N 481.442 5.008 5 40 JKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 6150819 UZLPPPURSGQQTI-UHFFFAOYSA-N 475.980 5.554 5 40 JKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 14272123 YYHICDIHFLNQTE-UHFFFAOYSA-N 462.676 6.616 5 40 JKBB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] 32125134 JEUAGCMVNSWWCS-OAHLLOKOSA-N 493.947 7.221 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)cc1[N+](=O)[O-] 215154982 SJKTWXNEHOSJRD-KEBDBYFISA-N 472.881 6.192 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1 408574405 USUUQKHGAAJMGQ-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB CCOC(=O)C1=C(C)N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@H]1c1cccc(Br)c1 408993274 WAAARRPYOQUKOD-IBGZPJMESA-N 490.379 5.128 5 40 JKBB O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O 408996206 LKXUZWXLLGOASC-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 409184714 ZVONYHKHJCKQNI-UHFFFAOYSA-N 478.460 5.342 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 409191771 MWTQFUQCCTUBHP-WBDHZMATSA-N 474.856 5.212 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1cccc(Cl)c1 409210831 MRMIDKMVUPWIMR-WCSRMQSCSA-N 486.720 5.230 5 40 JKBB Cc1ccc(-n2cc(OC(=O)CC(C)C)c3c2nc(CC(C)C)n2c4ccccc4nc32)cc1C 2235757 DVTVHETVDIUMIB-UHFFFAOYSA-N 468.601 6.593 5 40 JKBB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2623324 MMWLSKOZDOMAND-ZDUSSCGKSA-N 498.923 5.206 5 40 JKBB N=c1oc2cc3c4c(cccc4c2cc1-c1nc2ccccc2[nH]1)C(=O)N(c1ccccc1)C3=O 3115900 FKLJUVOUUMGIJY-UHFFFAOYSA-N 456.461 5.409 5 40 JKBB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060377 SIRVFMMLQMZYMZ-GOTSBHOMSA-N 489.919 5.230 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 16480532 QYJDTWCQMIPEKS-UHFFFAOYSA-N 490.785 5.791 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 21120421 NTWLUFMKFIODFR-LBPRGKRZSA-N 484.534 5.534 5 40 JKBB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1[N+](=O)[O-] 35131983 HFXARVSTCOXOBQ-UHFFFAOYSA-N 479.901 5.148 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 102828796 MAIAMEYAADCASK-MXVWBRBISA-N 499.483 6.212 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1 214893532 VHTVCAKSKQFMIT-RGVLZGJSSA-N 481.442 5.008 5 40 JKBB CCc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1 409015773 FOCNBUUMUQJZSP-UHFFFAOYSA-N 473.532 7.292 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1cccc(Cl)c1 409216346 KBARHGLMUZGSGR-CIAFOILYSA-N 466.902 6.068 5 40 JKBB Cc1cccc(CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)C2=O)c1 409232124 ODGWRPFYDPEFNR-WGOQTCKBSA-N 493.519 5.728 5 40 JKBB COc1ccc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 409358457 UKXRPWVLRCHUGN-ODLFYWEKSA-N 456.863 5.758 5 40 JKBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 2302016 UCNLBNQYTFAOSD-UHFFFAOYSA-N 491.551 5.285 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc(F)c(Cl)c2)c2nc(CCCC)n3c4ccccc4nc3c12 9243197 VDNKKWVQRXSKKR-UHFFFAOYSA-N 492.982 7.057 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CCN(c2ccccc2)CC1 13147615 KNUMJYNYBSEMAO-UHFFFAOYSA-N 484.600 5.016 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4N(CC[N+](C)(C)C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 17002642 VUNLYSHYFRFNNU-ADIJHLQMSA-N 471.794 7.130 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cc(-c4cnn(C)c4C)nc4ccccc34)nc12 22712768 AFSXQBFWVZHAFT-UHFFFAOYSA-N 476.569 5.428 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1)Nc1ccccc1 44087350 TYYAXEHIHNAIGY-UHFFFAOYSA-N 464.934 5.832 5 40 JKBB CC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12CCCC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12C 68568393 JUZKFQCYFDYRMJ-UHFFFAOYSA-N 476.663 8.999 5 40 JKBB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 224589001 IRWYYUFEHGJYJV-DNQXCXABSA-N 472.526 5.436 5 40 JKBB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408611537 SXUYWRAOJISPFQ-UHFFFAOYSA-N 484.833 7.209 5 40 JKBB O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 408613135 XQOSXNHOTVJFQK-UHFFFAOYSA-N 453.325 7.246 5 40 JKBB COc1cc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl 1397969 ZMFKJZRARDDJNT-UHFFFAOYSA-N 457.266 6.155 5 40 JKBB Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nc3sc4c(c3c2=O)CCCC4)cc1Cl 3260220 HLVJCXKNARNJLI-UHFFFAOYSA-N 498.029 6.488 5 40 JKBB Cc1ccc(C)c(-n2c(SCc3cccc([N+](=O)[O-])c3)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1 3268470 AIJNVDNAALGHPT-INIZCTEOSA-N 491.638 6.389 5 40 JKBB CCOc1ccc([C@H](C)NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1OCC 3433486 ZBQUUVLPUOMMKP-INIZCTEOSA-N 484.549 6.174 5 40 JKBB COc1ccc(OC)c(/C=C\c2cc(/C=C\c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 5080556 NCPLDOOQUOIPTK-SFECMWDFSA-N 492.484 5.878 5 40 JKBB CCc1ccc(OCc2ccc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)cc2)cc1 13643746 DIAVDCGYVCWWSH-UHFFFAOYSA-N 465.582 6.312 5 40 JKBB O=C1S/C(=C/c2ccn(-c3cccc([N+](=O)[O-])c3)c2)C(=O)N1Cc1ccc(F)cc1Cl 22564690 SAWIHWGQRGRSIJ-UFWORHAWSA-N 457.870 5.415 5 40 JKBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223796728 JLXWCHFIZUCKIU-JOCHJYFZSA-N 492.041 5.205 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1ccc(Cl)cc1 409189631 LXHVXMVAJMVXAC-FYJGNVAPSA-N 466.902 6.068 5 40 JKBB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)Nc1cc([N+](=O)[O-])ccc1Cl 3366239 LULXRBUAJGJGIU-UHFFFAOYSA-N 458.858 5.077 5 40 JKBB COc1c2c(cc3c1[C@H](C[C@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 9033284 DOTASAVNOLKOGW-LQGLAIQGSA-N 494.696 6.125 5 40 JKBB biogenic CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C 9234049 NTGOSEYRJZPDST-RBISFHTESA-N 499.611 7.079 5 40 JKBB COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\c2ccccc2)cc1OC 15277047 NWBLJMIVNNCRMR-QPLCGJKRSA-N 461.543 5.617 5 40 JKBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 16399794 YBZIYIVYFDBKOP-UHFFFAOYSA-N 489.340 5.281 5 40 JKBB O=C(Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1)c1ccco1 20411076 QQIKRSFFYWGYOO-UHFFFAOYSA-N 474.454 5.562 5 40 JKBB COc1c(Br)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 33422673 MOUSASJAMYYXPS-UHFFFAOYSA-N 457.280 5.197 5 40 JKBB COC(=O)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cc1 79491307 QEMKQMWWBRPKAD-UHFFFAOYSA-N 457.486 5.701 5 40 JKBB CCOc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100045960 CKYWWNXXCWAQKG-UHFFFAOYSA-N 478.373 5.287 5 40 JKBB Cc1cc2nc3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5Br)o4)c(=O)n3c2cc1C 409393800 SFOJPTWBRCVCGX-KEBDBYFISA-N 496.342 5.004 5 40 JKBB O=C(CSc1nnc(-c2cccnc2)o1)N(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 8435603 JJYOUWFFAVEJOU-UHFFFAOYSA-N 481.921 5.019 5 40 JKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8835284 LFPTUHJROJEIIT-UHFFFAOYSA-N 499.508 5.493 5 40 JKBB COc1ccc2cc(COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c(Cl)nc2c1 11278072 YBMXWUAVUFIYBN-UHFFFAOYSA-N 458.901 5.108 5 40 JKBB Nc1ccc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1[N+](=O)[O-] 12657469 VZPIUXXZMMIPTQ-IBGZPJMESA-N 460.273 5.021 5 40 JKBB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)Nc1ccc([N+](=O)[O-])cc1Cl 16043914 XHLNNDBBWQTEQV-UHFFFAOYSA-N 487.415 5.776 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1 16401590 DVUCKFPQTCVUQN-UHFFFAOYSA-N 480.779 6.336 5 40 JKBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C(C)(C)C)ccc1[N+](=O)[O-] 22257631 MJPLEWKGRFZOKT-UHFFFAOYSA-N 493.347 5.466 5 40 JKBB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1 59417255 CMDGWLYIMINGSQ-UHFFFAOYSA-N 491.297 5.612 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223918287 IBDVVYJPLGBIKJ-LOSJGSFVSA-N 485.569 5.493 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223989890 GHVXCBOFWQEPBW-DQEYMECFSA-N 499.552 5.385 5 40 JKBB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408603240 FGXJKTWTYAKUNM-NRFANRHFSA-N 483.933 5.001 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2333362 BTSJYFUEOVOPJD-UHFFFAOYSA-N 475.552 5.097 5 40 JKBB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2661227 GBRNMVSIAXGKKW-CYBMUJFWSA-N 469.910 5.208 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Cl)c2c(c1)OCO2)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2708497 ULUJTGBEYPBPTM-KRWDZBQOSA-N 455.297 6.279 5 40 JKBB CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2744294 QNCNBHGULSXKBW-WQRHYEAKSA-N 484.917 5.632 5 40 JKBB COc1cc(C(=O)Nc2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15304258 JSLGXUQSWIUMDJ-UHFFFAOYSA-N 466.799 6.320 5 40 JKBB CC(=O)N1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2-c2nc3ccccc3s2)C1 16890388 CIECEXMVZYQUBC-UHFFFAOYSA-N 478.555 5.090 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 113833863 NAQOUDHSHDCEKA-HYARGMPZSA-N 462.483 5.423 5 40 JKBB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 226769293 HOFUNVPSJNWBID-UHFFFAOYSA-N 453.248 5.381 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 409177618 COIORBURDRMQNA-PLQXJYEYSA-N 498.491 5.200 5 40 JKBB O=C(Nc1cccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 409196689 YCUPPALWZVXSRC-UHFFFAOYSA-N 476.228 5.281 5 40 JKBB CCCCCN(CCCCC)[C@@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729674 NOUFWEXHTCTUAU-DCFHFQCYSA-N 470.495 7.860 5 40 JKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 1858918 IGDFPJGJMMMSPO-DHZHZOJOSA-N 476.539 5.104 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 2264984 FWHXWXLYODCTTG-UHFFFAOYSA-N 455.562 5.571 5 40 JKBB O=C(Nc1ccc(Cl)cc1Cl)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 2272085 FAYLIQXDEIYZNL-OAHLLOKOSA-N 499.565 6.035 5 40 JKBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)Nc1cccc(C(F)(F)F)c1 2771274 GNPCJMSOWFSQFB-UHFFFAOYSA-N 475.379 5.885 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 9539822 MGUNPXCLEDFJGR-UHFFFAOYSA-N 485.541 5.237 5 40 JKBB CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-] 13633081 GAJOIVHEOBLJLQ-UHFFFAOYSA-N 465.381 5.322 5 40 JKBB O=C(Nc1ccc2cc3ccc(NC(=O)NC4CCCCC4)cc3nc2c1)NC1CCCCC1 16400052 ZUBVHKYUZNRFNU-UHFFFAOYSA-N 459.594 6.296 5 40 JKBB O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc3ccccc3c2o1 20501861 BMBIOPDCBXZFME-UHFFFAOYSA-N 460.577 5.853 5 40 JKBB biogenic CCOc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc([N+](=O)[O-])c1O 37342276 GMGOTOZIDHOVOP-UDWIEESQSA-N 450.472 5.089 5 40 JKBB Cc1nn(-c2ccccc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c1=O 101275355 HFXMVVADXJCHFO-UHFFFAOYSA-N 460.877 5.022 5 40 JKBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224442778 WKBCHQSYNMXXBG-DHIUTWEWSA-N 459.506 5.097 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224944581 MHWPGEHZAHIOMK-UHFFFAOYSA-N 464.275 5.932 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 409213516 PNLHBAZUZRZCNY-CIAFOILYSA-N 477.498 5.147 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2302114 KQTYQSANRZTBKI-UHFFFAOYSA-N 480.399 6.479 5 40 JKBB CCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2C(=O)OC(C)C)cc1 2760101 ZFKMLPZCHKSGQL-UHFFFAOYSA-N 483.502 5.611 5 40 JKBB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)cc1 6601137 UKAMOKGEJXJKRA-UHFFFAOYSA-N 465.578 6.580 5 40 JKBB CCCCSc1nnc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 9369038 XKZYVXWSZAQUSO-UHFFFAOYSA-N 493.511 5.325 5 40 JKBB O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccc(O)cc3)n2)c1 16399727 QWDXCJLYFZYBKZ-FIFLTTCUSA-N 481.468 6.083 5 40 JKBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)cc1C 408545685 MIDBTMSCYKVDON-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 408613558 YBJGSDMQFSHRGN-UHFFFAOYSA-N 457.324 5.947 5 40 JKBB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409010510 FFZNCTISNZDWAN-MDBUFAAASA-N 476.938 5.671 5 40 JKBB Cc1nn(-c2ccccc2)c2nc3oc(C(=O)c4ccccc4)c(N)c3c(-c3ccc([N+](=O)[O-])cc3)c12 642423 OLVYALBWMHRJHI-UHFFFAOYSA-N 489.491 5.864 5 40 JKBB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2268105 KFBXEYUPJHUQSW-MGPUTAFESA-N 477.973 7.055 5 40 JKBB CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 5105607 KMIPMRPJBMMFKA-UHFFFAOYSA-N 490.600 7.019 5 40 JKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 9064961 FNQLWSZOJZURIR-UHFFFAOYSA-N 462.556 5.615 5 40 JKBB O=C(Nc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 9097219 YNSNPXIUNGHKCS-UHFFFAOYSA-N 499.854 5.320 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 9232573 GYRMNZPOWQKWLV-LPYMAVHISA-N 464.474 5.549 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc3c(c2)OCCO3)c2nc(CCCC)n3c4ccccc4nc3c12 9293033 XRQDIVAPRPCIAV-UHFFFAOYSA-N 498.583 6.036 5 40 JKBB O=C(Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12)c1ccc(Br)cc1 9414215 QGMSUICUOOGROO-UHFFFAOYSA-N 480.274 5.608 5 40 JKBB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-] 22566938 BIFNRBCCSFKYMV-MRXNPFEDSA-N 459.502 6.568 5 40 JKBB CN(Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)Cc1cc([N+](=O)[O-])ccc1Cl 24260043 UUBSBXWXFACRGY-UHFFFAOYSA-N 475.357 5.499 5 40 JKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115379 RJZAHSDTIRZZOS-UHFFFAOYSA-N 459.792 5.352 5 40 JKBB O=C1[C@@H](c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 33926913 GJIMZCRNDFWIFS-YVHASNINSA-N 493.519 6.025 5 40 JKBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 35131549 NBMXAGJZVUEAEY-HCZOABNBSA-N 462.418 5.126 5 40 JKBB COc1ccccc1Cn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398709 IHORPMZLAZJVNU-UHFFFAOYSA-N 478.335 5.064 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223403255 IVBFWPNYAXUHGV-JWQCQUIFSA-N 486.553 5.431 5 40 JKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224157197 WWKZDRWQWAXICI-DEOSSOPVSA-N 483.634 5.003 5 40 JKBB O=C(O)/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)Sc1nc2ccccc2o1 408631713 AYYCTPPMAPZAED-QRVIBDJDSA-N 471.494 5.957 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)S2)cc1 408775157 FIAOVRIZUDNQKP-QCHPHUCNSA-N 451.504 5.025 5 40 JKBB CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(CC)cc3)c(=O)c2c1C 409117749 MODOSNNSPSETJX-UHFFFAOYSA-N 479.627 6.471 5 40 JKBB CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc12 6142739 LAWTZQIWJXYVCA-UHFFFAOYSA-N 496.541 5.869 5 40 JKBB Oc1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c(O)nn(C4CCCCCC4)c3nc12 79494899 IPKBBJKMMLIKFE-UHFFFAOYSA-N 464.525 6.852 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1 215121327 DABDSNVKBQHUHW-KEBDBYFISA-N 488.880 5.892 5 40 JKBB COc1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)cc1[N+](=O)[O-] 409332165 CKYIZJUGQQXGFT-HOTGVXAUSA-N 483.571 5.185 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc(Cl)cc3)c2ncn1Cc1ccc(Cl)cc1 2256934 RNGCHTGFNOVZTJ-UHFFFAOYSA-N 486.362 5.698 5 40 JKBB O=C(O[C@@H](CCc1nc2ccccc2s1)c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3241356 XWFOXKHPGVVGJP-IBGZPJMESA-N 475.551 6.345 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@H](c1ccc3c(c1)OCO3)N1C(=N2)C(O)=Nc2ccccc21 3309877 KLOKIYCSXAGOLO-QHCPKHFHSA-N 494.467 5.059 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 4786442 LJECTCMAZCLOMV-XMMPIXPASA-N 453.502 5.489 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3sc(C)c(C)c3c2=O)cc1 9058481 HLKIPLRFLCRNJW-UHFFFAOYSA-N 480.571 5.011 5 40 JKBB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 12193910 WTVJLSVGIAMVHZ-JTHBVZDNSA-N 454.313 6.452 5 40 JKBB C[C@H](Sc1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1)C(=O)NC(c1ccccc1)c1ccccc1 30835617 GFKRQAWRMPOBFR-KRWDZBQOSA-N 458.543 5.371 5 40 JKBB Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 408756606 IBVGUVMBWOBLDZ-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1cccc2ccccc12 408975892 OTKITZRTTYVEOR-UHFFFAOYSA-N 466.504 6.677 5 40 JKBB CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5CC)c(C)c4CC)c(C)c3CC 4208896 SEZHKQAQSTVZMK-UHFFFAOYSA-N 478.684 8.738 5 40 JKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc([C@@H](C)CC)cc1 6150811 QHUAQVFCUUIJSE-IBGZPJMESA-N 467.617 6.406 5 40 JKBB Cc1ccc2[nH]c3c(cc(OC(=O)c4ccccc4)c4c(=O)c5ccccc5c(=O)c43)sc2c1 6281972 LEYAHRWQBZWNIG-UHFFFAOYSA-N 463.514 5.937 5 40 JKBB C[C@H](CCc1ccccc1)NC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792163 ONZQYXYHVKHIKS-LJQANCHMSA-N 475.548 5.108 5 40 JKBB biogenic CC(C)(C)[C@@H]1CC[C@@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]2C1 8974192 UTHVRYMNNMKNFX-YOJAFSQSSA-N 480.586 6.240 5 40 JKBB Cc1ccc2oc3cc(NCCCN4CCC(C)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9087801 LNNLVBYNBVWVOM-UHFFFAOYSA-N 481.596 5.783 5 40 JKBB COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1Br 9345408 MXFVUKPWIPNYTI-UHFFFAOYSA-N 468.716 5.395 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 12354325 NGIGSNSDAJOJRC-VXLYETTFSA-N 485.861 5.653 5 40 JKBB CCOc1cc(-c2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c(-c3ccccc3)[nH]2)ccc1O 13661199 PKPLWTUIMXTSLA-UHFFFAOYSA-N 477.520 7.090 5 40 JKBB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)no2)cc1 61997107 FHMMBMIGPHCLQH-UHFFFAOYSA-N 460.284 5.444 5 40 JKBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)oc3ccc(Cl)cc3c2=O)cc1 101333678 IEBGGNAPMVYMIE-UHFFFAOYSA-N 450.834 5.283 5 40 JKBB Cc1ccc(OC[C@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCC(C)CC2)c(C(C)(C)C)c1 226071646 URLJCWWBJVHSAE-CECITJQSSA-N 455.619 5.387 5 40 JKBB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 408814883 SLYODPAWESYEGL-JGHMOANSSA-N 488.589 6.909 5 40 JKBB CCCN(Cc1ccccc1)C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408978189 YSIQRYYRBXQYRW-UHFFFAOYSA-N 472.552 6.324 5 40 JKBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1 409331191 CVNGUWQZSWHNPD-LJQANCHMSA-N 470.536 5.901 5 40 JKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)c(C)nc32)c1 2246200 DOMLVFVTZHVOOQ-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB CCCCCC(=O)Oc1cn(-c2cccc(OC)c2)c2nc(CCCCC)n3c4ccccc4nc3c12 9124579 UGBRXTADRCGCQE-UHFFFAOYSA-N 498.627 7.053 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N[P@]1(=O)C2=C(N3CCCCC3)CC(C)(C)CC2=NN1c1ccccc1 13302862 XCGQIAWPBCEOGD-PGUFJCEWSA-N 493.548 6.902 5 40 JKBB COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 59474802 LQLFVOKMTKPWRG-UHFFFAOYSA-N 494.554 5.196 5 40 JKBB COc1ccc2[nH]c(=O)c(-c3c4cnn(C(C)C)c4nc4c3oc3c(C)c(O)ccc34)cc2c1 96115113 BNONIFRPHJGYNL-UHFFFAOYSA-N 454.486 5.443 5 40 JKBB biogenic Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102752878 TZGJHJKWADXIOC-UODIDJSMSA-N 479.492 5.108 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 224287132 QGKVLXLVJCSINW-DQEYMECFSA-N 470.554 6.044 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408554507 FFZDSVOVNIDJAL-UHFFFAOYSA-N 481.763 7.145 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408696327 ZTGIDGCZFHYORO-UHFFFAOYSA-N 454.273 5.402 5 40 JKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)c1ccc(OC(F)F)cc1OC(F)F 2636440 IIXSLABYXMOFMR-UHFFFAOYSA-N 472.390 6.236 5 40 JKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3221904 WIUQKDQGQWFMJB-UHFFFAOYSA-N 475.917 5.963 5 40 JKBB O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4181436 LOVSTFPTBZNYLW-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1 8746979 KMRCGVDKBPWRBH-HXUWFJFHSA-N 465.922 5.301 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccccc2)cc1 8856870 MJVZYWOCZNYIFS-UHFFFAOYSA-N 460.471 5.854 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902514 GLUQXTDLFGKDJR-ZZXKWVIFSA-N 488.327 5.650 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 9160977 MXSRAYHEKVKGBH-UHFFFAOYSA-N 453.590 5.981 5 40 JKBB COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 9309331 XTYMJBQCEKXRIT-UHFFFAOYSA-N 482.949 5.709 5 40 JKBB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2)c1cccc([N+](=O)[O-])c1 9330016 NGNKRSMKQYTCNH-NRFANRHFSA-N 490.882 5.287 5 40 JKBB CCOc1cccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)c1 11614366 TTWRIJKHQORZKL-QHCPKHFHSA-N 452.466 5.391 5 40 JKBB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14270769 SLTZIMKMOQIZAF-UHFFFAOYSA-N 458.908 5.245 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 14271075 SGRNKFPHTZKFTO-UHFFFAOYSA-N 455.923 5.262 5 40 JKBB COc1ccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1OCc1ccncc1 32911941 SVBLNEVBHPQNRZ-UHFFFAOYSA-N 470.485 5.573 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 223873024 IMPISVXFLQKTPB-PKTZIBPZSA-N 458.499 5.133 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1C 408566309 FGZYMKZHNUXVEL-VWLOTQADSA-N 474.586 5.882 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 408569071 IPNLIHJWCBHGED-FQEVSTJZSA-N 485.367 6.861 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1C 408570902 MGMFSFXDYYWCBQ-VWLOTQADSA-N 492.576 6.021 5 40 JKBB Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409172965 JUKMAIUGTUAEKR-MHZLTWQESA-N 494.503 5.937 5 40 JKBB O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409182156 ILNSIKPAYLHWPO-UHFFFAOYSA-N 496.475 5.679 5 40 JKBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2c4ccccc4cc4ccccc24)N3)C1 8722164 IHOHCOCXZAJRRL-QHCPKHFHSA-N 457.555 5.423 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)cc([N+](=O)[O-])c1 8836468 LIXPVXNFRHWLDZ-UHFFFAOYSA-N 460.837 5.165 5 40 JKBB COc1ccccc1-c1nnc(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)o1 9669946 FGFCICIMZNMJLY-NRFANRHFSA-N 476.514 5.434 5 40 JKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16284424 UAKSGELXNBVFJB-UHFFFAOYSA-N 457.877 5.696 5 40 JKBB CC(=O)Nc1ccc(Br)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 16321392 ADSBSZAJQIGWRQ-UHFFFAOYSA-N 485.290 5.465 5 40 JKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 16692055 CYXHNKCRKMTZJG-UHFFFAOYSA-N 476.514 5.237 5 40 JKBB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 57313522 WOXCUOJSPSYPQD-WYMLVPIESA-N 466.515 5.624 5 40 JKBB O=C(Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1)c1ccccc1[N+](=O)[O-] 59461297 JAWWNAXSPQHHHZ-UHFFFAOYSA-N 490.393 7.056 5 40 JKBB CCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1/C=C/Nc1cc(Cl)cc(Cl)c1 100334951 QFVZUTBFELAZRM-BQYQJAHWSA-N 455.297 5.908 5 40 JKBB O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225229193 XVMQBNSPFKFESW-MUUNZHRXSA-N 499.611 5.226 5 40 JKBB CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408559076 XIACQSNRJCHOIX-UHFFFAOYSA-N 491.769 6.601 5 40 JKBB O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2)cc1 408613574 YEXTWNREFQNXTA-UHFFFAOYSA-N 492.167 6.311 5 40 JKBB CC(C)Cc1nc2sc3c(ncn4c(SCC(=O)c5ccccc5)nnc34)c2c2c1CCCC2 1306750 AJVMGHXFALAGRY-UHFFFAOYSA-N 487.654 5.940 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)cc1 2326865 AJDVRGCBLHVSEL-UHFFFAOYSA-N 456.911 5.352 5 40 JKBB Cc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc21 2326899 PSRMLNNQFNUCGP-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4F)n3Cc3ccccc3)c1)OCOC2 3562987 IADNFTKTSYOESM-UHFFFAOYSA-N 478.505 5.200 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 8919641 MXNCFJFGMMLGBA-RCDICMHDSA-N 465.575 6.886 5 40 JKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)Cc1coc2cc(OC)ccc12 12612460 MMILHKIQYUVRGG-UHFFFAOYSA-N 480.498 5.436 5 40 JKBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 23956692 DXALJGNBMHGDIR-GIJQJNRQSA-N 473.243 6.178 5 40 JKBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108165228 QDUBBEVFXUHXSJ-UHFFFAOYSA-N 470.721 5.942 5 40 JKBB O=C(NCCSCc1ccc(Cl)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408920594 JTHPOTMQSMHTAF-KGENOOAVSA-N 487.408 6.492 5 40 JKBB O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1 408996401 DKFUKUCZSIQHND-UHFFFAOYSA-N 493.906 7.099 5 40 JKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 409182650 MNABJHSTABFBJB-UHFFFAOYSA-N 478.460 5.342 5 40 JKBB CCOc1ccccc1C(=O)Oc1c(Sc2ccccc2[N+](=O)[O-])c(C)nn1C(C)(C)C 2718575 SRBUHJIGRUXCHP-UHFFFAOYSA-N 455.536 5.624 5 40 JKBB Cc1cc2occ(CC(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)c2cc1C(C)C 13097558 KBPSVKYUDRXHFP-UHFFFAOYSA-N 499.570 5.243 5 40 JKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 14277653 WMCCVKQFJXPJMI-UHFFFAOYSA-N 475.913 7.037 5 40 JKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c4ccccc4cc4ccccc24)N3)C1 15945736 VLJOFPOFJPMNBW-NIYFSFCBSA-N 454.639 8.025 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 16195706 UGZSAYPAHBSSKR-UHFFFAOYSA-N 486.366 5.147 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl 22712246 DKASYUGUCOQIFS-RMKNXTFCSA-N 476.341 5.996 5 40 JKBB CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C(=O)OCC(C)C)=C(C)N1 26964972 CULOZLVGZIODSF-UHFFFAOYSA-N 496.560 5.488 5 40 JKBB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225537696 CAGRUAQKMNELLP-QFIPXVFZSA-N 479.621 6.079 5 40 JKBB C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408973865 CECJHVYLMHYMMU-INIZCTEOSA-N 472.577 6.027 5 40 JKBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)o1 409150096 AEJSOXMCCYAKEJ-UHFFFAOYSA-N 497.558 5.028 5 40 JKBB O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 1940988 KKOOHQITHRWVSQ-UHFFFAOYSA-N 475.806 6.619 5 40 JKBB biogenic O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8831865 RGYROHFPUFAVFW-UHFFFAOYSA-N 461.909 5.644 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 8833301 SNKBIKRCRWYZKZ-QPJJXVBHSA-N 492.340 5.697 5 40 JKBB O=C(Oc1cn(C2CCCCC2)c2nc(-c3cccs3)n3c4ccccc4nc3c12)c1cccs1 9307990 ZXQMRYDAAXFHIO-UHFFFAOYSA-N 498.633 7.352 5 40 JKBB CCn1c2ccccc2c2cc([P@](=Nc3cc([N+](=O)[O-])ccc3C)(N(C)C)C(C)(C)C)ccc21 12524737 JVXBWNSNODEFAA-UMSFTDKQSA-N 476.561 7.464 5 40 JKBB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 14273961 YMXPJSPUVCZNBB-UHFFFAOYSA-N 474.542 5.331 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 33500002 ZYOUBLJPJAAQTC-UHFFFAOYSA-N 497.351 6.137 5 40 JKBB COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)O)cc3s2)cc1[N+](=O)[O-] 59417545 HRHOBSHVDBWXFQ-UHFFFAOYSA-N 495.538 5.456 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224345899 VEWFVZBNHQEIMK-RPBOFIJWSA-N 469.570 5.520 5 40 JKBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224792593 WRUUBASAWIQFJM-NDEPHWFRSA-N 499.611 5.145 5 40 JKBB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F 224908339 OZCLKDRQCOTHOP-RPWUZVMVSA-N 473.533 5.405 5 40 JKBB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1 224937736 BMTXKDIQNTWSGT-UHFFFAOYSA-N 459.458 5.495 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408569214 JCYKQPZQQLYZPQ-FQEVSTJZSA-N 481.892 5.726 5 40 JKBB CCCCOc1ccc(-n2cc(OC(=O)CC)c3c2nc(CC)n2c4ccccc4nc32)cc1 2331150 MYOVNGUPIZPQEG-UHFFFAOYSA-N 456.546 5.883 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1[N+](=O)[O-] 4149953 UPGMEIVBTZOXFO-UHFFFAOYSA-N 450.472 5.122 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCNc1nc(N2CCCC2)nc2ccccc12 9158341 LFRPTUJDLMQGRS-UHFFFAOYSA-N 460.460 5.071 5 40 JKBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc34)[C@H]2C(=O)N1c1ccc(F)cc1 9185011 CFQJURVDZRPFOM-MPFGFTFXSA-N 488.518 6.183 5 40 JKBB CCCOc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1OC 9449600 SLOGCRBNOJWPLA-RUZDIDTESA-N 496.519 5.790 5 40 JKBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 12318969 WKFVJEUYHNQGMM-YQOVMPOYSA-N 467.518 5.252 5 40 JKBB biogenic COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2ccc2ccccc23)cc1 12487993 MROGAYOGXALDGI-UHFFFAOYSA-N 465.578 6.498 5 40 JKBB COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CCC(=O)N1c1ccc(C)cc1 12925836 YWMBFDMJCZFNFD-AVRWGWEMSA-N 495.482 5.313 5 40 JKBB O=C(/C(=C/c1ccc(F)cc1)c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 24762774 XHHKWGRJXXTJHC-LTGZKZEYSA-N 488.544 5.233 5 40 JKBB O=c1c2ccccc2nc(CSc2nc(-c3ccccc3[N+](=O)[O-])c[nH]2)n1-c1ccccc1Cl 30835640 PBYLZVLJNKZEAR-UHFFFAOYSA-N 489.944 5.630 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 32116697 IBJFJNSBQBGTEG-UHFFFAOYSA-N 488.681 5.777 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1 100170574 YDAIIMBJYHNCHW-UHFFFAOYSA-N 477.427 6.471 5 40 JKBB Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 100654766 DXKYQIGENZIVSX-UHFFFAOYSA-N 454.438 5.984 5 40 JKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225616246 LNTHZLGCWRNOAK-JTSKRJEESA-N 492.041 5.204 5 40 JKBB Cc1ccc(C[N+]2(C[C@H](O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)CCCCCC2)cc1 226071010 AKPNNDZUVMKFHV-MHZLTWQESA-N 466.730 6.921 5 40 JKBB Cc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1Cl 409084877 QUJJNUISMZIHAB-UHFFFAOYSA-N 493.950 7.691 5 40 JKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1 409359064 MSAOPXWMXLEIHK-MFKUBSTISA-N 466.562 6.285 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)cc1 2303568 SEFYGWMBVONWGS-UHFFFAOYSA-N 453.546 5.496 5 40 JKBB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 2316685 VHGSCDBLSJPRPV-AREMUKBSSA-N 459.571 5.604 5 40 JKBB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)nc2c1 8835196 KKQCFFLHUBKRCY-UHFFFAOYSA-N 476.514 5.161 5 40 JKBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9302099 AANPZYPSFOYWBD-DEOSSOPVSA-N 457.515 5.105 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 9464031 GVYIMSKATDGVID-UHFFFAOYSA-N 485.541 5.237 5 40 JKBB O=C([C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1)N1CCCC1 12524942 CSYSXFSJRPBTBQ-QHCPKHFHSA-N 485.569 5.298 5 40 JKBB Cc1ccc([P@](=Nc2ccc([N+](=O)[O-])cc2Br)(Oc2ccccc2)C(C)(C)C)o1 12575384 WNRJCVKYSOLLTD-LJAQVGFWSA-N 477.295 7.209 5 40 JKBB CC(=O)Nc1ccc2c(COC(=O)c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)cc(=O)oc2c1 13129001 VXVYTWZRLRKSGC-UHFFFAOYSA-N 490.493 5.168 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nc2c1 20807971 JAFFUNJSWMMUCL-UHFFFAOYSA-N 498.347 7.485 5 40 JKBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 101083972 BPCLZUYHUKELOU-UHFFFAOYSA-N 465.259 5.383 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106721226 JVHXBOYVPNRBNZ-CHHVJCJISA-N 488.146 5.901 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408558180 QHVJRVCPSAVBMM-UHFFFAOYSA-N 477.395 6.325 5 40 JKBB CCc1nnc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)O)o1 408631846 MFKDHYBOLWXHAI-NDENLUEZSA-N 464.503 5.069 5 40 JKBB CC(C)c1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409120558 UGPHSINYKZADAA-SSEXGKCCSA-N 491.591 7.080 5 40 JKBB Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccccc2O)c(C)c1 409412237 ACDAOKJVWZXOPW-UHFFFAOYSA-N 489.557 5.204 5 40 JKBB Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5cccc([N+](=O)[O-])c5)cc4C3=O)cc2)cc1C 2054667 PGQUKCKTALMEMU-UHFFFAOYSA-N 492.487 6.036 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)c(C)nc32)cc1 2315288 KJQQKYAMIPEKOV-SFHVURJKSA-N 459.553 5.764 5 40 JKBB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1nc2ccc([N+](=O)[O-])cc2s1 2784743 MYYQCHKQORMQQJ-UHFFFAOYSA-N 499.577 6.059 5 40 JKBB COc1cc(OC)cc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(=O)oc3ccccc23)c1 3189647 WQLANOUMDZRBDP-UHFFFAOYSA-N 479.466 5.089 5 40 JKBB O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1C(F)(F)F 3413812 VJRKEPWQHKDQRA-NSHDSACASA-N 456.471 5.264 5 40 JKBB O=[N+]([O-])c1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(Br)cc3)n2)cc1 3765722 YNGRVOHBRZOJAL-UHFFFAOYSA-N 495.280 6.352 5 40 JKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 8449350 WKFVJEUYHNQGMM-WPSZSDGUSA-N 467.518 5.252 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1 9232803 TWFIRILGFQJODX-BUVRLJJBSA-N 490.537 5.809 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1C 22562656 FBOYMPDNDYKIDA-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O 37090556 GRORJOBVRANNMP-XBXARRHUSA-N 478.313 5.394 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463603 HQHHIKLWIFMASS-UHFFFAOYSA-N 494.370 6.709 5 40 JKBB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463641 STJLVMUPIPRLRZ-UHFFFAOYSA-N 459.527 6.263 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106708005 QQBXFUDMEZNXRH-XKZIYDEJSA-N 491.525 5.726 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1 408567120 GNFXECWWQUXOLA-QHCPKHFHSA-N 482.512 5.543 5 40 JKBB CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(OC)cc3)c(=O)c2c1C 409119566 SVZSBMLFSXBERK-UHFFFAOYSA-N 481.599 5.917 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409354560 HSQDNGZGQBYYOZ-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12 409360271 ZNDXVYIGPLTFRJ-ODLFYWEKSA-N 467.890 5.076 5 40 JKBB O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 2678493 OHTSSGNAFMDSCC-CQSZACIVSA-N 456.635 5.152 5 40 JKBB COC(=O)c1c(C(C)(C)C)oc2c1cc(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc12 8974144 CULINYCEZNOCGR-UHFFFAOYSA-N 496.541 5.688 5 40 JKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 14270487 FFDWTLUPEPKONS-UHFFFAOYSA-N 462.556 5.615 5 40 JKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 14272283 HMKXDWNLFZIPTH-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 20970294 VURLFYKUIRGGSB-HSZRJFAPSA-N 489.919 5.534 5 40 JKBB O=C(Nc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1)c1cccc(Cl)c1 57315571 IWYCMYNBACBYAR-UHFFFAOYSA-N 486.336 6.621 5 40 JKBB COc1ccc(-c2csc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 57315779 LVBXFRZOWDPRCJ-UHFFFAOYSA-N 452.536 5.216 5 40 JKBB O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 59474795 ORKARSCLOPCTIO-JLHYYAGUSA-N 490.566 5.587 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccccc1Cl 100442381 DCZHSZOXXHOBCX-WLRTZDKTSA-N 467.777 5.332 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224411940 XJNYBLAIYLFYDM-DHIUTWEWSA-N 460.490 5.566 5 40 JKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c(C(C)(C)C)c1 226070272 YCYHGACSDOBDBC-NDEPHWFRSA-N 496.756 6.629 5 40 JKBB CN(C)c1ccc([C@H]2[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccc(Cl)cc2)cc1 248085240 WGCKGYUFBBLHEK-XDZVQPMWSA-N 473.960 5.302 5 40 JKBB CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409067181 JTGPTZYHZFDJTK-UNOMPAQXSA-N 491.363 5.773 5 40 JKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccccc2[N+](=O)[O-])c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409374118 XRYZKVZXPWMDJB-UHFFFAOYSA-N 481.512 5.583 5 40 JKBB CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)COc1ccc(C(C)C)c(C)c1 1916466 PUUKVEXZYIWPFU-UHFFFAOYSA-N 482.558 5.949 5 40 JKBB O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc2ccccc2n1 3224046 NVXPWOWNJZNHCQ-QFIPXVFZSA-N 461.861 5.333 5 40 JKBB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122614 PEVLWVZJQWQMEE-UHFFFAOYSA-N 462.893 5.909 5 40 JKBB O=[N+]([O-])c1cccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 8836996 NIDDOFJRFLLDEL-RBBKRZOGSA-N 474.731 6.797 5 40 JKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)sc2c1 8903251 ISNGZEGCUUUQKT-UHFFFAOYSA-N 479.514 5.982 5 40 JKBB COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)c2ccccc2[N+](=O)[O-])c2ncnn21 10060444 FXRGSFZDQVOLIL-FGZHOGPDSA-N 489.919 5.230 5 40 JKBB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1C 14405481 CWOFAIKFPRRELR-OUKQBFOZSA-N 461.522 5.112 5 40 JKBB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12 16779769 FWNFMLWEEVYUNQ-UHFFFAOYSA-N 463.515 5.159 5 40 JKBB O=C(Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1 16805811 PIQOJKFBFPFFMD-UHFFFAOYSA-N 465.259 5.587 5 40 JKBB Cc1ccc(NC(=O)/C(=C/c2c3ccccc3cc3ccccc23)NC(=O)c2ccc(C)cc2)cc1 17185893 HZKOOYJTKOWKGY-COEJQBHMSA-N 470.572 7.019 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F 224908295 OZCLKDRQCOTHOP-ZEQRLZLVSA-N 473.533 5.405 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)c1 408570993 MPRMYFOLLMLBPM-XMMPIXPASA-N 495.004 6.227 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1 408571641 PJLXLFGXLSOACQ-HSZRJFAPSA-N 498.967 6.057 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 408613092 XKCRGQPWDWJVAO-UHFFFAOYSA-N 458.268 5.457 5 40 JKBB CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1 408694033 HLMXNNPBTSXUDF-UHFFFAOYSA-N 463.881 5.147 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1 408751250 YHOUPHVWBBMWNG-UHFFFAOYSA-N 483.502 5.586 5 40 JKBB CCCCCc1cc(O)c2c(ccc3c(O)c4c(cc32)C(C)(C)c2cc(O)cc(O)c2C4=O)c1 1538311 QUNHGOCXEGJZAT-UHFFFAOYSA-N 456.538 6.418 5 40 JKBB biogenic,in-vitro O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1CCc1ccccc1 2703540 PICPLJWGSBUBRH-QFIPXVFZSA-N 460.873 5.143 5 40 JKBB O=[N+]([O-])c1cc2c(c(Cn3c(COc4ccc(Cl)cc4Cl)nc4ccccc43)c1)OCOC2 3325266 WZVSTFOYGPCWEH-UHFFFAOYSA-N 486.311 5.745 5 40 JKBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Oc2ccccc2)cc1 6150718 PIALFFGKDJDHAR-UHFFFAOYSA-N 489.579 6.438 5 40 JKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8831868 KCWFLJNTSSUEJU-UHFFFAOYSA-N 461.909 5.644 5 40 JKBB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 9007634 NSWZYRVHOUDSPW-UHFFFAOYSA-N 456.951 6.704 5 40 JKBB Cc1ccc2oc3cc(NCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 9088050 GDJHXLBWOSHWNR-SFHVURJKSA-N 467.569 5.393 5 40 JKBB CCCCCC(=O)Oc1cn(CCCOC)c2nc(CCCCC)n3c4ccccc4nc3c12 9124454 LIEMQXPBHSQOIR-UHFFFAOYSA-N 464.610 6.092 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc(Cl)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9243378 GCAXHSUWNLTPKR-UHFFFAOYSA-N 474.992 6.918 5 40 JKBB Cc1nc2sccn2c1-c1nc(-c2cccc([N+](=O)[O-])c2)c(C(=O)c2ccc(F)c(F)c2)s1 12564583 IOQRNTQCKYSTPJ-UHFFFAOYSA-N 482.493 5.912 5 40 JKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 16691999 RXWSKHHQUJIXGV-UHFFFAOYSA-N 476.514 5.237 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 59294157 JGSHLRALYYNPJW-SDNWHVSQSA-N 485.883 6.968 5 40 JKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 408572736 RXMOLDOFYJFLNK-XMMPIXPASA-N 478.549 5.712 5 40 JKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1Cl 408574039 HOUQBUAQMBQHCV-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C(Nc1ccc2nc(SCc3ccccc3Cl)sc2c1)c1cccc([N+](=O)[O-])c1C(=O)O 408748996 DJGDZRWYLYWTDG-UHFFFAOYSA-N 499.957 6.101 5 40 JKBB CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 409015436 NAFCGVJGYNXIGO-RQZCQDPDSA-N 467.330 5.925 5 40 JKBB COc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409195321 ONXCFMDJSMGWQN-JMIUGGIZSA-N 492.871 5.129 5 40 JKBB O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1Cl 857097 BGTWICJQLSKVLL-UHFFFAOYSA-N 482.707 5.429 5 40 JKBB COc1ccccc1N(C(=O)COc1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3343709 UDHGVKRIRJSCNB-UHFFFAOYSA-N 479.489 5.610 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 7060202 GCYPHNFEEFGGGB-UHFFFAOYSA-N 491.813 5.238 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(CCC3=CCCCC3)c2ncn1Cc1ccc(Cl)cc1 8836721 YVDZEOISNDLKIC-UHFFFAOYSA-N 469.976 5.887 5 40 JKBB O=C(CCCSc1ccccc1)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1 10217865 YFLTXGMKOSWFHV-UHFFFAOYSA-N 464.572 5.705 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccccc2F)c(Cl)c1 16449984 VPLDIODWOKBFOC-UHFFFAOYSA-N 464.324 5.821 5 40 JKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2cccc(C(F)(F)F)c2)c1 44087835 OBWIAWJSQHOQKX-UHFFFAOYSA-N 473.451 6.898 5 40 JKBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1 408606849 RJSXSBKAZVPWGJ-UHFFFAOYSA-N 497.330 5.274 5 40 JKBB CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408633893 MWKSBIPGUIMMMM-UCQKPKSFSA-N 492.509 5.932 5 40 JKBB O=c1/c(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)sc2nc3ccccc3n12 408902404 INCFRLQDVXCLNM-MYYYXRDXSA-N 479.517 5.097 5 40 JKBB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)N(C)C2=S)cc1 409040168 XVNUYYMCEGSUGG-JLPGSUDCSA-N 489.553 5.177 5 40 JKBB O=c1c2cc(Br)ccc2oc2nc(-c3cccs3)n(CCc3ccccc3)c(=O)c12 2232506 NPZFIZVZVUYOPW-UHFFFAOYSA-N 479.355 5.237 5 40 JKBB CC(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 9960831 KJMLDTGGEGDXRX-UHFFFAOYSA-N 475.448 5.976 5 40 JKBB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 20436662 ZVQRUOHDMCLZFZ-UHFFFAOYSA-N 485.352 6.124 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 22567615 GJYJMMUOTXRBPV-XBXARRHUSA-N 460.298 6.423 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 44087137 HYLMNQOXRLLNEB-UHFFFAOYSA-N 482.924 5.971 5 40 JKBB Cc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccccc4)cc3)c([N+](=O)[O-])c2)cc1C 1865247 NRZDYKRHWGSMLK-UHFFFAOYSA-N 451.478 6.466 5 40 JKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2409361 UFHTYQJLSNRUHO-UHFFFAOYSA-N 459.553 5.511 5 40 JKBB CC(C)Cn1cc(OC(=O)c2ccccc2)c2c1nc(-c1ccccc1)n1c3ccccc3nc21 2444918 ABVOGRLIGKRIBH-UHFFFAOYSA-N 460.537 6.379 5 40 JKBB CCC(=O)Oc1ccc(-n2cc(OC(=O)CC)c3c2nc(CC)n2c4ccccc4nc32)cc1 8871237 RMDQHRJAHQLRNA-UHFFFAOYSA-N 456.502 5.020 5 40 JKBB Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 9316862 RNWJFZFAKJBPEG-UHFFFAOYSA-N 469.284 5.220 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2c(C)cccc12 13400439 STKXSQJWQGQEHZ-UHFFFAOYSA-N 460.515 5.253 5 40 JKBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 36020245 MUSCJXZNWNRCOK-JMFZDZGDSA-N 470.549 9.486 5 40 JKBB Cc1ccc([P@](/C=C2\N(C)c3ccccc3C2(C)C)(=Nc2cc([N+](=O)[O-])ccc2C)N(C)C)o1 96399327 JBFQPNFHSWSSTH-ALKKGNDLSA-N 478.533 6.708 5 40 JKBB Cc1ccc(C2=NN3[C@H](c4ccc([N+](=O)[O-])cc4)Oc4ccc(Br)cc4[C@H]3C2)o1 102873317 IBQFWMBTLOMZAQ-NQIIRXRSSA-N 454.280 5.501 5 40 JKBB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 224552400 ILJUWMAOWNVLKS-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225068722 DRJBRIUMWLZUIA-VWLOTQADSA-N 497.661 5.393 5 40 JKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)c1 408569570 JQCACIFEVUKYPM-DEOSSOPVSA-N 478.549 5.712 5 40 JKBB Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] 409007061 NGMCTMDBZWXWGI-NSHDSACASA-N 483.333 5.464 5 40 JKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1C(=O)c1ccccc1 409181653 FOXFLWOCDRWWCV-UHFFFAOYSA-N 453.450 5.975 5 40 JKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2400834 IFDJZCDONBRXKB-UHFFFAOYSA-N 452.345 5.637 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)cc1 2401444 LDOORZRAHAIXIW-UHFFFAOYSA-N 469.589 5.434 5 40 JKBB COc1ccccc1N(C(=O)COc1cccc(C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3353873 QVOWXJGMUMIZKM-UHFFFAOYSA-N 475.526 5.779 5 40 JKBB O=C(Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCC2)c1cc([N+](=O)[O-])ccc1Cl 8781332 GDVUCHMZDCCUCH-UHFFFAOYSA-N 491.956 6.456 5 40 JKBB Cc1ccc(C(=O)NCCn2cc(SCc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1C 9391934 DYSBYFBRWVZPSH-UHFFFAOYSA-N 459.571 5.889 5 40 JKBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 13946337 LPXZEXGBUSOILC-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)cc1OC 14185718 VCLQYNCCDOPNHU-QGZVFWFLSA-N 485.587 5.505 5 40 JKBB COc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc2ccccc2c1Br 14278168 LCDSUOWSRSPANT-UHFFFAOYSA-N 484.331 5.895 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 16525910 PNHFAKRYLJLAAC-UHFFFAOYSA-N 496.394 6.836 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 100359560 XBBSJCPHGTXXHU-UHFFFAOYSA-N 464.221 5.883 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215003168 CJYJMSBZUGTOFC-VXLYETTFSA-N 485.861 5.653 5 40 JKBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)O)o1 408635231 ZKWICLGRCALSTB-UNOMPAQXSA-N 498.904 5.315 5 40 JKBB O=C(O)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408755813 FXWMGYRTXMCQGQ-UHFFFAOYSA-N 487.855 5.644 5 40 JKBB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409137112 WJVBULBPSODXGQ-ZDLGFXPLSA-N 481.302 5.438 5 40 JKBB O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)c1ccc([N+](=O)[O-])cc1Cl 1772418 RDLZYWTYVSGGOY-UHFFFAOYSA-N 487.851 6.519 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1852850 GQPBDCOJCWFEHP-VWLOTQADSA-N 487.895 6.822 5 40 JKBB Cc1c(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc2c1oc(=O)c1ccccc12 3273253 GKPTZDHNKYVNCD-UHFFFAOYSA-N 461.823 5.944 5 40 JKBB CC(=O)Nc1ccccc1/C=C/c1cc(/C=C/c2ccccc2NC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-] 3845208 GDPXPLJIYGSVEG-PHEQNACWSA-N 486.484 5.761 5 40 JKBB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 6188808 XASCLSMCROMFAZ-QFIPXVFZSA-N 455.923 5.097 5 40 JKBB CC[C@H](Sc1nc2ccc(Br)cc2c2nc3ccccc3n12)C(=O)NCc1ccco1 9473208 APGRJERDENVSNX-FQEVSTJZSA-N 495.402 5.578 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 12630866 JYBAUAQRXQWEEP-UHFFFAOYSA-N 463.946 6.908 5 40 JKBB O=[N+]([O-])c1cc([C@@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)ccc1Cl 15947338 UBAULEYGOHNNSY-HXUWFJFHSA-N 454.939 5.297 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 16449973 CVPZWZWORICYFY-UHFFFAOYSA-N 490.785 5.791 5 40 JKBB O=C(c1ccccc1)c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 16492276 IFZQRJBFSUWXDX-UHFFFAOYSA-N 478.529 7.299 5 40 JKBB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 27521275 MKHBLKDDMTVAAB-UHFFFAOYSA-N 485.690 5.229 5 40 JKBB O=C1NC(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)S1 83311694 CFHPCJJKAHMYTK-XQNSMLJCSA-N 467.506 6.043 5 40 JKBB C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N1[C@@H](C)CCC[C@@H]1C 107078258 FCUDTFSZOAMCDU-BZSNNMDCSA-N 465.579 5.113 5 40 JKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 753000 GDLAYXAUWKXUNC-UHFFFAOYSA-N 476.492 6.492 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2cc(C)ccc2C)cc1 2249191 MONYVWLGUPGAAH-UHFFFAOYSA-N 459.553 5.566 5 40 JKBB O=C(CN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1Cl 8686612 XANGFEQTZHHXCL-UHFFFAOYSA-N 492.746 5.836 5 40 JKBB O=C(c1ccccc1)c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 9561868 MMVZNMQTTNXPPJ-GOSISDBHSA-N 492.582 5.476 5 40 JKBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 9684295 VNGMYTHHJNAQMQ-HNNXBMFYSA-N 460.515 5.333 5 40 JKBB Nc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1[N+](=O)[O-] 12650078 JQVOLJQDFGTYES-LJQANCHMSA-N 493.825 5.386 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc5c(c4)CCC5)o3)nc12 13643625 GDKDJNGHJNLQJB-UHFFFAOYSA-N 467.554 5.832 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1)Nc1ccccc1 44087821 LYSNCQFWBJYOLO-UHFFFAOYSA-N 498.486 6.197 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 59433370 WWTDWXUBCMMRJT-FGEXJBCWSA-N 458.901 5.209 5 40 JKBB Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 59463634 CETUUDAVERXRGQ-UHFFFAOYSA-N 474.498 6.163 5 40 JKBB CC(=O)c1sc(Nc2ccccc2)[n+](CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C 65090455 VVLNSKLYHZKENL-UHFFFAOYSA-O 465.477 5.329 5 40 JKBB O=[N+]([O-])c1ccc(/C=C\c2ccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 68563475 CDSARYSJQNNQEW-SFECMWDFSA-N 462.374 5.660 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 224036868 LWVMJCQZYHKVGR-DNQXCXABSA-N 486.509 5.156 5 40 JKBB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225537136 BPDWJOQDVRRTTC-OAQYLSRUSA-N 465.594 5.689 5 40 JKBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 409327190 RAXNJUHTVYUNLV-FLIBITNWSA-N 459.458 5.097 5 40 JKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409353631 ORPVUXUOPNXYFW-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 409357803 KGLUIARXKUSCLU-CIAFOILYSA-N 477.498 5.147 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C 1771121 PYTSDODCSZRKGK-DFHRPNOPSA-N 499.611 7.079 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCN4CCCC[C@H]4C)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9009835 GFZBGXXUGIRDSZ-GOSISDBHSA-N 467.569 5.536 5 40 JKBB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 22746526 MBGLBDZCJXGBEW-UHFFFAOYSA-N 488.573 5.107 5 40 JKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 102788993 YRKGYKRICRKDDK-NDEPHWFRSA-N 499.567 7.366 5 40 JKBB O=C1S/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3769710 LIRYMSWUCGMPDQ-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB COc1cc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC 9510644 ZUAJRYJHCKCKRG-QHCPKHFHSA-N 498.491 5.018 5 40 JKBB COCCn1c(C)cc(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)c1C 12542953 GUZDRAJNKPQIDW-UHFFFAOYSA-N 482.537 5.113 5 40 JKBB CN(C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)[C@@]1(c2ccccc2Cl)CCCCC1=O 12584221 QMZCAOVZTJGOAO-AREMUKBSSA-N 483.996 5.739 5 40 JKBB CCOc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 13555371 OEZOZAUBOUCPMA-HSZRJFAPSA-N 452.466 5.391 5 40 JKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 14358835 CQYCRKAJMHSQCH-CMDGGOBGSA-N 489.509 5.132 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(-c2ccc(Br)cc2)o1 57317094 VEIMYKZWMUGVDV-SDNWHVSQSA-N 493.313 6.207 5 40 JKBB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 59559199 UTNALBKSIZADGJ-UHFFFAOYSA-N 485.371 5.476 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223911478 NJRJIWMBYGOTBH-JWQCQUIFSA-N 485.569 5.493 5 40 JKBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224396400 YEYCFHLSDHOWPQ-FQEVSTJZSA-N 498.432 5.078 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c1C 408995271 LPVFEORZRNYXKI-UHFFFAOYSA-N 471.900 6.562 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409079174 KGORTEMSXLSBLV-YQHHHJOQSA-N 490.559 5.944 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409177090 AGBILVLXSHOBIR-RUZDIDTESA-N 480.904 5.443 5 40 JKBB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c2)cc1 409177318 DKTDIABAYYTPFY-UHFFFAOYSA-N 482.492 6.305 5 40 JKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1cc2ccccc2cc1C(=O)Nc1ccccc1 5329441 IQORRMLLLJORMM-UHFFFAOYSA-N 461.861 6.265 5 40 JKBB O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1cccc([N+](=O)[O-])c1C(=O)O 8911497 NXRTVBHBNKWWLX-UHFFFAOYSA-N 457.467 5.240 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3Nc4ccccc4C(c4ccccc4)(c4ccccc4)O3)o2)cc1 12376056 SVURBFDEYDZJMO-LJAQVGFWSA-N 474.516 7.288 5 40 JKBB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 21005498 PXKKIHMUKRXSNO-JOCHJYFZSA-N 459.893 5.526 5 40 JKBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 32124834 WOMSLWVQPVSPLT-MFOYZWKCSA-N 485.370 5.223 5 40 JKBB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225536905 NOKUCGDPUQRCSN-UHFFFAOYSA-N 451.567 5.300 5 40 JKBB O=C1N/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1 408932536 DBMQRHXMQBDMKE-QRVIBDJDSA-N 486.915 5.344 5 40 JKBB CCCCN1C(=O)c2cccc3c(Nc4cc(C)c(C)cc4Br)c([N+](=O)[O-])cc(c23)C1=O 408993529 DTSYHSDZVLNZAD-UHFFFAOYSA-N 496.361 6.267 5 40 JKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@@H]21 408994306 ZEJZXIFCVYCIFO-VJBMBRPKSA-N 451.320 5.837 5 40 JKBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 409345086 KHWIRNFWFSWSHK-CIAFOILYSA-N 477.498 5.147 5 40 JKBB CC(C)c1nc2sc3c(ncn4c(SCCc5ccccc5)nnc34)c2c2c1CCCC2 9461513 UAUQLPLGQDODRV-UHFFFAOYSA-N 459.644 6.224 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1Cl 14945390 YAFHJQSJMFJMGL-UHFFFAOYSA-N 469.910 5.128 5 40 JKBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139628 ZSPMWHTWHSLMFZ-UHFFFAOYSA-N 458.879 5.476 5 40 JKBB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101019734 UXEBEPCMWPDVDO-HXUWFJFHSA-N 472.892 5.148 5 40 JKBB Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Br)cc2)c1 408694991 NMTONXGHNKDTDD-UHFFFAOYSA-N 478.306 5.166 5 40 JKBB O=C(Nc1cccc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)cccc12)c1ccc([N+](=O)[O-])cc1 2023689 ZKBBIWXRYGNNCN-UHFFFAOYSA-N 456.414 5.161 5 40 JKBB CCCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 3769194 UMVRRNCRQYFNJV-HZHRSRAPSA-N 462.527 6.163 5 40 JKBB O=C(NCCSc1ccc(Br)cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 13149015 DMMOZBMKWWIOJX-UHFFFAOYSA-N 478.412 5.260 5 40 JKBB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c2C1 13149716 AFUZYBGUISFZGN-OAHLLOKOSA-N 495.963 5.743 5 40 JKBB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3O)nc2c1 14275084 WTGPCJBTMSFNRS-UHFFFAOYSA-N 476.514 5.106 5 40 JKBB CCn1cc(-c2cc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)c3ccccc3n2)cn1 22712772 FSYFPPNJPXGNFJ-UHFFFAOYSA-N 476.569 5.603 5 40 JKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1 409176877 ZTSUVZOOUOMKBX-SANMLTNESA-N 452.466 6.119 5 40 JKBB Cc1ccc(C(=O)c2ccc(Oc3ccc(-c4cnc5ccccc5n4)cc3)c([N+](=O)[O-])c2)cc1C 1820993 GIZKEJJOHRQDKO-UHFFFAOYSA-N 475.504 6.845 5 40 JKBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2C1CCCCC1 2256590 ILQOIUZGSBQOJK-UHFFFAOYSA-N 457.965 5.810 5 40 JKBB Cc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 2346927 JJKUXOPRYAFFFV-UHFFFAOYSA-N 451.917 5.294 5 40 JKBB CCCOc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c3ccccc3n2)c1 8456127 HBNMDWXAMLNQSC-UHFFFAOYSA-N 457.486 5.860 5 40 JKBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 8871104 QYOCLWRRCZIZPG-UHFFFAOYSA-N 465.944 5.602 5 40 JKBB Cc1ccc2[nH]c3c(cc(NCCCN4CCC[C@@H](C)C4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 8997295 MEILRLZNRGDGAO-LJQANCHMSA-N 481.596 5.783 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc(OC)c(OC)c2)c2nc(CCC)n3c4ccccc4nc3c12 9124134 CMPVRAITBLLLCS-UHFFFAOYSA-N 472.545 5.502 5 40 JKBB Cc1cc(C)c2nc3sc4c(SCC(=O)N5c6ccccc6C[C@@H]5C)ncnc4c3cc2c1 13086129 QUIYOVPKFNGURB-INIZCTEOSA-N 470.623 6.079 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1)N1CCCC1 44088041 WHABTUUKGKCYHK-UHFFFAOYSA-N 492.479 5.061 5 40 JKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 408568186 HVUICMQTNLFVAX-NRFANRHFSA-N 485.367 6.861 5 40 JKBB Cc1ccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)o2)c([N+](=O)[O-])c1 408634639 SYHFRSCKOSIANQ-ODLFYWEKSA-N 483.889 6.084 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8900071 RSOJJCYMIVSTHW-UHFFFAOYSA-N 478.892 5.145 5 40 JKBB C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 12559670 KJKUYBGNIYPVRF-LMSSTIIKSA-N 461.521 6.678 5 40 JKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 14272372 NSOVLDGUIIINRK-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 24522292 WDFNJVBFMBJSSU-UHFFFAOYSA-N 496.910 6.903 5 40 JKBB COc1ccc([C@@H]2S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2Nc2nc3ccccc3s2)cc1 32597630 LSLKQMRSFGRNGQ-CVGPFBNFSA-N 490.566 5.855 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 37073937 CRYDTGWOULSLPD-WFCXHVSVSA-N 460.961 7.124 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 214637938 MXQXJCWKINPWSN-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223998011 DQBUQQFDGTZMDF-DQEYMECFSA-N 499.552 5.385 5 40 JKBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 408567097 GLIUQOHHJMPGKL-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3cccc(C)c3)cc2)cc1 408569578 JQUJYZCNCZMYMB-RUZDIDTESA-N 474.586 5.882 5 40 JKBB Cc1ccccc1OCc1nn(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(=S)o1 409155732 MJJLUTLVWWALPI-UHFFFAOYSA-N 497.558 5.072 5 40 JKBB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1 409197827 PREIFEGVCYRSPF-IZHYLOQSSA-N 474.498 5.287 5 40 JKBB CCCCCN(CCCCC)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1 1592060 JEVXMVOSLSJJOF-UHFFFAOYSA-N 468.479 8.011 5 40 JKBB O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1-c1ccc([N+](=O)[O-])cc1)CCS2 2720097 YZVIAVMPXUJRTI-UHFFFAOYSA-N 466.371 5.388 5 40 JKBB O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3421575 MDXGILUMQCXJDQ-UHFFFAOYSA-N 494.887 5.274 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)cc1[N+](=O)[O-] 4149968 WKKKGJUCLKKDOW-UHFFFAOYSA-N 478.526 5.759 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc3ccccc23)cc1/C=C\c1cccc2ccccc12 5080560 RGHATJSZJXJOTP-IQRFGFHNSA-N 472.500 8.150 5 40 JKBB Cn1c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)nc2cc([N+](=O)[O-])ccc21 8387176 YUTLZLVJYMHYQO-UHFFFAOYSA-N 483.551 6.759 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 8832440 VUZIFDJMVTZAQT-ZDUSSCGKSA-N 467.547 5.419 5 40 JKBB C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 12559673 KJKUYBGNIYPVRF-XRKRLSELSA-N 461.521 6.678 5 40 JKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12855090 ZBRUIXAGNANHBL-UHFFFAOYSA-N 462.472 5.456 5 40 JKBB COc1ccccc1NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@H](C)C2 13382081 RNKPBNHYRZASQB-ZDUSSCGKSA-N 499.976 5.948 5 40 JKBB COc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1 27563708 JZWOVKKPONTVHL-DHZHZOJOSA-N 497.345 5.905 5 40 JKBB COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1 59463639 MGKDLAWSTMOXRP-UHFFFAOYSA-N 459.527 6.263 5 40 JKBB Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 408543160 MTKLWXBSXJQAPY-XBXARRHUSA-N 460.240 5.311 5 40 JKBB CCc1nc(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O)n[nH]1 408631200 GALPUWNHTXQQKC-RZNTYIFUSA-N 455.279 5.060 5 40 JKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1 2415582 JZAYZLPMAQKKLE-CQSZACIVSA-N 476.378 5.634 5 40 JKBB C[C@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3297515 ZCMRRPHTCNJONO-INIZCTEOSA-N 460.442 5.104 5 40 JKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Br)cc2)o1 9906333 BMUDLHDBPSFPEK-UHFFFAOYSA-N 470.304 5.993 5 40 JKBB CCOc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c([N+](=O)[O-])cc1OC 10235877 JYUDNEZNIYFNMO-UHFFFAOYSA-N 475.954 5.285 5 40 JKBB CCOc1ccc(N=P(c2ccc(C)o2)(N2CCCCCC2)N2CCCCCC2)c([N+](=O)[O-])c1 12491785 VFBUGOWWWTXMMO-UHFFFAOYSA-N 488.569 6.635 5 40 JKBB O=[N+]([O-])c1ccc(C2=N[N+](=C3C=CC(=C4Sc5ccccc5S4)C=C3)[C@@H](c3ccccc3)C2)cc1 13739144 LQUJGRXERAXGBC-RUZDIDTESA-N 494.621 7.133 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)o1 16215052 BZROJLCYPDRAQC-UHFFFAOYSA-N 456.414 5.319 5 40 JKBB COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccc(F)cc1 16228223 PUDXBIWRFQCGKT-UHFFFAOYSA-N 459.905 5.177 5 40 JKBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 16741867 SPTAWDNTEFYNHN-OAQYLSRUSA-N 491.297 5.209 5 40 JKBB CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 20411816 FFIZMZTYHDREEN-FMIVXFBMSA-N 477.498 5.682 5 40 JKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 27520289 FEPHWYHOXQZNME-UHFFFAOYSA-N 481.508 7.213 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1C 32116420 BKDJDNJMVALHNI-YRNVUSSQSA-N 472.526 5.546 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 112255353 CFONSXBLQKZZEQ-ALMNYQQGSA-N 490.559 5.944 5 40 JKBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223499284 OBVJXRAMKRIPEK-LJQANCHMSA-N 480.392 5.166 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C 224278521 COODTFVAJXJTDQ-LOSJGSFVSA-N 469.570 5.574 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 408558826 WJFPJHYSQWSNNF-UHFFFAOYSA-N 477.742 6.210 5 40 JKBB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@@H]2C1 408675476 AWGNSTPVQPUERU-LOSJGSFVSA-N 481.508 5.360 5 40 JKBB COc1ccc(-c2ccc(/C=C3\S[C](Nc4cc(Cl)ccc4C)NC3=O)o2)c([N+](=O)[O-])c1 408797329 CKEHJSIENMOTKW-UHFFFAOYSA-N 470.914 5.588 5 40 JKBB Cc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)c(C)c1 409016907 BEQYKWKKTGUEOJ-UHFFFAOYSA-N 473.532 7.346 5 40 JKBB O=C(Nc1ccc(O)cc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409079267 FESNPQVZJOHDBM-UHFFFAOYSA-N 461.477 6.435 5 40 JKBB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)c([N+](=O)[O-])c1 1873552 PIKLTKMEGUWNJO-UHFFFAOYSA-N 465.897 5.207 5 40 JKBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2c1 8903254 HVIVNEGAHXWFDV-UHFFFAOYSA-N 495.513 5.682 5 40 JKBB O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 9216541 IXAACJQPADAAQK-GOSISDBHSA-N 456.321 5.410 5 40 JKBB C[C@@H](OC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC1CCCC1 16043816 BOOCCHFFCFEPFR-CYBMUJFWSA-N 482.480 5.369 5 40 JKBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 20611233 CVGAAMHJWXAPGY-UHFFFAOYSA-N 497.511 5.720 5 40 JKBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224200706 BLUPERNEULZNNU-XMMPIXPASA-N 483.634 5.003 5 40 JKBB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 225352747 AQUOMLPFICGHDD-FTJBHMTQSA-N 499.596 5.745 5 40 JKBB COc1ccc(CCn2c(-c3ccccc3Cl)nc3oc4ccccc4c(=O)c3c2=O)cc1OC 2242014 YPOBERBPMFWVNR-UHFFFAOYSA-N 488.927 5.083 5 40 JKBB CCCCc1ccc(-n2cc(OC(=O)CCC)c3c2nc(CCC)n2c4ccccc4nc32)cc1 2439275 JKBBSEUQTLPZLX-UHFFFAOYSA-N 468.601 6.827 5 40 JKBB COc1cc(-c2nc3sc4ccccc4c(=O)c3c3nc4ccccc4n23)cc(OC)c1OC 9002147 BIKVMRUGFKOXJF-UHFFFAOYSA-N 469.522 5.303 5 40 JKBB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1 9422005 KNMOTSNWKJWAOG-UHFFFAOYSA-N 472.501 5.578 5 40 JKBB Cc1cc(C)c2nc3sc4c(SCC(=O)Nc5nc6c(s5)CCCC6)ncnc4c3cc2c1 13086146 BLPRWAJFASAEPA-UHFFFAOYSA-N 491.667 6.076 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)c(C)c1 14272816 WINPHRFCWNZJPM-UHFFFAOYSA-N 472.549 5.352 5 40 JKBB CCOc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 16788736 VWJZMPKFVDJSJW-UHFFFAOYSA-N 460.515 5.216 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 27016213 JQHYVJYPMPWWLJ-UHFFFAOYSA-N 478.917 5.876 5 40 JKBB O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccccc1F 95676426 FRDAHGRSPGGDGW-UHFFFAOYSA-N 452.310 5.028 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1 214256188 QSVHROBDCFNQSG-VXLYETTFSA-N 458.854 5.884 5 40 JKBB COc1ccc(OC[C@@H](O)C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CCC(C)CC2)c(C(C)(C)C)c1 226071393 KIIOGSWWJJBNPS-OTQLNIJOSA-N 471.618 5.088 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 409146144 JVIXQUVMLLUJQH-JJIBRWJFSA-N 474.538 5.843 5 40 JKBB CCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)Nc1ccccc1-2 2093173 WBXRKCPKVRMARF-OAQYLSRUSA-N 461.503 5.712 5 40 JKBB O=C1/C(=C/Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1ccccc1Cl 3273768 BFSMAJQIPRYOLT-FOWTUZBSSA-N 454.269 5.542 5 40 JKBB CCCCCCN(CCCCCC)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1 4428569 FIZUOZHXUSLCGE-UHFFFAOYSA-N 482.506 8.401 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 6166548 QIOODCBSHGKEBI-UHFFFAOYSA-N 469.910 5.044 5 40 JKBB O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccc([N+](=O)[O-])cc1Cl 9353500 OGQUGEZNLOKCCD-KPKJPENVSA-N 482.721 5.880 5 40 JKBB Cc1cccc2oc3cc(NCCN4CCC[C@H](C)C4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9375473 IQCOMGYCKAIWGZ-KRWDZBQOSA-N 467.569 5.393 5 40 JKBB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 9553684 ARKVFMDAGXQNMH-HSZRJFAPSA-N 459.498 5.193 5 40 JKBB C[C@@]1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 13896869 XTVFVZDEWCQZJA-LJAQVGFWSA-N 461.521 6.682 5 40 JKBB O=C(CN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 15998065 GUZHCCJRRRUDMS-UHFFFAOYSA-N 481.814 5.141 5 40 JKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 16347321 QLGYDZPYGYMKRC-FYWRMAATSA-N 481.533 7.092 5 40 JKBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 31767646 JTDVQGDIWIUSGY-UHFFFAOYSA-N 456.502 5.006 5 40 JKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(F)c1 59463612 AJEOOUHLZGEEOK-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)cc4[N+](=O)[O-])C(=O)[C@H]32)c2ccc(C)cc2)cc1 112254922 YDEAGMMRJKCARD-JQDNXDNNSA-N 490.559 5.944 5 40 JKBB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 223782738 OPUCXQPATCPDGN-ZEQRLZLVSA-N 472.526 5.436 5 40 JKBB Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O 408755316 DIKHRRCJOFHJMU-UHFFFAOYSA-N 457.873 6.254 5 40 JKBB CC(C)(C)c1ccc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 12617306 PTUWPJDZIYURDB-QFIPXVFZSA-N 466.921 6.083 5 40 JKBB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 12659825 HBBIOXVENMAPHX-UHFFFAOYSA-N 483.937 5.353 5 40 JKBB Cc1cccc(OCc2ccc(-c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)o2)c1 13644121 VIQDZIDBAGUSLZ-UHFFFAOYSA-N 495.486 6.362 5 40 JKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccc([N+](=O)[O-])cc1 19894540 BILXEGABXNKSSJ-UHFFFAOYSA-N 477.545 7.305 5 40 JKBB CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 20671730 PTUJDQNVHLGOCR-LJQANCHMSA-N 473.558 5.361 5 40 JKBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 59179555 IDTWVRZULOCBJF-UHFFFAOYSA-N 456.524 5.028 5 40 JKBB O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1 224761750 LHQTXIFVRSNUAU-GOTSBHOMSA-N 473.583 5.646 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 226333902 CRYDTGWOULSLPD-GFZKRGNVSA-N 460.961 7.124 5 40 JKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408540976 AIIGUDOKTYXXKI-YVMONPNESA-N 456.367 5.069 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408632348 DQICDEBRTNXZSG-WQRHYEAKSA-N 469.862 5.776 5 40 JKBB O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O 408755287 DBTLUVNAROSSIT-UHFFFAOYSA-N 459.845 5.651 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 408995824 NQDFIDJIZHUOCQ-UHFFFAOYSA-N 452.422 5.222 5 40 JKBB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 409198673 CTCMOWUJTWBHAM-RWEWTDSWSA-N 484.364 6.377 5 40 JKBB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409264056 JLPMFTGGTOMYOR-UHFFFAOYSA-N 477.498 5.079 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@H]([C@@H](c1ccccc1[N+](=O)[O-])N1CCCCC1)N1CCCCC1 1578750 ONCGYVZSXREYSS-RPWUZVMVSA-N 455.986 5.513 5 40 JKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)N1C(=N2)C(O)=Nc2ccccc21 2362997 UNPMOTMVOIBGCM-QFIPXVFZSA-N 450.458 5.330 5 40 JKBB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 5949411 YQXCVHQGDSBBJU-UHFFFAOYSA-N 478.555 5.397 5 40 JKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1c(C)cc(Br)cc1Br 8443233 QNMBBSRHVVRTDK-UHFFFAOYSA-N 492.551 5.408 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC[C@H](C)C3 8974206 JXEQEMMVMRJPBK-AWEZNQCLSA-N 450.516 5.728 5 40 JKBB O=C(CSc1nc(-c2ccccc2)nc2c1ccc1ccccc12)Nc1ccc([N+](=O)[O-])cc1 9057298 PVFURVIFXALSCT-UHFFFAOYSA-N 466.522 6.089 5 40 JKBB COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 9233006 ARQXZLCSJSKLNP-HMAPJEAMSA-N 490.493 5.059 5 40 JKBB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 9570932 UFTITDHAEBJGHD-UHFFFAOYSA-N 497.939 5.290 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 10010619 QQZCJRLWNAHHMP-VQHVLOKHSA-N 466.431 5.033 5 40 JKBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 20797530 APVMKIKASJYTHD-QFIPXVFZSA-N 459.893 5.526 5 40 JKBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC 25390841 BLDDJOLQOIASCA-RVDMUPIBSA-N 485.496 5.221 5 40 JKBB COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OC 35104033 KIPIZEKGYMXBMO-HKWRFOASSA-N 496.519 6.004 5 40 JKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 101366392 NZODQMUYGVKPCO-UHFFFAOYSA-N 471.321 6.396 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 106680226 JXFUSABGEGGGOX-XKZIYDEJSA-N 490.493 5.059 5 40 JKBB CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1Cl 408573463 SYDLNWKVXKDNED-KRWDZBQOSA-N 453.351 5.391 5 40 JKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12 408610728 RWVWSVHDAXXGJM-UHFFFAOYSA-N 493.357 6.710 5 40 JKBB O=C(CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1)c1ccccc1 408750356 LTGFOUSONAPWGE-UHFFFAOYSA-N 493.522 5.130 5 40 JKBB CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(OCC)cc3)c(=O)c2c1C 409113066 HWHOXHFFNAENJO-UHFFFAOYSA-N 495.626 6.307 5 40 JKBB COc1cc(CNc2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409184094 WTCTXNIBOBNQBF-UHFFFAOYSA-N 452.816 6.680 5 40 JKBB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409203964 AHDJTPWJWBSJNG-UHFFFAOYSA-N 467.736 6.755 5 40 JKBB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 409231638 DPWZEPFGECKCCI-UDWIEESQSA-N 497.429 5.807 5 40 JKBB COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 8816202 LQPCQMLMYCOWBG-UHFFFAOYSA-N 460.515 5.187 5 40 JKBB CCCCC(=O)Oc1cn(C2CCCCCC2)c2nc(CCCC)n3c4ccccc4nc3c12 9243090 CZHBVVKZNPPFEF-UHFFFAOYSA-N 460.622 7.171 5 40 JKBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCC(N3CCCC3)CC2)ccc1[N+](=O)[O-] 20437017 XNTABJZGBWCIKU-UHFFFAOYSA-N 495.583 5.026 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 224287186 QGKVLXLVJCSINW-RPBOFIJWSA-N 470.554 6.044 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224881312 KMORXUVTJRITEM-PKTZIBPZSA-N 492.944 5.786 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)ccc1F 226862934 VACHVKCBOSZGAD-UHFFFAOYSA-N 457.266 5.634 5 40 JKBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2Cl)cc1 408681692 IFFIVFIJTNOMKB-QFIPXVFZSA-N 478.353 5.998 5 40 JKBB CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2234805 MWWGDWRPZQSKEP-UHFFFAOYSA-N 483.572 5.214 5 40 JKBB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2cccc(Cl)c2)c1 6442744 QFMFRHIVOCVUQA-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB O=C(CSc1nnc(-c2cccc3ccccc23)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474723 JJGUFDIQOPIMCO-UHFFFAOYSA-N 481.537 5.727 5 40 JKBB CCC1=NN(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)c2ccccc21 9428224 ZESFWAGXSZEGDL-RUZDIDTESA-N 471.542 5.495 5 40 JKBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nc(-c2ccc(I)cc2)cs1 9434079 CYMKDKNUIITBRZ-FNORWQNLSA-N 483.312 5.036 5 40 JKBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(Cl)cc1Cl 9848207 GIHMSLOKBUALFR-UHFFFAOYSA-N 466.350 5.219 5 40 JKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16347623 UVTCTWFDHRTGPQ-UHFFFAOYSA-N 481.508 7.347 5 40 JKBB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc([N+](=O)[O-])c3C)o2)cc1Cl 22537808 GQUQDLGQZGRNLR-PKNBQFBNSA-N 455.923 5.651 5 40 JKBB COc1ccc(-c2nc3c(sc4nc(C)cc(C)c43)c3c2c(=O)oc2cc4c(cc23)CCC4)cc1 32634067 BYVQCWLTXAJAGE-UHFFFAOYSA-N 478.573 6.885 5 40 JKBB biogenic O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 33670939 SWTNRWVKVVHCTI-QCOUUILKSA-N 479.583 5.920 5 40 JKBB CCCCn1c2cc3c(=O)c4c(C)cc(C)cc4n(CCCC)c3cc2c(=O)c2c(C)cc(C)cc21 87489388 RVSPZYKDKQUWTO-UHFFFAOYSA-N 480.652 7.457 5 40 JKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)cc3)cc2)cc1 408569968 KKLGJCCBMMPVDW-RUZDIDTESA-N 474.586 5.882 5 40 JKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)S2)cc1 408779421 DTSDRJJFDZUDSW-QCHPHUCNSA-N 451.504 5.025 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1cccc2ccccc12 409354164 ZHNLQMXLIAOYTE-WPWMEQJKSA-N 488.568 6.821 5 40 JKBB CCc1nc2c(c(=O)n1[C@H](C)c1ccccc1)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2240437 XSMLHLKIBAIOOF-HXUWFJFHSA-N 473.580 6.072 5 40 JKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC 2427311 RCTQQDDBWYLSIG-UHFFFAOYSA-N 455.562 5.240 5 40 JKBB CCCCCCN(CCCCCC)[C@H](C)[C@@H](O)c1cc(C)c2ccc3cc(C(C)C)ccc3c2c1 4416733 HYENTMFFSJYOKN-UTONBFNKSA-N 475.761 9.309 5 40 JKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 12696293 IOVAMBXOZZUVMD-UHFFFAOYSA-N 462.424 5.513 5 40 JKBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)[C@H]1CCC 16995824 MXUQDSQHKAZUFL-GJZUVCINSA-N 494.548 5.044 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)o1 20151024 JLWIIPXEANDAFQ-QPJJXVBHSA-N 461.257 5.820 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 20975366 MGRJFCIIUKVRAM-UHFFFAOYSA-N 455.426 5.924 5 40 JKBB O=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408573392 DRDAAEJFFKLNRL-KOEQRZSOSA-N 478.508 5.099 5 40 JKBB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])o1 409019997 YOCPFGFGUIRXSJ-SNVBAGLBSA-N 469.306 5.155 5 40 JKBB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)C=Cc2ccccc21 3290140 CECWYTLINZQJRY-VWLOTQADSA-N 467.916 6.409 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3n2)cc1OC 9668611 LJMFWLUZAXZSSL-UHFFFAOYSA-N 458.396 5.340 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] 20104276 MBSHKHGISOECPR-UHFFFAOYSA-N 467.547 5.254 5 40 JKBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1 408571070 NFSNIXCRVKLVET-XMMPIXPASA-N 494.548 5.413 5 40 JKBB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 2105954 OFFNGASDRBRMOD-MZNJEOGPSA-N 459.498 5.193 5 40 JKBB biogenic Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 2335629 IXSKNWKWUFRRBE-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3cc(C)ccc3n2)cc1 2340610 LSYBBXALPXJRBR-UHFFFAOYSA-N 456.454 5.167 5 40 JKBB Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 2451403 MGZANWVJIRXDOS-XMMPIXPASA-N 456.527 5.531 5 40 JKBB COc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 8705597 WNFVCJLLRODVKU-GRSHGNNSSA-N 476.938 5.528 5 40 JKBB O=[N+]([O-])c1ccc(Oc2s/c(=N\c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 8853649 OGMAMZFIIOWSMT-DQSJHHFOSA-N 465.534 7.139 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 9948559 CTDAXJOSZVXNHX-UHFFFAOYSA-N 497.342 5.406 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)ccc3o2)cc1Cl 10372890 GTHXVJQXDQAKII-UHFFFAOYSA-N 491.931 6.516 5 40 JKBB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12844615 HINHXKDKGSJSKQ-NSHDSACASA-N 482.871 5.843 5 40 JKBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nc2ccccc2cc1CC 13503551 LFQDDYGPLIHJSK-UHFFFAOYSA-N 455.536 5.234 5 40 JKBB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 32116603 VRUFWJCGSRJUDY-UHFFFAOYSA-N 482.084 5.338 5 40 JKBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 106688128 AVSHVNDSXVPQAX-MOSHPQCFSA-N 463.471 5.027 5 40 JKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 214602480 KTHPTFGGUIBVDE-WSDLNYQXSA-N 491.481 5.840 5 40 JKBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225588243 RCRKJJIJMDNVNW-HTAPYJJXSA-N 492.041 5.204 5 40 JKBB Cc1ccccc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409018893 WMABPQYUFWRZFT-UHFFFAOYSA-N 459.505 7.038 5 40 JKBB CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 409112053 AQMWFIFBCWNMLN-MOSHPQCFSA-N 479.330 5.843 5 40 JKBB Cc1ccc(NCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409173967 QLMNCXPBEWTFCS-MUUNZHRXSA-N 480.520 6.296 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 409209123 HFSVYIKGANJEDV-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1Cl 2411968 XKAUEKLPJQBIHN-UHFFFAOYSA-N 461.953 5.300 5 40 JKBB COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 2421607 BLDVGXKVMPKCRM-UHFFFAOYSA-N 471.387 5.975 5 40 JKBB biogenic Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1 6280085 PSMAENPKGZSKCW-UHFFFAOYSA-N 479.949 5.535 5 40 JKBB CCc1nc2c(c(=O)n1[C@@H](C)CC)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1 8836065 LKASKOAUBTYCKL-KRWDZBQOSA-N 485.588 5.088 5 40 JKBB O=c1c2ccccc2c(=O)c2c1c(NCc1ccccc1)cc1oc3cc(Cl)ccc3[nH]c12 9186674 FDGMMKYTKFVJKX-UHFFFAOYSA-N 452.897 6.206 5 40 JKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1 10060367 XSBOXBSDUWJRTP-FCHUYYIVSA-N 459.893 5.221 5 40 JKBB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cc(Cl)ccc1[N+](=O)[O-] 11617448 XSOYESZULHLWKH-UHFFFAOYSA-N 469.975 6.718 5 40 JKBB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 20610298 WGXCFKVMOLKSBU-UHFFFAOYSA-N 483.484 5.548 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 33380667 GYRMNZPOWQKWLV-XKZIYDEJSA-N 464.474 5.549 5 40 JKBB O=C(O)/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408635005 WKMWTLIEIDRJCY-PDGQHHTCSA-N 467.894 5.042 5 40 JKBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1[N+](=O)[O-] 408644865 TWGQXJGVWOYAAT-MRXNPFEDSA-N 465.893 5.341 5 40 JKBB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 408683714 NNVLQPYOYUJBHJ-ISKFKSNPSA-N 481.508 5.360 5 40 JKBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1 408736411 BTICZRKZHFLEEZ-SANMLTNESA-N 479.536 5.093 5 40 JKBB O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccccc1Cl 409063722 BLWKUGNKDVOXKS-QRVIBDJDSA-N 489.940 6.492 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409199928 FTQAGFOAXAHSEX-KGENOOAVSA-N 450.472 5.142 5 40 JKBB CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccc(C(=O)O)cc3C(=O)O)c-2cc1C 1570003641 ZFBOEZNDLBKASV-IADYIPOJSA-N 458.514 5.570 5 40 JKBB O=c1c2c3c(sc2nc(SCc2c[nH]c4cc([N+](=O)[O-])ccc24)n1-c1ccccc1)CCCC3 2189936 PVTCWRGSCMYAKJ-UHFFFAOYSA-N 488.594 6.008 5 40 JKBB O=C(Nc1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(F)ccc([N+](=O)[O-])c1F 2380608 SDIIGGNNKRIOIT-UHFFFAOYSA-N 499.373 6.204 5 40 JKBB COc1ccc([C@H]2C3=C(N=C4SC=C(c5ccc([N+](=O)[O-])cc5)N42)c2ccccc2CC3)cc1 8970878 JFDNFXWJCRKMLA-SANMLTNESA-N 467.550 6.419 5 40 JKBB CSc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)COC(C)(C)C3 9317747 BBOMWEZHRRQKEL-UHFFFAOYSA-N 461.590 5.148 5 40 JKBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1Cl 9848753 IIQZDVQGPUFMDV-UHFFFAOYSA-N 486.768 5.564 5 40 JKBB COc1ccc(/C=C2/CN(C)C[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 105972898 WGMNVNHAENLSHC-HOKPPIHVSA-N 484.556 5.175 5 40 JKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728336 JPLJGDZTIVGXMS-UUASQNMZSA-N 454.247 5.046 5 40 JKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2Cl)cc1 408681691 IFFIVFIJTNOMKB-JOCHJYFZSA-N 478.353 5.998 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703422 FVDIMBKMJCHBME-DEOSSOPVSA-N 497.960 5.283 5 40 JKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 409179121 NHCZHYWKBUWITG-HHHXNRCGSA-N 467.477 5.955 5 40 JKBB COc1cc(C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1072397 YCMHZZHPDZDHNO-UHFFFAOYSA-N 450.344 5.806 5 40 JKBB COc1c2c(cc3c1[C@@H](CC(=O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[N+](C)(C)CC3)OCO2 1280062 FALHEEPRKTYOPJ-FDDCHVKYSA-N 478.653 5.884 5 40 JKBB biogenic CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 8722231 PNUOHZZYYZHDBV-MDBUFAAASA-N 476.938 5.671 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 9142348 DUTMQUSGYKJSII-UHFFFAOYSA-N 470.721 5.942 5 40 JKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 13940429 LBYINOQZSAXNKO-XIQJAZNISA-N 471.944 6.685 5 40 JKBB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728416 OGKBRKNRYAKWPT-WQRHYEAKSA-N 472.931 6.229 5 40 JKBB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCCC3)cc2)C1 225537213 MKSUAUWGOCWRGV-FGZHOGPDSA-N 479.621 5.792 5 40 JKBB Cc1ccccc1N1C(=O)c2cccc3c(-c4cccc(C(=O)O)c4)c([N+](=O)[O-])cc(c23)C1=O 408998930 JKQORZPMCSVRJH-UHFFFAOYSA-N 452.422 5.222 5 40 JKBB COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1[N+](=O)[O-] 409169237 VZYMRMNIMVZGNA-MUUNZHRXSA-N 479.536 6.278 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 409267574 OCJTWFRGNPRFAM-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB O=C(c1ccccc1)c1ccc(N2CCc3sccc3[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 1616042403 WIZFIXUQYMQVAU-RUZDIDTESA-N 474.969 6.693 5 40 JKBB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C 898911 OOPYBSLCDAZIRL-DFBJGRDBSA-N 457.530 5.908 5 40 JKBB CCCOC(=O)c1c(-c2ccc([C@@H](C)CC)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2089642 XOTHBVKFAXMRSH-INIZCTEOSA-N 466.559 6.656 5 40 JKBB Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(C)c(Cl)c2)cc1 2251257 MNTDSKHVCWOUOD-UHFFFAOYSA-N 479.971 5.911 5 40 JKBB CC(C)CCOc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 2668010 JCOHAOAZKOIDBF-UHFFFAOYSA-N 474.402 6.973 5 40 JKBB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 9578210 HAVUGFLTXVFOGS-UHFFFAOYSA-N 481.534 5.354 5 40 JKBB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 10119753 CKFUSZABKRTHEX-UHFFFAOYSA-N 466.291 5.980 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)oc2c1CC[C@@H](C)C2 11689790 NWNVDJJWNYKUGU-CYBMUJFWSA-N 468.462 5.010 5 40 JKBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 13937380 BABVNMZOOWVLHU-UHFFFAOYSA-N 497.385 5.511 5 40 JKBB Cc1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2s1 21146971 RIPAAALGFCJOJP-UHFFFAOYSA-N 486.597 6.669 5 40 JKBB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 22743997 NTAGSWXHNHMZJV-UHFFFAOYSA-N 486.528 5.615 5 40 JKBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 215114522 AEJKXRYMIATSRV-KEBDBYFISA-N 488.880 5.892 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224248105 CWLMVSGLKKBFSB-DNQXCXABSA-N 456.527 5.735 5 40 JKBB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 224287470 CMSHGVYFKWFLKV-JWQCQUIFSA-N 470.554 6.044 5 40 JKBB CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1Cl 408573464 SYDLNWKVXKDNED-QGZVFWFLSA-N 453.351 5.391 5 40 JKBB CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl 408573675 UAXQGXIQIDQPJF-GOSISDBHSA-N 467.378 5.700 5 40 JKBB Cc1ccc(-c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408835726 ZDTQVGYBGUWRBG-UHFFFAOYSA-N 491.572 7.613 5 40 JKBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409175506 RYZZZMFUGKUBTC-RGVLZGJSSA-N 497.916 5.492 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409357129 IZNXUBFIWXCVBW-RQZCQDPDSA-N 468.409 5.471 5 40 JKBB O=C(CCN1c2ccccc2Sc2ccccc21)OCc1cc([N+](=O)[O-])cc2c1OCOC2 2658921 OYQGUBIZAFETMZ-UHFFFAOYSA-N 464.499 5.198 5 40 JKBB CC(C)c1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)cc1 8450838 KUCBUOAYMLQDEY-UHFFFAOYSA-N 480.568 5.896 5 40 JKBB O=C(NCc1ccccc1Cn1cccn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 11742116 OSUKJLOMEKJWTE-UHFFFAOYSA-N 462.893 5.215 5 40 JKBB Cc1c(C(=O)NC/C(=C\c2ccccc2Cl)c2nc(-c3ccccc3)cs2)cccc1[N+](=O)[O-] 12372504 OLIWILSZVMGSRL-XSFVSMFZSA-N 489.984 6.651 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 14269794 DLGULRYVMIFYIL-JXMROGBWSA-N 462.314 5.688 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1 408559870 WVYURTXYCLFPMT-UHFFFAOYSA-N 475.314 6.086 5 40 JKBB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 409197385 DHQBENKUYGESKQ-FLWNBWAVSA-N 491.572 6.737 5 40 JKBB CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C 1771128 PYTSDODCSZRKGK-RBISFHTESA-N 499.611 7.079 5 40 JKBB O=[N+]([O-])c1ccc(Oc2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)cc1 1777887 FJMCQMFFKKSWGP-UHFFFAOYSA-N 456.683 6.413 5 40 JKBB CC1=CC(C)(C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc21 2255672 LEFXMRMBWVUEIA-UHFFFAOYSA-N 487.468 5.565 5 40 JKBB CCCn1c(=O)c2ccccc2n2c(SCc3cc(=O)oc4ccc5ccccc5c34)nnc12 3375475 LHOHNDVZIVBQOU-UHFFFAOYSA-N 468.538 5.006 5 40 JKBB O=c1c2cc(Br)ccc2oc2nc(-c3ccc(F)cc3)n(CCc3ccccc3)c(=O)c12 9327807 BFQYNSFOFCKYBG-UHFFFAOYSA-N 491.316 5.314 5 40 JKBB COc1cc(C)c(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)cc1OC 9666727 NFKKAPZTEACXQP-UHFFFAOYSA-N 472.881 5.627 5 40 JKBB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9908426 OXJUFIVIZUFVNE-CQSZACIVSA-N 464.934 5.978 5 40 JKBB O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215245616 JQWRLAHUXLDIFN-XQNSMLJCSA-N 476.510 5.289 5 40 JKBB O=[N+]([O-])C[C@@H](c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1c[nH]c2ccccc12 408572406 RBUWDHRBDPTXAQ-SFHVURJKSA-N 459.304 6.601 5 40 JKBB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1Cl 409137430 XFQKNPQYUUAWLM-UHFFFAOYSA-N 451.737 7.055 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccccc2)nc2ccccc12 409182138 IGKHJFGGYUOTMJ-UHFFFAOYSA-N 476.488 6.959 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc(Cl)cc3)c2ncn1CCc1ccccc1 2301077 BLQFHELWIQYLEE-UHFFFAOYSA-N 465.944 5.239 5 40 JKBB O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(Br)cc1 3316328 YNHFHWUTTWYPOV-IBGZPJMESA-N 489.709 5.548 5 40 JKBB CCCCN1C(=O)c2c(Oc3cccc(NC(C)=O)c3)cc([N+](=O)[O-])cc2Oc2ccccc21 3619088 UWYVNMWXIYBSBP-UHFFFAOYSA-N 461.474 5.898 5 40 JKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)cnc32)cc1 8744324 LGZOEJJMEUWIGO-UHFFFAOYSA-N 465.944 5.548 5 40 JKBB CNc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 9664822 QELMAYJQQFAQAG-UHFFFAOYSA-N 485.327 5.604 5 40 JKBB O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13095484 JNEYSOKYLQEGEO-QGZVFWFLSA-N 490.528 6.732 5 40 JKBB COc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14272509 VADSMCMSEKTNJQ-VMPITWQZSA-N 460.309 5.141 5 40 JKBB Cc1ccc(N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)c2ccc(Cl)cc2Cl)cc1 16157835 STFDJNYQXPDOSR-UHFFFAOYSA-N 481.335 7.317 5 40 JKBB CC(=O)c1ccc(SCCCCCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 16321911 ADTIBKJIRAJPPK-UHFFFAOYSA-N 476.576 6.353 5 40 JKBB COc1ccc(-c2nc(C(=O)OCc3nc4ccccc4c4ccccc34)cs2)cc1OC 16556369 MOHTVOQCMGUBSC-UHFFFAOYSA-N 456.523 5.886 5 40 JKBB Cc1cc(SCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c(C)cc1Br 25390173 AYXSSEVUDCKFFK-UHFFFAOYSA-N 483.383 6.161 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccccc2)cc1 51330344 DJSUJOQACAFWHA-PDJLYPKISA-N 454.486 6.304 5 40 JKBB COc1ccc(-c2nnc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)s2)cc1 223241908 JIKPCHUMKOHVSV-RCCKNPSSSA-N 458.499 5.301 5 40 JKBB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 225482489 CICMZHYXPLLOCG-XSFVSMFZSA-N 462.918 5.946 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Br)cc1 408561542 JKBJPCJXITXQNX-XDOYNYLZSA-N 460.353 5.211 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 408728834 UXYMLCMGWWQXEY-YXVKNGOVSA-N 478.504 5.027 5 40 JKBB O=[N+]([O-])c1ccc(C=Cc2ccc(C=Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 2049238482 CDSARYSJQNNQEW-UHFFFAOYSA-N 462.374 5.660 5 40 JKBB O=C(CSc1ccc(SC(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 1794507 PVGCRUSWVPDSJG-UHFFFAOYSA-N 488.456 6.549 5 40 JKBB O=C(N[C@H](Cc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12)OCc1ccccc1 2105631 QSNKKGYNZZKYGH-AREMUKBSSA-N 493.515 5.389 5 40 JKBB biogenic Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1nnc(CC(C)C)s1)C3=O 2406738 ZKKHYCUDIKDZHV-OAQYLSRUSA-N 490.541 5.118 5 40 JKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1nn(-c2ccccc2)c(=O)c2ccccc12 3355045 NQRDSVPOIZLYQC-UHFFFAOYSA-N 474.472 5.002 5 40 JKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)cc2Cl)o1 8832072 JFEQPQHQGNHSAO-UHFFFAOYSA-N 460.298 6.537 5 40 JKBB CC(C)C(=O)Oc1cn(-c2ccc(F)c(Cl)c2)c2nc(C(C)C)n3c4ccccc4nc3c12 9243146 FOFAASONTKVRQI-UHFFFAOYSA-N 464.928 6.304 5 40 JKBB COc1ccccc1C(=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21 9311087 NLQXTJKFWUHSTD-UHFFFAOYSA-N 478.939 6.617 5 40 JKBB O=C(CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)c1ccccc1 9461765 YFPKUJTZCVPHQQ-UHFFFAOYSA-N 493.617 6.018 5 40 JKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 10059815 JOMQRDYDSJCWSE-YADHBBJMSA-N 459.893 5.221 5 40 JKBB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1 10060376 SIRVFMMLQMZYMZ-DHIUTWEWSA-N 489.919 5.230 5 40 JKBB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 36007854 UHPPXIHCOSIWHP-KYVQNOJUSA-N 482.923 5.672 5 40 JKBB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 59463618 TYDWPPGJYNODDP-UHFFFAOYSA-N 480.889 6.199 5 40 JKBB O=C1/C(=C/Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1cccc(Cl)c1 103019344 LKVKZNCCEDBJFP-LDADJPATSA-N 454.269 5.542 5 40 JKBB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1 408634787 UOQXNUMVYDOMSU-UDWIEESQSA-N 483.958 6.494 5 40 JKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408674300 ZBHDNGKRGDDOMI-UHFFFAOYSA-N 453.454 5.892 5 40 JKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 409181682 FZFTVZTVWPPLRP-UHFFFAOYSA-N 466.537 7.215 5 40 JKBB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] 1795658 GIQZWFIVUZKNIR-UHFFFAOYSA-N 473.872 6.471 5 40 JKBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 9948860 YGGIHDLHANULNV-UHFFFAOYSA-N 477.240 6.085 5 40 JKBB CCc1ccc(C(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 12624710 DJWIXAGWHPKGMR-JTHBVZDNSA-N 471.542 5.058 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1C 32116511 SNMIZGZVNGPHAL-UHFFFAOYSA-N 491.485 5.055 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@@H](c3c[nH]c4ccc(COc5ccccc5)cc34)C(O)=C1N2 100134564 WGJXIOWPAXJFGE-DEOSSOPVSA-N 454.442 5.652 5 40 JKBB in-vitro CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223989941 GHVXCBOFWQEPBW-RPBOFIJWSA-N 499.552 5.385 5 40 JKBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224705217 YOWJHMOUJZKLMR-QFIPXVFZSA-N 492.041 5.061 5 40 JKBB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1OC 408545789 AELGRVOMGJUWCQ-UHFFFAOYSA-N 482.396 5.147 5 40 JKBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408571318 OHWKMVAITBQCJC-VIQOPKQKSA-N 498.366 5.141 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(F)cc1 408572159 QRWMJYUWOIGOKS-QHCPKHFHSA-N 498.967 6.057 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccc2c(c1)OCO2 1101103 KWNZGFJULOTEBL-ZMOGYAJESA-N 482.517 5.397 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c([N+](=O)[O-])c1 1411641 VJBFQPMSFKOLJR-ODCIPOBUSA-N 498.900 5.782 5 40 JKBB O=C(O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1719573 CGNQQFGZUXCJTK-UHFFFAOYSA-N 495.447 5.692 5 40 JKBB COc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c(C)cc1[N+](=O)[O-] 9544888 IBXSDYQJZRAANO-HNAYVOBHSA-N 496.593 5.047 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)cc1[N+](=O)[O-] 214792178 AWRQHWBHWAPSCV-KEBDBYFISA-N 489.336 6.707 5 40 JKBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCC 214988712 VEOLUISCDJLSFS-WOJGMQOQSA-N 462.911 5.282 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224185045 PENFXJBLQVLKAB-DNQXCXABSA-N 472.526 5.436 5 40 JKBB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)c(C)c1 408547688 LIRVBFYADBWESP-UHFFFAOYSA-N 473.938 5.227 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Br)cc1 408563668 WICLCUTUVAMLBV-LNVKXUELSA-N 474.380 5.601 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccccc1 408575372 WAWDPYUASPGRKP-QHCPKHFHSA-N 464.522 5.404 5 40 JKBB O=C(NCCSCc1ccccc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408906951 KZVNWDNNEAZQMU-CJLVFECKSA-N 452.963 5.838 5 40 JKBB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409136767 VGVIBNMODBWSSB-OEAKJJBVSA-N 482.558 5.799 5 40 JKBB C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2617270 KNLZGBZRTXXRQA-NSHDSACASA-N 483.600 5.331 5 40 JKBB O=[N+]([O-])C[C@H](c1cc(Cl)c2c(c1)OCO2)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2708499 ULUJTGBEYPBPTM-QGZVFWFLSA-N 455.297 6.279 5 40 JKBB O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc2ccccc2n1 3224047 NVXPWOWNJZNHCQ-JOCHJYFZSA-N 461.861 5.333 5 40 JKBB CCCC(=O)Oc1cn(CCc2ccc(Cl)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9292494 ZYISBMBNENLBAO-UHFFFAOYSA-N 474.992 6.391 5 40 JKBB Cc1csc(Sc2ccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc2[N+](=O)[O-])n1 9508368 ZZQSWCPGJSTIPE-HNNXBMFYSA-N 465.560 5.188 5 40 JKBB CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])cc3oc(-c4ccccc4)cc23)cc(OCC)c1OCC 12844940 RAPSFUWHAGWSDN-UHFFFAOYSA-N 490.512 6.456 5 40 JKBB Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])n1 13113244 ZSPHFEZNVBETJW-IOAHRDFVSA-N 486.615 5.842 5 40 JKBB O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34689718 OHENISPTIOXIMI-UHFFFAOYSA-N 492.538 5.295 5 40 JKBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 72230003 WZGSSNHIBAHZRR-QHCPKHFHSA-N 451.910 5.182 5 40 JKBB CC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccccc1 102500757 BMHJHKFLXMKPMF-DCFHFQCYSA-N 453.498 6.165 5 40 JKBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3c(F)cccc3Cl)C2=O)c(C)c1 102766473 XRNUNXKWWYCCAH-RJGXRXQPSA-N 495.894 5.055 5 40 JKBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561505 IZNZCTUYQRKMIR-GFMRDNFCSA-N 484.792 6.408 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1 408570891 MFBAXBVGPGHQMX-DEOSSOPVSA-N 494.548 5.413 5 40 JKBB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 408917357 RUHCBWIEXNIPLB-OEAKJJBVSA-N 460.511 5.719 5 40 JKBB COc1c2c(cc3c1[C@H](CC(=O)c1cc4c(cc1C)C(C)(C)[C@H](C)C4(C)C)[N+](C)(C)CC3)OCO2 1280060 FALHEEPRKTYOPJ-MBSDFSHPSA-N 478.653 5.884 5 40 JKBB biogenic C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)C1 1588815 XOSKWIQVQQMVBP-RYUDHWBXSA-N 493.796 6.014 5 40 JKBB in-vitro CCOc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3cccc(C)c3)s2)cc1 1786772 NNDICKNUUIWFFB-UHFFFAOYSA-N 474.542 6.421 5 40 JKBB CC(C)CCOc1ccc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 2197789 OFQMPFLHGRKPID-UHFFFAOYSA-N 474.402 6.973 5 40 JKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4Cl)c(C)nc32)c1 2246539 ZSSPDCVMXVQJFF-UHFFFAOYSA-N 479.971 5.856 5 40 JKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 15945203 SCHQUSPABOHNEB-LHSJRXKWSA-N 451.548 5.921 5 40 JKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])Sc3nnc(C)n3-c3ccc(C)c(C)c3)cc2)cc1 408572667 RRPYVYSGKWPKDB-AREMUKBSSA-N 488.613 6.190 5 40 JKBB O=C(Nc1ccccc1C(=O)N1[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 408686772 SUAMGBQQIMPRGO-FKCWEYQYSA-N 491.503 5.296 5 40 JKBB Cc1ccc(Cl)cc1NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 409088607 FWHNYJCWGYMLGX-UHFFFAOYSA-N 493.950 7.691 5 40 JKBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409238868 LUGDIUURIQGTLY-FYJGNVAPSA-N 493.903 5.323 5 40 JKBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)Nc1ccc(Cl)cc1 688800 YLUWAEQIRZCJJX-UHFFFAOYSA-N 465.922 5.227 5 40 JKBB O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1cccc([N+](=O)[O-])c1 725969 JPPUWMSXSRSVAE-UHFFFAOYSA-N 485.237 5.260 5 40 JKBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3c4ccccc4cc4ccccc34)C2=O)c1 980495 PNCTYNGMMPRYSW-IWIPYMOSSA-N 452.535 5.976 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc(C)c1-c1ccc(C)c(C)c1 2101516 BPZLCFQVGMFQOE-UHFFFAOYSA-N 469.475 5.196 5 40 JKBB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3244286 KXVNMBNZPXNLOJ-UHFFFAOYSA-N 494.813 5.201 5 40 JKBB O=[N+]([O-])c1c(/C=C/c2ccc(Br)cc2)nc(Nc2ccccc2)nc1Nc1ccccc1 6473750 MLTORSHZRPMGQF-DTQAZKPQSA-N 488.345 6.805 5 40 JKBB O=C(Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1)c1ccccc1 9464566 WOLOAJDQCGXHEL-UHFFFAOYSA-N 478.917 5.876 5 40 JKBB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9790216 AUCSGMBXWCMUEZ-CYBMUJFWSA-N 451.508 5.846 5 40 JKBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1OC 13003949 JNGHRRXUBVCGKO-UHFFFAOYSA-N 475.954 5.285 5 40 JKBB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 13141940 QFKYDIMXRLBFMI-UHFFFAOYSA-N 491.352 5.989 5 40 JKBB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 13150021 SPNRUFYUDJBNJL-UHFFFAOYSA-N 494.960 5.295 5 40 JKBB Cc1c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-] 14274569 FTPNLXHKSLUIQI-JXMROGBWSA-N 476.341 5.996 5 40 JKBB CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 19927867 AYELLGUDZBBFBY-UHFFFAOYSA-N 473.441 5.022 5 40 JKBB C[C@H]1CCC[C@@H](n2c(=O)c3ccc4c(=O)n([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c5ccc(c2=O)c3c45)[C@H]1C 36019149 AASLOMJBKLCZLF-CCXHWNHHSA-N 486.612 5.060 5 40 JKBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 57313610 DLHXXQWMDQRASX-UHFFFAOYSA-N 452.319 6.107 5 40 JKBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 223406878 CFUVXHXCTQPFDQ-BJKOFHAPSA-N 456.527 5.423 5 40 JKBB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224213232 JJCBYBWLUWAYKA-BJKOFHAPSA-N 455.543 5.266 5 40 JKBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225588305 RCRKJJIJMDNVNW-JTSKRJEESA-N 492.041 5.204 5 40 JKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 408543698 QHNZZJLVJHKKLG-TWGQIWQCSA-N 493.741 6.455 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408556208 IJUKOFNIAYRZHX-UHFFFAOYSA-N 455.898 5.195 5 40 JKBB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633923 NKPYIKLAQMKRPQ-WQRHYEAKSA-N 469.862 5.776 5 40 JKBB O=[N+]([O-])c1cccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)c1 408975218 KOBFYFHCCZKPBV-UHFFFAOYSA-N 477.509 5.597 5 40 JKBB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12 1717024 CNGJUUUZGJBLCO-UHFFFAOYSA-N 467.524 7.764 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(CCC3=CCCCC3)c2ncn1Cc1ccccc1Cl 2245736 GMLCOBNUJUKZME-UHFFFAOYSA-N 469.976 5.887 5 40 JKBB CCCCCn1nc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c2ccccc2c1=O 9663276 KAJIWCXTZGIBNO-UHFFFAOYSA-N 468.509 5.203 5 40 JKBB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc12 9829705 ORAFBNZNVSDRCY-UHFFFAOYSA-N 454.895 5.109 5 40 JKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccc(COc4ccc([N+](=O)[O-])cc4)o3)nc12 13643655 SVLGKVAJRSTPMV-UHFFFAOYSA-N 472.486 5.251 5 40 JKBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 20410845 NCOFLCKVIWWQLC-UHFFFAOYSA-N 462.289 5.251 5 40 JKBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc2ccccc2o1 39772083 MZECYXNJPKDECZ-UHFFFAOYSA-N 485.481 5.364 5 40 JKBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1 100864377 HNYADDICHTXWIO-DEVGUOQJSA-N 480.611 5.884 5 40 JKBB O=[N+]([O-])c1ccccc1NCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 101375727 QKFHVYHQROAPEO-VYIQYICTSA-N 485.396 6.776 5 40 JKBB CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 408574523 VCGMNKCCNDWXSI-LJQANCHMSA-N 477.384 5.155 5 40 JKBB COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1 409180158 UQSAAWKXRLALSN-RUZDIDTESA-N 496.903 5.143 5 40 JKBB CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 1910214 KOFUYPCMQKBHGG-XMMPIXPASA-N 486.405 8.254 5 40 JKBB CCCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)cc1 2416691 UJTKEEOPBSLIEL-UHFFFAOYSA-N 483.572 5.287 5 40 JKBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)cc([N+](=O)[O-])c1 6143789 CWIMAESZFQOUNF-UHFFFAOYSA-N 491.261 5.215 5 40 JKBB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6245583 LMBSLCQOBCTYTQ-SFHVURJKSA-N 489.557 5.182 5 40 JKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 9892791 MLDBNWHYZAPOBW-UHFFFAOYSA-N 474.542 5.827 5 40 JKBB CCOc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3Cl)nc3ccccc3c2=O)cc1 13026933 WXQVFMMZVNEKRK-UHFFFAOYSA-N 453.907 5.497 5 40 JKBB C[C@H](S[C@H]1N=NC(c2ccccc2[N+](=O)[O-])=N1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 16322388 WQBJTRFJCDYPBT-WNWIJWBNSA-N 472.741 5.811 5 40 JKBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)nc2c1 22562632 YLNNLCXWJKIUIH-UHFFFAOYSA-N 456.502 5.872 5 40 JKBB CC(C)(C)c1cc(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)n(-c2ccccc2)n1 32666609 YJVUNAGTWBAELU-UHFFFAOYSA-N 466.541 5.182 5 40 JKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccccc2)cc1 51330339 DJSUJOQACAFWHA-XDTRZITMSA-N 454.486 6.304 5 40 JKBB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3cccc([N+](=O)[O-])c3)C2=C(O)C1 102491753 JLVYRCWYBULNSR-FQEVSTJZSA-N 459.424 5.950 5 40 JKBB Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)O)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1C 408998475 UPIPKKPAFHNRKZ-UHFFFAOYSA-N 466.449 5.531 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 1411647 NGCGMPMVIMYRCW-DNTJNYDQSA-N 484.873 5.473 5 40 JKBB O=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 62949792 IEGWNYDPHMEOLG-UHFFFAOYSA-N 485.971 5.560 5 40 JKBB O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 68563800 URGMBQVUUXIRBK-FIFLTTCUSA-N 462.374 5.660 5 40 JKBB O=C(Nc1ccccc1/N=c1\cc(-c2ccccc2)[nH]n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 102422255 KJCRNMQVFSKGOL-ORIPQNMZSA-N 475.508 5.865 5 40 JKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccccc1 408564797 AHIPWUGFRCHNMF-QHCPKHFHSA-N 464.522 5.404 5 40 JKBB Cc1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409315766 WEMPBVGEOKAERU-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)n2c(nc3ccccc32)N1 1428561 YXYNARUNKLHSLS-RUZDIDTESA-N 497.511 5.218 5 40 JKBB O=[N+]([O-])c1cc(F)c(Sc2cc(Br)c([N+](=O)[O-])cc2F)cc1Br 1595353 RXQVNNYPLFQTHX-UHFFFAOYSA-N 470.045 5.457 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc3c(c2)OCO3)cc1/C=C/c1ccc2c(c1)OCO2 1714409 NGMRWNUPBHUVGP-IJIVKGSJSA-N 460.398 5.301 5 40 JKBB Clc1nc2cc(Br)c(Br)cc2c2ccc(Br)cc12 1722493 RAYVUAJIWMUQRQ-UHFFFAOYSA-N 450.355 6.329 5 40 JKBB COc1c2c(cc3c1[C@H](CC(=O)c1cc4c(cc1C)C(C)(C)[C@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 1815969 LGRJPKHZNMLPAF-DVECYGJZSA-N 492.680 6.274 5 40 JKBB biogenic Cc1ccc(OCc2nnc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2-c2ccccc2)c2c1CCC2 2381213 UGPGTABDHHVFGC-UHFFFAOYSA-N 486.553 5.515 5 40 JKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] 8832117 RNTSYVGUQXSNIK-UHFFFAOYSA-N 457.873 6.770 5 40 JKBB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9190287 REJKPQAOCBGQOK-UHFFFAOYSA-N 450.520 5.151 5 40 JKBB O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 16545602 CBOYSRBHOJJLPY-UHFFFAOYSA-N 483.911 7.230 5 40 JKBB O=C(Nc1cc(Cl)ccc1Oc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 22079317 MNYXKBSIVDANII-UHFFFAOYSA-N 471.872 5.269 5 40 JKBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(S[C@@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)nc3ccc([N+](=O)[O-])cc31)C2=O 100928208 OIQAHDMGJUIHAG-NZKLXTFSSA-N 495.645 5.997 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223911377 NJRJIWMBYGOTBH-RPBOFIJWSA-N 485.569 5.493 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F 224908469 HECPNSCMXQBRMT-ZEQRLZLVSA-N 473.533 5.405 5 40 JKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 408558030 RPJABZMGZYBQMI-UHFFFAOYSA-N 461.287 5.696 5 40 JKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 408993563 WFSWKCYNDPFYNG-ZYAQVELZSA-N 470.525 6.169 5 40 JKBB O=[N+]([O-])c1cccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(Cl)cc3)n2)c1 3765721 BIBPRQKJRYFKET-UHFFFAOYSA-N 450.829 6.243 5 40 JKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8590631 DOYQHRRMYMSHDY-UHFFFAOYSA-N 492.919 5.454 5 40 JKBB Cc1ccc2oc(-c3cccc(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)c3)nc2c1 8590688 YPTIEFMKXZIMKO-UHFFFAOYSA-N 463.902 6.832 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)sc2c1CC[C@H](C)C2 8753736 QFELLHJUBAJUHQ-ZDUSSCGKSA-N 484.530 5.479 5 40 JKBB Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2)c1 13149796 LTHOJSJFJWZRMV-UHFFFAOYSA-N 491.598 5.895 5 40 JKBB CCCC/C(Br)=C(\Br)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16951886 QOICWSKPFGEAMF-BUHFOSPRSA-N 480.109 5.242 5 40 JKBB CCOc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/C(=O)c1cccc([N+](=O)[O-])c1 17040956 HSJXQVJBZXRPMR-OCOZRVBESA-N 490.497 5.162 5 40 JKBB O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34763497 QPHOFOGWWLCGDJ-UHFFFAOYSA-N 470.938 5.235 5 40 JKBB Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 36316832 DCAZCKMMEAPQGQ-XVOBZGQLSA-N 499.592 5.030 5 40 JKBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313087 HGSYDOBBXFFWOX-UHFFFAOYSA-N 484.950 5.498 5 40 JKBB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313370 XOFXGRHYPAJMSU-UHFFFAOYSA-N 484.320 7.177 5 40 JKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccncc3)nc2c1 59294632 YNSDGBBKAFRONW-JXMROGBWSA-N 452.426 5.710 5 40 JKBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224733988 XFBJABPCVHMPBF-FQEVSTJZSA-N 483.634 5.003 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 225053353 DXPUGKIXGVHQNC-UIOOFZCWSA-N 498.612 5.255 5 40 JKBB CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)cc1 408560888 FKZAUPUPVJUXFE-FLFQWRMESA-N 464.374 6.145 5 40 JKBB CCCc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)O)n[nH]1 408630526 BBAYFFZAUHKKRV-LDADJPATSA-N 456.549 5.343 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4c5ccccc5C[C@@H]34)cc2)cc1 408993249 CZBMHTFUGVIZSK-CMYDWJSCSA-N 493.519 6.553 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@@H]4[C@H]5CC[C@@H](C5)[C@H]34)cc2)cc1 409336286 NFVZXUXTZIWJSO-HNNVXOBOSA-N 471.513 6.379 5 40 JKBB CCc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2365080 WOGOELPCWCUJRY-UHFFFAOYSA-N 465.944 5.548 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2[N+](=O)[O-])n2c(nc3ccccc32)N1 4786445 LJECTCMAZCLOMV-DEOSSOPVSA-N 453.502 5.489 5 40 JKBB Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1 9578077 SRZCPEOQESOUSK-UHFFFAOYSA-N 469.573 5.276 5 40 JKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 10058991 YCDZDIQXEWXQDV-LRTDBIEQSA-N 451.548 6.496 5 40 JKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2c4ccccc4cc4ccccc24)N3)C1 15945734 VLJOFPOFJPMNBW-SIBVEZHUSA-N 454.639 8.025 5 40 JKBB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 408752772 GTSFDIVUDZWNDA-BDELYBFDSA-N 486.527 5.833 5 40 JKBB O=C1Nc2ccccc2S/C1=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 409107889 XRTRSGZNOTWROL-MTJSOVHGSA-N 483.343 6.022 5 40 JKBB COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409116486 MBHBFCSECSZDHV-UHFFFAOYSA-N 471.351 6.174 5 40 JKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1N1C(=O)c2ccccc2C1=O 409176146 IMLQGIKXAJOPJV-UHFFFAOYSA-N 494.459 5.545 5 40 JKBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 409208551 GSHQJDYCNVMKQZ-WSDLNYQXSA-N 491.525 5.455 5 40 JKBB O=C(COC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 839001 SHQJPGSCVXSQER-UHFFFAOYSA-N 480.476 5.613 5 40 JKBB CC[N+]1(C)CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 1638165 ATTLRCVUJOHHKI-ABQCGAOJSA-N 462.224 5.857 5 40 JKBB COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl 8832313 OEENCJIOZCTFCR-UHFFFAOYSA-N 460.273 5.415 5 40 JKBB Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 9089883 JQAPJIRPRNVRKC-UHFFFAOYSA-N 468.296 5.673 5 40 JKBB O=C(Nc1cccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)c1)c1cccc([N+](=O)[O-])c1 9354729 JYFLSFKGBLHTOC-UHFFFAOYSA-N 489.469 5.131 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 9805848 VZPKCWLSKGNRBW-UHFFFAOYSA-N 458.522 5.044 5 40 JKBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)C1 13463906 XOSKWIQVQQMVBP-TXEJJXNPSA-N 493.796 6.014 5 40 JKBB in-vitro Cc1cc(C(F)F)nc2sc3c(ncn4nc(COc5ccc(-c6ccccc6)cc5)nc34)c12 13644005 PLBCFHRNCDCYIW-UHFFFAOYSA-N 473.508 6.379 5 40 JKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)o1 20151059 TXWDPFJVKSMRDA-KPKJPENVSA-N 458.470 5.876 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 22742313 ZSKCLFZVTLCCIO-JXMROGBWSA-N 484.946 5.644 5 40 JKBB O=c1/c(=C/c2cc([N+](=O)[O-])ccc2OCc2cccc3ccccc23)sc2nc3ccccc3n12 41078062 CZHLCASLXKVPKG-MYYYXRDXSA-N 479.517 5.097 5 40 JKBB C[N+](Cc1csc(Nc2ccccc2)n1)(Cc1csc(Nc2ccccc2)n1)CC1CC1 83996223 ABAOYPNRRVPZPL-UHFFFAOYSA-N 462.668 6.644 5 40 JKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215182252 YIFDXJRZUKYYEN-BHGWPJFGSA-N 473.937 6.612 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 224247949 CWLMVSGLKKBFSB-ZEQRLZLVSA-N 456.527 5.735 5 40 JKBB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 224345784 KTHDXBZXYUHAHS-JWQCQUIFSA-N 469.570 5.520 5 40 JKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(Cc3ccccc3)CCCC2)c(C(C)(C)C)c1 226070092 XOYNYZGNBLHWSO-SANMLTNESA-N 468.702 5.849 5 40 JKBB CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1Cl 408567203 GSJOHARNTFKVIY-GOSISDBHSA-N 483.377 5.400 5 40 JKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409177929 HESWABXRPJUGRE-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409336830 QMOWBCXTJXOQKM-UHFFFAOYSA-N 469.426 6.151 5 40 JKBB Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)nc2ccccc2c1=O 3221171 PGDCBURUSCHYPR-UHFFFAOYSA-N 494.960 5.295 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 8831870 VQEFYMMGDYWTQI-UXBLZVDNSA-N 453.285 6.097 5 40 JKBB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9971264 STGKMOPWKIUUJZ-DEOSSOPVSA-N 470.978 5.932 5 40 JKBB CCN(C(=O)COC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1cccc2ccccc12 12632750 WCRHSLAOFFGUGR-PMACEKPBSA-N 489.572 5.440 5 40 JKBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 13945122 WKGCMEQWAYVWIH-UHFFFAOYSA-N 458.946 5.475 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 16688744 YWVYTVKSEWQZKN-UHFFFAOYSA-N 473.932 5.567 5 40 JKBB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 20970298 VURLFYKUIRGGSB-QHCPKHFHSA-N 489.919 5.534 5 40 JKBB CCOc1ccc(NC(=O)COC(=O)c2ccccc2NCCC2=CCCCC2)c([N+](=O)[O-])c1 25387848 ZOBUHSSOLYDFKK-UHFFFAOYSA-N 467.522 5.091 5 40 JKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)cc1[N+](=O)[O-] 215212639 QSNYSCHEONYTDZ-ODCIPOBUSA-N 498.900 5.782 5 40 JKBB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 223911323 NJRJIWMBYGOTBH-DQEYMECFSA-N 485.569 5.493 5 40 JKBB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224479512 XNSGEZIKGYPCIL-HXUWFJFHSA-N 498.432 5.078 5 40 JKBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1 224482487 LCIBJRSBXOMSRL-XZOQPEGZSA-N 476.945 6.080 5 40 JKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 408610010 QDLGINVGLYAFDI-UHFFFAOYSA-N 457.324 5.947 5 40 JKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CSCN1C(=O)OCc1ccccc1 408738873 WOLUHMRIKLAQTO-QFIPXVFZSA-N 495.582 5.396 5 40 JKBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(C)C3=O)c1C 408996293 CWBBIFZQWFQTLU-UHFFFAOYSA-N 454.280 5.097 5 40 JKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl 409113723 DYHMSOODKGIZHP-UHFFFAOYSA-N 461.743 6.510 5 40 JKBB Cc1ccc(C(=O)COC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1[N+](=O)[O-] 1311234 QFHQAZBZFAEUGT-UHFFFAOYSA-N 470.821 5.297 5 40 JKBB C[C@H]1CCCC[C@H]1n1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1cccnc1 9493698 YLVJOPXAOQKRGZ-HNAYVOBHSA-N 477.550 5.342 5 40 JKBB COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2C)nc2cc([N+](=O)[O-])ccc21 12600929 GFYUYMFWJXZRFH-UHFFFAOYSA-N 462.531 5.290 5 40 JKBB CC(C)(C)OC(=O)N[C@H](C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1)c1ccccc1 13576341 VIAFATOHAUTXDX-QFIPXVFZSA-N 495.915 5.477 5 40 JKBB O=c1c2cc(Cl)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl 16384086 DASOUXDTGUOCLD-IZZDOVSWSA-N 472.715 6.425 5 40 JKBB O=C1S/C(=C\c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 33386534 VRWBMEXBFVDHTL-XKZIYDEJSA-N 464.474 5.549 5 40 JKBB CC(C)(C)[C@@H]1CC[C@@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@H]2C1 102201970 UTHVRYMNNMKNFX-WONHAXNMSA-N 480.586 6.240 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 408574495 UYWNDFRIMZTASY-FQEVSTJZSA-N 471.340 6.471 5 40 JKBB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 408580768 DWOSWSWVUCSURG-UHFFFAOYSA-N 482.871 5.763 5 40 JKBB CC(C)(C)c1ccc(OC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408975193 IZVZIXAZRYLCEX-UHFFFAOYSA-N 458.521 6.396 5 40 JKBB COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 409141706 WLHKDLUBQCAZAY-LICLKQGHSA-N 483.329 5.163 5 40 JKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 409173400 MEGRNTZLETYONN-UHFFFAOYSA-N 471.252 5.059 5 40 JKBB Cc1ccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 797501 VTIYCKFFODJTCC-UHFFFAOYSA-N 488.573 5.135 5 40 JKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 4122608 IXHJNSFXRDHTMK-UHFFFAOYSA-N 484.556 6.553 5 40 JKBB CN(C)p1oc2ccc3cccc(op(N(C)C)oc4cccc5ccc(cc54)o1)c3c2 8444560 XZPWORLCVFCHLF-UHFFFAOYSA-N 466.414 7.851 5 40 JKBB COc1ccc(C(=O)NCCn2cc(SCc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 16953364 LHXFUFOVBXYIDW-UHFFFAOYSA-N 461.543 5.280 5 40 JKBB O=[N+]([O-])c1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 19880873 GOACCKYVWDKBFM-IRLDBZIGSA-N 450.292 5.600 5 40 JKBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224200648 BLUPERNEULZNNU-DEOSSOPVSA-N 483.634 5.003 5 40 JKBB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 224354581 ANQAHXJPDVQWOH-DQEYMECFSA-N 470.554 5.989 5 40 JKBB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCCC3)cc2)C1 225537050 BPJZTLYNLNYBJN-OAQYLSRUSA-N 465.594 5.546 5 40 JKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408553850 BLSDVQVVOIZCTH-UHFFFAOYSA-N 455.898 5.277 5 40 JKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1 408682172 JCJQYAQFFYEJTB-JOCHJYFZSA-N 488.359 5.454 5 40 JKBB CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c2ccccc21 409112865 MBGXWWVOULWUIY-STZFKDTASA-N 479.330 5.843 5 40 JKBB O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 409130883 NZTVPEXANCMQHN-HYARGMPZSA-N 452.532 5.790 5 40 JKBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 409329895 INZLZTSGSMAUSL-LPYMAVHISA-N 491.525 5.653 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)cc1 8744520 KZRGVGTXOSBQJD-NRFANRHFSA-N 467.573 5.114 5 40 JKBB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9062411 GDLQKISIXITLQB-UHFFFAOYSA-N 493.479 5.232 5 40 JKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(F)c(Cl)c3)c2ncn1Cc1ccc(Cl)cc1 9461558 TZSSCSNZYGEWGY-UHFFFAOYSA-N 490.325 5.778 5 40 JKBB O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 9971779 JJRYCIOHFNFLGF-UHFFFAOYSA-N 495.023 5.447 5 40 JKBB Cc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)nc2SCC(=O)Cc2ccccc2)c(C)c1 12574926 XQJAFJPIZJKIFT-UHFFFAOYSA-N 457.555 5.968 5 40 JKBB CCOc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 13555368 OEZOZAUBOUCPMA-QHCPKHFHSA-N 452.466 5.391 5 40 JKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2c(Br)cccc12 32107011 LMXRHJKQYVPENL-UHFFFAOYSA-N 464.728 5.291 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@@H]1c1ccc(C)cc1 102529256 PZVGAAKPGLKPPG-PBBNMVCDSA-N 481.552 6.863 5 40 JKBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 408552925 LRTOAWYKRAKJDQ-UHFFFAOYSA-N 485.334 5.896 5 40 JKBB CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O 408993458 DDJMEPBGDVYJBH-UHFFFAOYSA-N 471.900 6.508 5 40 JKBB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409189289 OUAHLTYEAPBROB-LPYMAVHISA-N 496.928 6.077 5 40 JKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3ccc(Cl)cc3)nc2N1 940776 OSRKYYYRTBOFFR-QFIPXVFZSA-N 486.919 5.434 5 40 JKBB COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1 9010231 IQTOXZDMEZZPLQ-UHFFFAOYSA-N 461.474 5.353 5 40 JKBB O=C(CCN1c2ccccc2Sc2ccccc21)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9562079 OGZLTOOZLOYUDR-UHFFFAOYSA-N 474.498 5.381 5 40 JKBB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9703786 MRYQKBLFIHWWLB-UHFFFAOYSA-N 473.433 5.079 5 40 JKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1sc2c([N+](=O)[O-])cccc2c1Cl 13946210 UKISKYHQQMZTMM-UHFFFAOYSA-N 450.347 6.359 5 40 JKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)oc2cc1C 21578732 ILTBQYDXEBTQIZ-ACCUITESSA-N 493.519 7.240 5 40 JKBB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 33737139 QXDARKDVEFYVBM-UHFFFAOYSA-N 483.594 5.256 5 40 JKBB O=C(Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cccc(Cl)c1 35271991 MESSPBOMVMRETQ-UHFFFAOYSA-N 489.340 5.281 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)o1 214080975 VWEPOFANADRJIN-RGVLZGJSSA-N 470.890 5.753 5 40 JKBB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl 225565573 VDVQBCXOLOSSDI-UHFFFAOYSA-N 476.957 5.129 5 40 JKBB Cc1cccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)O)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 409000925 ZAOGYWXQAFZWFT-UHFFFAOYSA-N 452.422 5.222 5 40 JKBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409261878 DWVSBAPUGMCJJZ-UHFFFAOYSA-N 487.965 5.007 5 40 JKBB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 1787374 DJQMQVUAYXPIKA-UHFFFAOYSA-N 469.763 6.106 5 40 JKBB O=C(Nc1cc(Cl)ccc1Cl)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 3146546 SDVXMDPNAAIVLI-UHFFFAOYSA-N 499.137 6.713 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 8836813 FRBNEXXOYWTXDB-UHFFFAOYSA-N 476.378 5.626 5 40 JKBB COc1c2c(cc3c1[C@@H](C[C@@H](O)c1cc4c(cc1C)C(C)(C)[C@@H](C)CC4(C)C)[N+](C)(C)CC3)OCO2 9043455 DOTASAVNOLKOGW-QTLGCAHFSA-N 494.696 6.125 5 40 JKBB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)oc2c1CC[C@H](C)C2 11689789 NWNVDJJWNYKUGU-ZDUSSCGKSA-N 468.462 5.010 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ncnc2scc(-c3ccc(F)cc3)c12 21120418 NTWLUFMKFIODFR-GFCCVEGCSA-N 484.534 5.534 5 40 JKBB CC1CCN(c2ccc(C(=O)NCc3ccc(-c4nc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1 57313285 YETNBTDKNPCKST-UHFFFAOYSA-N 470.529 5.569 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1 408987595 FVZUNZXDNRUPNG-UHFFFAOYSA-N 497.576 6.973 5 40 JKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1[N+](=O)[O-])[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 409177377 GBPHKKMIKFMCSZ-HKDRDPIHSA-N 466.468 5.157 5 40 JKBB O=[N+]([O-])c1ccc(P(=O)(Nc2ccc3ccccc3c2)Nc2ccc3ccccc3c2)cc1 1870332 UZWKLBMBMIUGSR-UHFFFAOYSA-N 453.438 6.944 5 40 JKBB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 2353365 XJGVBNZAITWMMW-UHFFFAOYSA-N 460.873 5.812 5 40 JKBB COc1cc(OC)cc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2C(C)(C)C)c1 2718604 KSMPUCAXDKOGBB-UHFFFAOYSA-N 471.535 5.242 5 40 JKBB Cc1ccc(-n2c(SCc3cc(=O)oc4ccc5ccccc5c34)nnc2-c2ccccc2)cc1C 3355246 WMEVKYUDCXSBGR-UHFFFAOYSA-N 489.600 7.103 5 40 JKBB CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2cnc(-c3cccc(Br)c3)cc12 8815587 GBIBDWARAWUZON-UHFFFAOYSA-N 494.301 5.080 5 40 JKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 8833308 HRKVPOOQWMQMHE-ZZXKWVIFSA-N 480.304 5.827 5 40 JKBB CCOC(=O)c1c(-c2ccccc2)oc2c1cc(OC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 9354589 BUYNLYWIYTVAFA-UHFFFAOYSA-N 481.460 6.557 5 40 JKBB biogenic CCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 10119812 PSCUEMTZEZOONW-UHFFFAOYSA-N 496.317 5.745 5 40 JKBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13787250 GTIWCDBYJAWIOT-XXBNENTESA-N 494.301 5.328 5 40 JKBB C[C@]1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 13896870 XTVFVZDEWCQZJA-GDLZYMKVSA-N 461.521 6.682 5 40 JKBB O=[N+]([O-])c1ccc(NCCNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 16525906 PAOWGUOAYVIALR-UHFFFAOYSA-N 461.949 6.182 5 40 JKBB COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1 21579339 RDKXOEDMGMQBIS-UHFFFAOYSA-N 455.426 5.924 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5cc(C(C)C)ccc5o4)cc3)cc2[N+](=O)[O-])CC1 57316031 HGGQGWOBEYVGCS-UHFFFAOYSA-N 498.583 7.015 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 106683260 OSSBQUVVDQBJCA-NVNXTCNLSA-N 453.701 5.247 5 40 JKBB CCCN(Cc1ccccc1)C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 409333681 IHMYHHSKUNDNMB-UHFFFAOYSA-N 457.537 5.932 5 40 JKBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)n2c(nc3ccccc32)N1 1428560 YXYNARUNKLHSLS-VWLOTQADSA-N 497.511 5.218 5 40 JKBB COc1ccc(CSc2nnc3n4nc(C)nc4c4c5c(sc4n23)CCC[C@@H]5C)cc1 2442144 SMDKYCDTBLANBE-LBPRGKRZSA-N 450.593 5.036 5 40 JKBB CC(=O)Nc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1 2751323 LSADHBWFPWIRTN-UHFFFAOYSA-N 462.461 6.216 5 40 JKBB Cc1oc2cc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2c(=O)c1Oc1ccc(Cl)cc1 3264512 YQPQHXFOAPDMJM-UHFFFAOYSA-N 486.263 6.328 5 40 JKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ccccc3s2)c1O 10372884 FJMLCRRRIZVQHA-UHFFFAOYSA-N 473.554 6.336 5 40 JKBB Cc1ccc([P@@](=Nc2cc([N+](=O)[O-])ccc2Br)(Oc2ccccc2)C(C)(C)C)o1 13302537 WYHQMKGWNVXEJL-GDLZYMKVSA-N 477.295 7.209 5 40 JKBB O=[N+]([O-])c1cccc(Cn2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)c1 13960658 UDDDKPFQMBTBRF-UHFFFAOYSA-N 487.409 6.376 5 40 JKBB O=C(c1ccc(Cl)cc1)[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 103126924 CHUXSZHUUIMECI-PMACEKPBSA-N 484.295 5.198 5 40 JKBB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224245513 WSKOYAHHEPGMJD-ZEQRLZLVSA-N 455.543 5.266 5 40 JKBB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 224780092 YDTBNWQNCIHLDZ-ZEQRLZLVSA-N 487.610 5.657 5 40 JKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1Cl 408573317 BAJKSBIBFMYLIU-UHFFFAOYSA-N 480.329 5.263 5 40 JKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 409051360 LFVUOFDIEOKGPK-UHFFFAOYSA-N 453.882 6.430 5 40 JKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 409094140 CFYNZSQMYCBLHP-UHFFFAOYSA-N 461.400 5.547 5 40 JKBB Cc1ccc(-c2n[nH]c(O)c2C(c2cccc([N+](=O)[O-])c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409371262 GOORTGVUQNWCKS-UHFFFAOYSA-N 481.512 5.583 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4)c(CC)nc32)cc1 2273981 OURIWUKLFADRFI-UHFFFAOYSA-N 475.552 5.293 5 40 JKBB COc1ccc(C(=O)Oc2c(Sc3ccccc3[N+](=O)[O-])c(C)nn2-c2ccccc2)cc1 2718509 JFULQEVMEPUMIQ-UHFFFAOYSA-N 461.499 5.468 5 40 JKBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3OC)cc2s1 3671013 YDJNIPMVLBMQGN-UHFFFAOYSA-N 481.555 5.766 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CCCC3=O 4149954 OAJOWCXFHXLCQD-UHFFFAOYSA-N 450.472 5.122 5 40 JKBB Cc1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)c(C)o1 9138800 BYOKMIIIUVLCRR-LJQANCHMSA-N 473.279 5.104 5 40 JKBB CC(C)c1nnc(Sc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])n1C1CC1 9377841 AEXBPVQNCUQGBC-UHFFFAOYSA-N 473.558 6.201 5 40 JKBB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 16385902 JBKSREBKRTUPBM-FMQZQXMHSA-N 465.195 5.784 5 40 JKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 16691933 NPLHETGMNAZWQI-AWNIVKPZSA-N 488.525 5.328 5 40 JKBB CCN(CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 19144333 JWLITWATDRVAKE-PVGBUVFQSA-N 473.064 7.529 5 40 JKBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 20609974 MMMZLNCHGFIDLD-UHFFFAOYSA-N 453.458 5.458 5 40 JKBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224706569 NQYKXDNBBUMEGU-FQEVSTJZSA-N 483.634 5.003 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)cc1 408564554 ZMTWXKCQRBZUOV-FLFQWRMESA-N 464.374 6.145 5 40 JKBB O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1 408977745 XJBWKXDKOMIIBL-FQEVSTJZSA-N 455.521 5.509 5 40 JKBB CSc1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1 409115202 JKRJFNAKAIRVCL-MUUNZHRXSA-N 495.604 6.678 5 40 JKBB COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-c2cn(C)c3ccccc23)n1 2362803235 SCTHITQWGZRSGZ-UHFFFAOYSA-N 479.468 5.000 5 40 JKBB COc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 907450 YTICOIYXCZAQQA-UHFFFAOYSA-N 460.515 5.135 5 40 JKBB Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 917698 LZOCCMOPEQTWHR-UHFFFAOYSA-N 475.555 5.312 5 40 JKBB COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1066299 OMJGNHAOUQWRSM-UHFFFAOYSA-N 454.348 5.372 5 40 JKBB CCCCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4cc(C)ccc4C)c(C)nc32)cc1 2234804 MRJSEGFYZNWGRN-UHFFFAOYSA-N 487.607 6.541 5 40 JKBB Cc1cc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 3176826 POQXXIJIWKULGD-UHFFFAOYSA-N 496.479 5.983 5 40 JKBB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 3298026 VBDBKFKMFLNGBK-UHFFFAOYSA-N 478.570 5.730 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc3c4ccccc4n(Cc4ccccc4Cl)c3n2)cc1 9010383 UMIRYRNADFZHGY-UHFFFAOYSA-N 461.934 5.882 5 40 JKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1 22753016 RDOIQRXHALWSJS-CQSZACIVSA-N 494.345 6.931 5 40 JKBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccc4Cl)n3-c3ccccc3F)c1)OCOC2 33782448 WWBKFTXKCDKFFT-UHFFFAOYSA-N 498.923 5.794 5 40 JKBB COc1ccc(Cn2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)cc1 40398708 FQGJPJXNQYDZSQ-UHFFFAOYSA-N 478.335 5.064 5 40 JKBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 214079431 ASIMCRFMORVSEA-RGVLZGJSSA-N 497.916 5.681 5 40 JKBB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 223841350 ROGYTNZJJMSZNA-LOSJGSFVSA-N 486.553 5.826 5 40 JKBB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408561090 GNKWIHKLOKCUNP-QOCHGBHMSA-N 480.771 5.610 5 40 JKBB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 408802828 HYYGCGKQCXSOFN-UHFFFAOYSA-N 475.333 6.233 5 40 JKBB COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=C2)N(C)c2ccc3c(sc4ccccc43)c2C1(C)C 1900523 SPYPNEXPKHCSCL-SANMLTNESA-N 458.539 6.501 5 40 JKBB CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@H]3[C@H]2c2ccc(F)cc2)n1 8455601 ISUVVAXPXKUSAN-YORRSOOJSA-N 491.498 5.526 5 40 JKBB COc1ccc(N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1Cl 9127523 LSFMIOMWRLQVRI-HXUWFJFHSA-N 490.741 5.811 5 40 JKBB Cc1cccc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 9892696 KORQVYLCWWXUKP-UHFFFAOYSA-N 475.244 5.000 5 40 JKBB COc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc(OC)cc2)cc1 14586207 UVPJZTGMNXADMN-UHFFFAOYSA-N 461.499 5.655 5 40 JKBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 16689071 PVBNLLLPUDFFJO-UHFFFAOYSA-N 455.942 5.428 5 40 JKBB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 36352184 WTVJLSVGIAMVHZ-GMAHTHKFSA-N 454.313 6.452 5 40 JKBB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 106699836 COVGGQQGCRKQNY-UUASQNMZSA-N 488.146 5.901 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl 214396467 IEGIRZUSCYARRR-RGVLZGJSSA-N 488.352 5.988 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224245641 WSKOYAHHEPGMJD-DNQXCXABSA-N 455.543 5.266 5 40 JKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(Cl)cc1 408567590 GWZQENKZSWYNDR-HSZRJFAPSA-N 480.977 5.918 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-] 408669572 WWMJHBRWMYKLGT-WPSZSDGUSA-N 496.560 5.316 5 40 JKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(Cl)cc4)cnc32)cc1Cl 8871105 CMTMVVVTQCNBLH-UHFFFAOYSA-N 486.362 5.947 5 40 JKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 8892883 UBZSZACGVGNTDO-JXMROGBWSA-N 477.329 5.193 5 40 JKBB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8898871 SDSUMZJXOJCTHA-UHFFFAOYSA-N 494.960 5.614 5 40 JKBB C[C@@H]1CCCCN1CCCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 8914622 PVQJLDHFAFIYFX-GOSISDBHSA-N 467.569 5.617 5 40 JKBB CC(C)(C)c1ccc2[nH]c3c(cc(N4CCOCC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9353402 QQSLIAOOPLHRQP-UHFFFAOYSA-N 454.526 5.075 5 40 JKBB CC1(C)CC2=NN(c3ccccc3)[P@](=O)(Nc3ccccc3[N+](=O)[O-])C2=C(N2CCCCC2)C1 13302893 WPHJFBREQMWOBC-UUWRZZSWSA-N 479.521 6.594 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1cccc2ccccc12 14131944 ZUZJDWCYYSRZOI-WGOQTCKBSA-N 496.544 6.564 5 40 JKBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1C 16362773 TUVWCAAEXZPXDL-UHFFFAOYSA-N 455.942 5.346 5 40 JKBB O=C(Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)c1cccc(Cl)c1 35269535 IAZOVSUXRLFZCK-UHFFFAOYSA-N 461.861 6.013 5 40 JKBB C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 105833454 UPLQGFQGTUNAID-FYYLOGMGSA-N 464.319 5.774 5 40 JKBB O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1 409210250 FSOWGYBORPASBN-HYARGMPZSA-N 491.481 5.574 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 409335570 KIOPJEAFCNTYIZ-HNNVXOBOSA-N 460.961 7.124 5 40 JKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2373932 BASNRVAXSUQCNR-UHFFFAOYSA-N 461.953 5.526 5 40 JKBB O=c1c2cc(N3CCCCC3)ccc2nc(SCc2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 2974107 ASGRSWGLCCZHNC-UHFFFAOYSA-N 486.597 5.636 5 40 JKBB Cc1c(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)cccc1[N+](=O)[O-] 3221084 DNXLXESISGYMMB-UHFFFAOYSA-N 453.501 5.037 5 40 JKBB Cc1cc(Br)cc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc(-c3ccc(Cl)cc3)nc12 9371784 HKRFIRAUUKURTI-UHFFFAOYSA-N 496.748 6.787 5 40 JKBB CCN(CC)c1cccc(O[P@@](=Nc2cc([N+](=O)[O-])ccc2C)(c2ccc(C)o2)C(C)(C)C)c1 12575229 CUNBJYXHJCSOQG-UMSFTDKQSA-N 483.549 7.602 5 40 JKBB COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(C(C)(C)C)cc3)c12 20183460 QCFAFXHLQPFBKP-UHFFFAOYSA-N 452.514 6.455 5 40 JKBB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 32116683 DZPHUQGYAHXQQI-UHFFFAOYSA-N 488.681 5.777 5 40 JKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccc([N+](=O)[O-])cc1 101019032 RQQPPKAJDTYZLG-OAQYLSRUSA-N 472.892 5.148 5 40 JKBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1 408577041 YMFDFSVBWLAXOJ-DEOSSOPVSA-N 476.558 5.273 5 40 JKBB COc1ccccc1-n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1cccs1 10022337 GKLSMQJDVINEBL-UHFFFAOYSA-N 482.543 5.071 5 40 JKBB COc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1NC(=O)c1cc2ccccc2o1 10372875 FCGKJTXWFHPAHH-UHFFFAOYSA-N 499.523 6.052 5 40 JKBB CC(C)CCC[C@H](C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13096863 RROVTFORQOMGKQ-HNNXBMFYSA-N 454.514 6.709 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1Br 16226755 LEGVDAZJAWRQNW-UHFFFAOYSA-N 468.263 5.426 5 40 JKBB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNCc3ccc4ccc5cccc6ccc3c4c56)CCC[C@@]21C 43766846 MGHLOQFXADVOMU-HTVAGRJCSA-N 499.742 9.508 5 40 JKBB O=C(Nc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1)c1cccs1 59294160 MQQIDYKRNXEXCV-UHFFFAOYSA-N 457.920 6.029 5 40 JKBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 224879207 RCKBMUYYZRGYHO-DHIUTWEWSA-N 491.960 5.317 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 408563000 SSUAWBQQLPPPIA-GYHWCHFESA-N 459.955 5.500 5 40 JKBB CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408613844 WKSYMPXXUXXXRW-UHFFFAOYSA-N 471.351 6.256 5 40 JKBB COc1ccc(-c2ccc(/C=C(\Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)o2)c([N+](=O)[O-])c1 408633928 NRCLAAHAMADGRF-ODLFYWEKSA-N 498.904 5.520 5 40 JKBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409183892 WCKSPYJVTCQRGN-WLRTZDKTSA-N 471.922 5.009 5 40 JKBB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 1828495 VCDQMMHHAVFHHD-ZDUSSCGKSA-N 458.967 6.794 5 40 JKBB CCCCCCN(CCCCCC)C[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 4428726 IUUPQDQLSMAILL-NDEPHWFRSA-N 484.522 8.252 5 40 JKBB CCOc1ccc(CSc2ncnc(SCc3cccc(OCC)c3)c2[N+](=O)[O-])cc1 8431494 IBARYNDLHMMDSB-UHFFFAOYSA-N 457.577 5.767 5 40 JKBB O=[N+]([O-])c1cccc(-c2cc3scc(-c4ccccc4)[n+]3cc2-c2cccc([N+](=O)[O-])c2)c1 8439601 OYYJOLKTBJSREN-UHFFFAOYSA-N 454.487 6.304 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc(F)cc2)c2nc(CCCC)n3c4ccccc4nc3c12 9243316 NJIVMHKIEZBFNG-UHFFFAOYSA-N 458.537 6.404 5 40 JKBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 12524976 GPSXUODMJRQHKW-FQEVSTJZSA-N 495.535 6.058 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1SC(c1ccc(F)cc1)c1ccc(F)cc1 12538052 GKSGNPXDOFIZQI-UHFFFAOYSA-N 490.553 5.539 5 40 JKBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(-c2ccccc2)cc1 13575003 FFEWSGZULMOVFC-UHFFFAOYSA-N 487.537 5.096 5 40 JKBB CCC1=NN(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 13658778 FZNTWCIDJRWCSF-VWLOTQADSA-N 487.541 5.079 5 40 JKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 14270499 ZJMKOZQXAIYGPZ-UHFFFAOYSA-N 468.947 5.652 5 40 JKBB Cc1cc(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 32114714 FAHXAVJLKUXIGF-UHFFFAOYSA-N 479.876 5.573 5 40 JKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nc3ccccc3s2)s1 33713945 IKILWPJTUWGOIL-UHFFFAOYSA-N 454.485 5.157 5 40 JKBB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 35851849 QEKIEKMHKQUNFP-GIBNYFNHSA-N 499.592 5.030 5 40 JKBB COc1ccc(/C=C/c2cc(-c3ccc4ccccc4n3)nc3cc4[nH]c5ccccc5c4cc23)cc1 36368052 QKLPCFGDTUDPHT-JLHYYAGUSA-N 477.567 8.264 5 40 JKBB biogenic O=[N+]([O-])C[C@@H](c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408566626 FTYIQMDONJQNFG-IBGZPJMESA-N 475.759 7.116 5 40 JKBB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1[N+](=O)[O-] 408667705 JRHIYHWPJHWZJQ-UHFFFAOYSA-N 475.888 5.567 5 40 JKBB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(C)c([N+](=O)[O-])c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409368163 NYWGZHHFQNITHP-UHFFFAOYSA-N 495.539 5.892 5 40 JKBB O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)cc1 4558523 FNPCBTGUCSDVBX-UHFFFAOYSA-N 462.849 6.306 5 40 JKBB CCCCCCSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 9065291 YJUKRLCFTIKRLK-UHFFFAOYSA-N 453.681 6.637 5 40 JKBB Cc1ccc([P@@](=Nc2ccc([N+](=O)[O-])cc2)(Oc2cccc(Br)c2)C(C)(C)C)o1 12575347 ALURLYBSSRICBI-GDLZYMKVSA-N 477.295 7.209 5 40 JKBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2Cl)ccc1Cl 12659820 QJIKVBHZHOGCBN-UHFFFAOYSA-N 490.328 5.389 5 40 JKBB CC(C)[C@@H](NC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 13096917 GHPMANMAWGNLLU-LHSJRXKWSA-N 481.471 5.089 5 40 JKBB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c2)N3)C1 15947497 QYFSIEUQTKLWDM-LRTDBIEQSA-N 463.515 5.429 5 40 JKBB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1 16692031 LYJIVBRBBBPMHF-UHFFFAOYSA-N 496.932 5.582 5 40 JKBB Cc1noc(C[C@@H](CC(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc2)c1[N+](=O)[O-] 19872781 AYTZDZWVSMANBQ-HSZRJFAPSA-N 456.498 6.070 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])o2)cc1 22571758 DLUDOGDWTGPEON-UHFFFAOYSA-N 463.273 5.518 5 40 JKBB O=[N+]([O-])c1ccc(S/C(=C\Cl)CSc2nc(O)c3c4c(sc3n2)CCCC4)cc1 57505513 MNDGCQAIWUXEIH-LCYFTJDESA-N 466.009 6.149 5 40 JKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 106703638 LNRRALZLUQYFCI-XKZIYDEJSA-N 496.997 6.944 5 40 JKBB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 224245558 WSKOYAHHEPGMJD-RPWUZVMVSA-N 455.543 5.266 5 40 JKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225588275 RCRKJJIJMDNVNW-VGSWGCGISA-N 492.041 5.204 5 40 JKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 408750162 KYTXDNDVWDMXHQ-UHFFFAOYSA-N 481.942 5.951 5 40 JKBB CCc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 409097659 IZKGVEROQWILKO-UHFFFAOYSA-N 470.476 6.575 5 40 JKBB Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409181289 AQBOGVLHLLHFSF-UHFFFAOYSA-N 485.279 5.368 5 40 JKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C 409356414 GIXZFFCEHIKCMM-JAIQZWGSSA-N 454.891 6.366 5 40 JKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 2058670 NSIDNMDDADFBLS-UHFFFAOYSA-N 476.366 6.915 5 40 JKBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2304318 ZBYVWRLWNBWRDU-UHFFFAOYSA-N 479.971 5.742 5 40 JKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2)c1cccc([N+](=O)[O-])c1 9330017 NGNKRSMKQYTCNH-OAQYLSRUSA-N 490.882 5.287 5 40 JKBB CCOC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1-c1ccccc1 9367869 HWRCNZBSEOECNI-UHFFFAOYSA-N 453.501 5.362 5 40 JKBB COc1ccccc1-c1nnc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)o1 9669945 FGFCICIMZNMJLY-OAQYLSRUSA-N 476.514 5.434 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 11277717 JVXHHRSESVCFED-PMERELPUSA-N 495.506 5.645 5 40 JKBB Cc1ccccc1-c1nc2oc3ccc(Br)cc3c(=O)c2c(=O)n1CCc1ccccc1 11851722 YJJNVWQIRDMKCV-UHFFFAOYSA-N 487.353 5.484 5 40 JKBB CCCCCCc1c(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)c(C)c2oc1=O 11865494 IEMVKOBBHGWFMV-UHFFFAOYSA-N 463.452 7.252 5 40 JKBB O=[N+]([O-])c1cccc([C@@H](O)C2([n+]3ccc(-c4ccccc4)cc3-c3ccccc3)CCCCC2)c1 15770368 GFWMOQZPCGNACG-GDLZYMKVSA-N 465.573 6.609 5 40 JKBB CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257625 HDYWTWAHMQGQQL-AWEZNQCLSA-N 493.347 5.466 5 40 JKBB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3[N+](=O)[O-])C(=O)[C@H]12 22566002 DFFUMHSSRAQJEI-ZQFKLAOWSA-N 458.901 5.209 5 40 JKBB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 33362758 ZFGLJNHQPCNGNO-XKZIYDEJSA-N 464.474 5.549 5 40 JKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)oc2c1 59294104 HBDJOLLBAIWZCW-UHFFFAOYSA-N 470.529 6.200 5 40 JKBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106690425 WTKHRMLFOULZKU-MTJSOVHGSA-N 495.488 5.556 5 40 JKBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106740675 IUGMOWIAWHPVDN-UKWGHVSLSA-N 483.889 5.004 5 40 JKBB O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1840059 KPHHZGAHMSLHRB-UHFFFAOYSA-N 477.856 5.939 5 40 JKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1OCc1ccccc1Cl 3321110 AKCRKQKTEAEEQA-UHFFFAOYSA-N 455.850 5.051 5 40 JKBB Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2ccccc2)cc(Oc2cccnc2)c1 6177622 JWNQSGQVEIFRMV-UHFFFAOYSA-N 479.880 5.371 5 40 JKBB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1OC 8903905 CDCGJLUVHAJFEP-ONNFQVAWSA-N 479.876 5.726 5 40 JKBB Cc1c(Cl)cccc1-n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O 9467025 KMNSQPVRMSTVBU-UHFFFAOYSA-N 495.944 5.415 5 40 JKBB Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 12342140 DVJGNONNVAYKMY-UHFFFAOYSA-N 469.284 5.220 5 40 JKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCc2sccc2[C@@H]1c1ccccc1 12609351 SBYJEUMFPPRFDA-MHZLTWQESA-N 450.563 5.391 5 40 JKBB Cc1ccc(NC(=O)[C@H](Sc2nnc(N3CCCCC3)n2C2CC2)c2ccccc2)c([N+](=O)[O-])c1 12698182 BHMDQFQZCIRMSC-JOCHJYFZSA-N 492.605 5.292 5 40 JKBB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 13133656 KVHQJURXMYPPGM-UHFFFAOYSA-N 486.572 5.200 5 40 JKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 15549252 RXPIEJMUNXPNSN-ZDUSSCGKSA-N 454.939 5.406 5 40 JKBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 22566016 NQGNXXYCTAASDK-UHFFFAOYSA-N 458.908 5.245 5 40 JKBB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 22706517 GZNFVAKXBUJREL-NTEUORMPSA-N 470.533 5.135 5 40 JKBB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1ccc(Cl)c([N+](=O)[O-])c1 101017086 FTVIVDWHGAIVHY-HXUWFJFHSA-N 490.882 5.287 5 40 JKBB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccco1 102648393 HIPOUBMEQUKABJ-ACSYHNTCSA-N 499.567 7.318 5 40 JKBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225698450 RXNIGIUVPMQHHA-QRWLVFNGSA-N 480.392 5.166 5 40 JKBB O=C1[C@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 239284773 CACWZHSYVDZDDS-HPQIJTKRSA-N 493.519 6.025 5 40 JKBB COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1 409180162 UQSAAWKXRLALSN-VWLOTQADSA-N 496.903 5.143 5 40 JKBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)c4ccccc4)c(CC)nc32)cc1 2315245 GZEDFTAWWFKIQM-IBGZPJMESA-N 489.579 5.854 5 40 JKBB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2376484 VKPSVSSCYVLZKN-UHFFFAOYSA-N 488.356 5.831 5 40 JKBB COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(F)cc2)c1C 8445750 KTOUPLXZGUWZCE-UHFFFAOYSA-N 491.884 5.048 5 40 JKBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1)c1cccc(Cl)c1 9062463 MEAHZZJGFGOAEP-UHFFFAOYSA-N 479.905 5.271 5 40 JKBB CCCCC(=O)Oc1cn(-c2cc(C)cc(C)c2)c2nc(CCCC)n3c4ccccc4nc3c12 9292833 JOWIINCMGUEJBO-UHFFFAOYSA-N 468.601 6.881 5 40 JKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)nc12 10010620 JIYHVLGHUAMNCN-VQHVLOKHSA-N 455.879 5.778 5 40 JKBB CCCn1c(C)cc(-c2csc(NC(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)c1C 13130482 OLRBKVGMBPTTIS-ZDUSSCGKSA-N 495.527 6.005 5 40 JKBB COc1ccc(-c2nnc(SCc3ccc(OC)c([N+](=O)[O-])c3)n2Cc2ccccc2)cc1 16217493 ICVWNZHTSPTQDT-UHFFFAOYSA-N 462.531 5.211 5 40 JKBB CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 35253149 YLNXOJXOBQDNQB-UHFFFAOYSA-N 483.484 5.548 5 40 JKBB O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 214146684 DUPKTFXCZVUILX-UDWIEESQSA-N 453.907 5.335 5 40 JKBB CC(C)(C)c1ccc(OC[C@@H](O)C[N+]2(Cc3ccc(F)cc3)CCCCCC2)c(C(C)(C)C)c1 226070968 KHQSMDRPTKWXMB-SANMLTNESA-N 470.693 6.751 5 40 JKBB CCc1nnc(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)O)o1 408630485 AHMHXUJFXIPEIK-MHWRWJLKSA-N 463.924 5.563 5 40 JKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CSCN1C(=O)OCc1ccccc1 408738870 WOLUHMRIKLAQTO-JOCHJYFZSA-N 495.582 5.396 5 40 JKBB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc([N+](=O)[O-])cc3)N2[C@@H]1c1ccccc1OCC 408993322 WEERYAQGPOBALV-JOCHJYFZSA-N 465.531 5.289 5 40 JKBB COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409145535 QRRLKPHHGGOLJW-LICLKQGHSA-N 468.409 5.089 5 40 JKBB O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc(Cl)c1Cl 409181078 VPUSDEVJWLQHFC-UHFFFAOYSA-N 489.311 6.156 5 40 JKBB O=c1c2c3c(sc2nc(SCc2cc([N+](=O)[O-])cc4c2OCOC4)n1C1CCCC1)CCCC3 3443654 YZXGRQGWQWBYFK-UHFFFAOYSA-N 499.614 5.519 5 40 JKBB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3ccccc3[N+](=O)[O-])c3ncnn32)cc1 10060354 MTWYGKOOGMYVIO-XZOQPEGZSA-N 489.919 5.230 5 40 JKBB COc1cc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC 10120245 BVXQOZBAGIVSBE-JXMROGBWSA-N 475.457 5.081 5 40 JKBB C[C@H]1CCCN(c2ccc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)cc2[N+](=O)[O-])C1 12532598 DKZBKUMOUBVFED-KRWDZBQOSA-N 472.570 6.360 5 40 JKBB COc1ccc(C(=O)N(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ccccc2OC)cc1OC 13149202 LPCOSCLPFRAZSW-UHFFFAOYSA-N 491.525 5.723 5 40 JKBB C[C@@H]1C/C(=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 15979793 PWHLONUIFSTYPO-VQCBNXJZSA-N 487.541 5.244 5 40 JKBB CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 17253642 DZQLBFSYEPOYJZ-NIQVJZJISA-N 471.557 5.909 5 40 JKBB Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1C 22708176 JVEPIXAGQRRSJG-UHFFFAOYSA-N 472.501 5.109 5 40 JKBB O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1)N1CCCCC1 44088217 DIYWXOCBNQXHGB-UHFFFAOYSA-N 488.516 5.154 5 40 JKBB COc1cc2c(-c3ccc([N+](=O)[O-])cc3)nc3c(c(C)nn3Cc3ccccc3)c2cc1OC 70503666 XFZZYGSJFWDXDW-UHFFFAOYSA-N 454.486 5.534 5 40 JKBB C[C@@H]1Oc2ccccc2C=C1c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCCCCC1 79501345 XKUWSRFZOHUSOA-KRWDZBQOSA-N 495.579 7.349 5 40 JKBB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(O)=C2[C@H]1c1ccc(C)cc1 102529266 PZVGAAKPGLKPPG-ONOMSOESSA-N 481.552 6.863 5 40 JKBB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 107895193 YABVAQKLXNNVLD-GOSISDBHSA-N 494.404 5.450 5 40 JKBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 223399777 DPPRCVQAURJIBP-RPWUZVMVSA-N 456.527 5.423 5 40 JKBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224777192 APUJHNRXTCVTPC-HXUWFJFHSA-N 480.392 5.024 5 40 JKBB Cc1c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)ccc2ccccc12 409354050 XGHMZKVYGOSITN-UHFFFAOYSA-N 497.964 5.148 5 40 JKBB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1 1858569 AVPHCVJPJPWNHH-UHFFFAOYSA-N 468.947 5.652 5 40 JKBB CC1=CC(C)(C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc([C@@]3(C)CC(C)(C)Nc4ccccc43)cc21 1867599 PPTLQOQXJQPORK-WJOKGBTCSA-N 495.623 7.337 5 40 JKBB CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C(C)(C)C)C2 2081939 LNQPKZNTJDGZCR-WDBUWWRISA-N 456.564 5.636 5 40 JKBB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2201211 WWLRKJAWNWWQAC-QHCPKHFHSA-N 486.505 5.368 5 40 JKBB C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCc4c(Cl)cccc4Cl)n32)C1 2452762 ULCWPXBHLDULEE-JTQLQIEISA-N 475.430 5.711 5 40 JKBB Cc1c(Cl)cccc1NC(=O)CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3038216 XZXFGWOMCPMNOL-UHFFFAOYSA-N 455.854 5.828 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)C(=C(N1CCCCC1)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 8448369 NRQLGAYYWWYLGZ-UHFFFAOYSA-N 479.493 5.080 5 40 JKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 8590990 GVHXZVDHSBDOGW-UHFFFAOYSA-N 473.872 6.877 5 40 JKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 8900027 IYOYOHVGAIBKPI-VIZOYTHASA-N 495.922 7.375 5 40 JKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 10035097 OXHYNEIEOMBLCK-NTCAYCPXSA-N 481.464 6.324 5 40 JKBB CCN(CC)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2s1 12342195 IBADFDUFLBPNFH-UHFFFAOYSA-N 454.577 5.408 5 40 JKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCc1ccc(OC)cc1 12599918 PUCJEXKUGLPSSG-UHFFFAOYSA-N 454.504 5.080 5 40 JKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1 16347583 QXZICAODOYIGBD-UHFFFAOYSA-N 486.528 5.417 5 40 JKBB C[C@H](NC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2 16576091 JVBIOQGKSFOPJA-SBNSQYLKSA-N 465.506 5.630 5 40 JKBB Cc1ccc(NCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2C)cc1 22409586 NBCDFLKFXFANAW-UHFFFAOYSA-N 473.558 5.379 5 40 JKBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(c2ccccn2)C2CCCCC2)cc1[N+](=O)[O-] 34903661 RAELEGKVKCKAQM-UHFFFAOYSA-N 494.573 5.079 5 40 JKBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc1)[C@H]1C=C[C@H]2C1 100390497 GPVZYVBVGISIJK-KBFVSZBXSA-N 482.492 5.278 5 40 JKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123228894 JQQAXXNZGKFEGG-OYYOEVTJSA-N 468.122 7.085 5 40 JKBB CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561500 IWOPWQCCRPESOO-DAFNUICNSA-N 498.819 6.799 5 40 JKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 408606540 IMIMHNSBCCKTBW-UHFFFAOYSA-N 453.325 7.246 5 40 JKBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2)cc1 408682135 IZFIPMDUVUZPGX-JOCHJYFZSA-N 488.359 5.454 5 40 JKBB CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)c1ccc(SC)cc1 408701654 BSIRQILPISACFC-UHFFFAOYSA-N 485.587 5.093 5 40 JKBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 408728833 UXYMLCMGWWQXEY-YDNHHRFVSA-N 478.504 5.027 5 40 JKBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 408806819 BUXUAHVIJBBVPG-UHFFFAOYSA-N 476.534 5.254 5 40 JKBB O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 2682654 SZCXXCSZMVMNFS-CQSZACIVSA-N 457.528 5.440 5 40 JKBB O=[N+]([O-])/C(=C\Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccccc1 3128153 MRCMKGZHIVTSEB-LDADJPATSA-N 499.854 5.508 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc(CSCc3ccc(Cl)cc3)n2-c2ccccc2)cc1 3134811 CJOIWZJPIVKGIN-UHFFFAOYSA-N 483.018 6.555 5 40 JKBB Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)c2cc(-c3ccccc3)sc2n1 3285428 YRRJOYYQKUERAN-UHFFFAOYSA-N 451.529 5.734 5 40 JKBB O=[N+]([O-])c1ccc([C@@H]2[C@@H]3C(c4ccc(Br)cc4)=Nc4ccc([N+](=O)[O-])cc4N32)cc1 8398038 ILALARCXWHALIM-JBAPTLGWSA-N 465.263 5.330 5 40 JKBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)c([N+](=O)[O-])cc3C)o2)cc1Cl 8831314 WQDJNVOUXGYNMX-UHFFFAOYSA-N 464.330 5.905 5 40 JKBB CCCC(=O)Oc1cn(CCc2ccc(F)cc2)c2nc(CCC)n3c4ccccc4nc3c12 9446237 OKUVUKHZRPKIPZ-UHFFFAOYSA-N 458.537 5.877 5 40 JKBB Cc1ccccc1OCCSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 12546446 RILMCHOBSUOMCY-UHFFFAOYSA-N 473.476 6.432 5 40 JKBB CN(c1ccccc1)c1ccc(/C=C/c2ccc3c4ccccc4ccc3[n+]2-c2ccc(O)cc2)cc1 13133750 ONMOAFPJYHIRGT-UHFFFAOYSA-O 479.603 7.914 5 40 JKBB O=C1c2cc([N+](=O)[O-])ccc2N[C@]1(c1c[nH]c2ccccc12)c1c[nH]c2ccc(Br)cc12 17419297 IGKHGLRADDVBRQ-XMMPIXPASA-N 487.313 5.872 5 40 JKBB COc1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1NC(=O)c1ccco1 59294549 HWDJHTGYLVZTCI-UHFFFAOYSA-N 471.878 5.569 5 40 JKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2c(O)cccc2[N+](=O)[O-])cc1/C=C\c1c(O)cccc1[N+](=O)[O-] 104108620 DOJDRQJGHAJDSO-XOHWUJONSA-N 494.372 5.071 5 40 JKBB Cc1ccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1Cl 408604079 DHKDZIRBIGFPRD-UHFFFAOYSA-N 460.317 5.840 5 40 JKBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc4ccccc4c2)C3=O)c1 408995603 KERFNIGIAVIGRR-UHFFFAOYSA-N 488.455 6.067 5 40 JKBB COC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCCC2 409113829 FXSVXRWFRNUREG-HMMYKYKNSA-N 462.527 5.501 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 409190177 MBHCVYXNNVVEJE-CNHKJKLMSA-N 495.727 7.056 5 40 JKBB CC(C)(C)OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2056114649 PDVHQAWVFTZLBE-ACCUITESSA-N 478.542 5.622 5 40 JKBB COc1ccc(OCc2nnc(SCC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 9146782 CXWZVGOBLDYKJX-UHFFFAOYSA-N 490.541 5.047 5 40 JKBB CCCCC(=O)Oc1cn(-c2ccc(C)c(Cl)c2)c2nc(CCCC)n3c4ccccc4nc3c12 9242789 JFBMGYGUVSZAAO-UHFFFAOYSA-N 489.019 7.226 5 40 JKBB COc1cccc([C@H]2c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3N=C3C(O)=Nc4ccccc4N32)c1 13138507 VHHIKDBIOJWYMH-QHCPKHFHSA-N 480.484 5.339 5 40 JKBB C[C@@H]1CCc2[nH]c3ccc(C(=O)O[C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4C(F)(F)F)cc3c2C1 13163285 SETSMJBACWURFQ-CHWSQXEVSA-N 489.450 5.404 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc(F)cc5)nc4c3)cc2[N+](=O)[O-])CC1 21595919 ZSNARNYDNRNJHJ-UHFFFAOYSA-N 474.492 6.031 5 40 JKBB Cc1ccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl 103764522 KGKGVLITHHMVCX-HSZRJFAPSA-N 468.340 6.602 5 40 JKBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCC)c(Cl)c2)cc1 408569847 JYLSZANLHRSYAZ-LJQANCHMSA-N 497.404 5.790 5 40 JKBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1[N+](=O)[O-] 408640005 HUSZCNXWQLZREM-LJQANCHMSA-N 459.502 5.304 5 40 JKBB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 409197246 ZRDCESBDWRXWFH-FLWNBWAVSA-N 491.572 6.737 5 40 JKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 409335493 JBOYZAMIRKSZKV-VSDWSMLSSA-N 465.303 5.557 5 40 JKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 1401447 ONCYLZNPQIWBKT-UHFFFAOYSA-N 450.447 6.632 5 40 JKBB C[C@H]1CCCC[C@@H]1n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1cccnc1 2618155 OFJUSEIUPROROF-YWZLYKJASA-N 467.551 5.158 5 40 JKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 4014475 ORMJXUAPAYDDNK-UHFFFAOYSA-N 453.282 5.807 5 40 JKBB O=C(Nc1ccc([N+](=O)[O-])cc1[C@@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 5573416 ZDHLPGACZRGMKP-VWLOTQADSA-N 485.521 6.637 5 40 JKBB Cc1cccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)c1 8430749 GXIGJFDXIUTGKO-UHFFFAOYSA-N 452.514 5.081 5 40 JKBB CN(C)c1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 9008994 WGCKGYUFBBLHEK-QYOOZWMWSA-N 473.960 5.302 5 40 JKBB CCCC(=O)Oc1cn(-c2ccc3c(c2)OCO3)c2nc(CCC)n3c4ccccc4nc3c12 9124368 XCKQAZYEDVFVKL-UHFFFAOYSA-N 456.502 5.213 5 40 JKBB O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1cccc2ccccc12 14132048 OAMGFWGJTNNKEZ-YDZHTSKRSA-N 490.924 6.898 5 40 JKBB C[C@@H]1Oc2ccc([N+](=O)[O-])cc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 15134561 CHMLMVVLVGKIDN-PPHZAIPVSA-N 450.494 6.161 5 40 JKBB O=[N+]([O-])c1cccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2Cc2ccc3c(c2)OCO3)c1 8443454 RGNPUDRARNLHNA-NFFVHWSESA-N 499.470 6.153 5 40 JKBB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 8831038 ODNTXMRREVVMQL-UHFFFAOYSA-N 460.515 5.455 5 40 JKBB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 8831882 XSWFFCCZOQFPLV-UHFFFAOYSA-N 462.676 6.616 5 40 JKBB CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 9404560 WYFBQCDVNBAGTO-IZHYLOQSSA-N 460.563 5.362 5 40 JKBB O=C(O[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)c1ccc([N+](=O)[O-])o1 12624349 LPSPSZHMVHQEMR-KRWDZBQOSA-N 468.771 5.397 5 40 JKBB COc1cc(CCC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cc(OC)c1OC 13041951 HGSQDRVQKZBIRO-UHFFFAOYSA-N 469.541 5.546 5 40 JKBB C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)C[C@@H](C)O1 13463905 AOOYUYSVKYMNDD-PHIMTYICSA-N 495.768 5.145 5 40 JKBB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 22576320 YRESQNUVIKGWFC-ONNFQVAWSA-N 465.893 5.067 5 40 JKBB COc1ccccc1-n1c(SCc2cc(=O)oc3cc(C)ccc23)nc2cc([N+](=O)[O-])ccc21 25395884 DHGNICHMNNHAOP-UHFFFAOYSA-N 473.510 5.649 5 40 JKBB CCc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)o1 36636099 BXTAQYXRAXXOCR-DENIHFKCSA-N 468.307 5.755 5 40 JKBB Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(Cl)cc2)cc1 44087615 OFVVSFRYMNAAMF-UHFFFAOYSA-N 478.961 6.140 5 40 JKBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 59294292 CSIOCEIIFBIPHC-UHFFFAOYSA-N 471.517 5.595 5 40 JKBB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1 214242867 HZJAXEOTFWFKJG-VXLYETTFSA-N 458.854 5.884 5 40 JKBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)O)o2)c1 408632114 HKMXLHLSNAGGSB-NDENLUEZSA-N 495.469 5.140 5 40 JKBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3[nH]2)C(=O)O)cc1 408635323 ZGTJKKKJPXCRQX-FYJGNVAPSA-N 463.540 6.149 5 40 JKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)n1 408693808 FBXSNCVITLTCCN-UHFFFAOYSA-N 498.724 5.511 5 40 JKBB CCCc1ccc(-c2cc(=S=NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ss2)cc1 408731680 OVYLRMRJBAWTEA-UHFFFAOYSA-N 452.604 5.524 5 40 JKBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc([N+](=O)[O-])cc4[C@H]4c5ccccc5C[C@H]34)cc2)cc1 408993257 CZBMHTFUGVIZSK-MKYKQAKUSA-N 493.519 6.553 5 40 JKBB O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCCc1ccccc1 409135273 XZBQUIJNVCUBJW-JJIBRWJFSA-N 474.538 5.843 5 40 JKBB O=[N+]([O-])c1ccc(CSc2nnc3c4ccccc4n(Cc4ccc([N+](=O)[O-])cc4)c3n2)cc1 1744934 HTLIYDYJMGVNJO-UHFFFAOYSA-N 472.486 5.137 5 40 JKBB CCOC(=O)c1c(-c2cccc(Br)c2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 2101529 ORBRTNIQJOFHFH-UHFFFAOYSA-N 475.320 5.515 5 40 JKBB Cc1c(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cccc1[N+](=O)[O-] 3764437 XGMSBMGLGWFCGB-RGVLZGJSSA-N 465.443 5.308 5 40 JKBB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 14272330 IXPUHBQODKZAKX-UHFFFAOYSA-N 461.474 5.796 5 40 JKBB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274721 SWGJTDRBYSNMNR-UHFFFAOYSA-N 487.541 5.130 5 40 JKBB Cc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 18099506 ANHUOVXKLSOZPP-DEDYPNTBSA-N 467.403 5.562 5 40 JKBB CC(C)(c1ccccc1)c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 24522645 ICVONAYDZALBEV-UHFFFAOYSA-N 473.956 7.945 5 40 JKBB CC1CCN(c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)cc2[N+](=O)[O-])CC1 57313296 OYNWPFOYDSBFMF-UHFFFAOYSA-N 490.951 5.471 5 40 JKBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 101344803 DBKQJXHBBMHMQY-UHFFFAOYSA-N 455.253 5.927 5 40 JKBB Cc1ccc(Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 102129712 JIAZDBZKLSPYDL-UHFFFAOYSA-N 485.840 5.677 5 40 JKBB CCOc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 103004429 GZPRXIRDYWWBOC-XSFVSMFZSA-N 463.877 5.287 5 40 JKBB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F 224916795 IUJUNNAEZSIYKP-BJKOFHAPSA-N 474.517 5.874 5 40 JKBB CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl 408571177 OBGKYTWRKPLPLU-KRWDZBQOSA-N 487.796 6.045 5 40 JKBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3cccc4ccccc34)sc2c1 408750956 UMMBENZVQUQTKA-UHFFFAOYSA-N 497.557 6.451 5 40 JKBB O=C1S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1CCc1ccccc1 409007779 RIXVCWDYDADLLH-HAHDFKILSA-N 494.956 6.106 5 40 JKBB CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1 409137173 VLVNNLCXFLEKBK-UHFFFAOYSA-N 471.627 5.459 5 40 JKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1Cl 409252569 SRSNPWPUEVKNKZ-OEAKJJBVSA-N 472.953 6.321 5 40 JKBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409373834 ZIIDVDJLRLIAIK-YQORSWRPSA-N 498.844 5.144 5 40 JKBB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[N@]12 2049251945 UZEAWJJXHFUBFP-QBNXERNGSA-N 469.932 5.669 5 40 JKBB CCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C 1814473 ITYFKNBHCLDCTL-IDISGSTGSA-N 485.584 6.688 5 40 JKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc(C)cc4)c(C)nc32)c1 2247055 MSFCNVICTIEIMR-UHFFFAOYSA-N 459.553 5.511 5 40 JKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1nnc(SCc2c(Cl)cccc2Cl)s1 2657342 WJZSZRQPETUOCB-UHFFFAOYSA-N 471.347 5.063 5 40 JKBB CCCOP(=O)(OCCC)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3218973 ACEJUUAMVHQIAA-FQEVSTJZSA-N 454.847 5.723 5 40 JKBB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3c4ccccc4n4c(C)nc5ccccc5c34)c2C)cc1 3426250 SYYOQNGRSMNXQO-ISLYRVAYSA-N 499.618 6.771 5 40 JKBB Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 8685531 BZNYECRBXJYJKV-UHFFFAOYSA-N 494.356 5.044 5 40 JKBB aggregator CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 8898377 VFRICRHTGJVEBJ-UHFFFAOYSA-N 498.992 5.871 5 40 JKBB Cc1nc2c3c4c(sc3n3c(SCc5ccc(Br)cc5)nnc3n2n1)CCCC4 9292283 GYKZMGYWWIVMOS-UHFFFAOYSA-N 485.436 5.229 5 40 JKBB COc1cc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c(C)cc1[N+](=O)[O-] 9545496 PKMIWULSFCRWLU-UHFFFAOYSA-N 495.586 5.011 5 40 JKBB Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 12372199 NKTFNPWRZPNVGT-UHFFFAOYSA-N 454.530 5.299 5 40 JKBB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 12542671 BTKMZPJCBDRUNV-UHFFFAOYSA-N 475.284 5.276 5 40 JKBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] 13941768 XNCSYNOIGOVHMX-UHFFFAOYSA-N 470.800 5.664 5 40 JKBB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 14270854 DQIOULSUDVSZEH-DHZHZOJOSA-N 452.561 5.368 5 40 JKBB COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 16940759 XGGDCOUBUFKJKG-AREMUKBSSA-N 490.452 7.065 5 40 JKBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 22707866 ZUFSOVWFQRVRLR-JXMROGBWSA-N 471.922 5.352 5 40 JKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)o1 214489979 LTPQKDMIBXJOHT-CIAFOILYSA-N 450.472 5.408 5 40 JKBB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 224378092 KSSRULBACFGCLS-UIOOFZCWSA-N 483.597 6.081 5 40 JKBB Cc1ccc2nc(Sc3ccc(/C=C4/SC(=O)N(Cc5cccc([N+](=O)[O-])c5)C4=O)o3)[nH]c2c1 408917900 CMMQGYGFJRIRFZ-YBFXNURJSA-N 492.538 5.760 5 40 JKBB CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1cccc(C)c1 409128015 IGDSDYLTIOSXHA-UHFFFAOYSA-N 480.575 5.036 5 40 JKBB