smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1[N+](=O)[O-] 4979969 KIBSOVFSTQFVDG-UHFFFAOYSA-N 406.825 5.408 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(-c2ccccc2)nn(-c2ccccc2)c1Cl 9090226 FKFOSTVHUSVMMM-UHFFFAOYSA-N 418.840 5.353 5 40 HKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)c1 2306727 SGKCDQZZLCYDOH-UHFFFAOYSA-N 423.520 5.406 5 40 HKBB Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(Cl)cc1 5202145 ROEHPYIOQPQKPZ-UHFFFAOYSA-N 401.897 6.087 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1C(F)(F)F 5869291 MYHVLQJQOPMVDF-ZRDIBKRKSA-N 402.328 5.526 5 40 HKBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)Nc1ccc(F)cc1 35313215 DCYBQOBVZWTSAZ-UHFFFAOYSA-N 420.494 5.263 5 40 HKBB Cc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3ccccc3c2=O)c1 101351183 FDWTWAVIPOTEFV-UHFFFAOYSA-N 416.458 5.397 5 40 HKBB COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1O 2312011 UEZCBXVDBWYLOM-UHFFFAOYSA-N 401.422 5.342 5 40 HKBB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)c2O1 15881143 PYDYVOTYVODEKM-UHFFFAOYSA-N 418.449 5.140 5 40 HKBB Cc1cc2oc(=O)cc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c2cc1C(C)C 23042621 FPDJWKVVFAGLMX-UHFFFAOYSA-N 414.889 5.418 5 40 HKBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3c4ccccc4cc4ccccc34)N21 260774974 OMJMKZRTNLFTNS-NGXZDTIWSA-N 409.558 6.367 5 40 HKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2c(Cl)cccc12 4474678 UXPGTTRNGBYAOQ-UHFFFAOYSA-N 403.825 5.716 5 40 HKBB COc1ccccc1-c1cnoc1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1O 9129576 JSMAFAHTMVLYLV-UHFFFAOYSA-N 418.405 5.210 5 40 HKBB COc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc2ccccc2c1Br 9427036 PZJMTDYWHXIUSM-UHFFFAOYSA-N 415.243 5.080 5 40 HKBB COC(=O)c1sc2ccccc2c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 11852792 FKHVRVAOYOIMBW-UHFFFAOYSA-N 412.448 5.063 5 40 HKBB CC1CC[N+](Cc2ccccc2)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 226072294 BGVJPCDHGRNAKY-IPEXIJNSSA-N 416.585 5.540 5 40 HKBB O=Cc1ccc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 408559411 ZRLLIESMPGMYHA-UHFFFAOYSA-N 414.446 5.078 5 40 HKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1C 408574507 UZRFDNSSWQTHSX-OAQYLSRUSA-N 410.543 5.426 5 40 HKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)oc2c1 868813 HVWNJSWVLVHBBX-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc(Nc3ccc(Br)cc3)c3ccccc3n2)c1 1825924 MOCGPCFPSPMRBT-UHFFFAOYSA-N 421.254 5.711 5 40 HKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)c1 2256866 CSWSQMWBLYFHRW-UHFFFAOYSA-N 423.520 5.324 5 40 HKBB O=[N+]([O-])c1ccccc1/C=C/c1nc2c(C(F)(F)F)cccc2c2c1CCS2 4052167 UJAOZPBJMQVBEV-CMDGGOBGSA-N 402.397 5.980 5 40 HKBB Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1 4932088 JXEORZRSHJUJAN-UHFFFAOYSA-N 411.852 5.489 5 40 HKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 6281636 YPHAQHLVWUIZER-UHFFFAOYSA-N 415.453 5.013 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(Cl)cc3)o2)c(Cl)c1 7524620 AUUSDPBEIBSLPB-UHFFFAOYSA-N 406.269 5.363 5 40 HKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1F 408565897 DDKNOXHYBUGXHX-FQEVSTJZSA-N 420.440 5.303 5 40 HKBB CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1 408577812 ZZLUKDGRUOWHAT-QFIPXVFZSA-N 416.477 5.554 5 40 HKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409018836 ZLYCMSIIYMGVKF-BXUJETTOSA-N 412.467 5.009 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1 6896805 UOSFLYVKTRYKBN-UHFFFAOYSA-N 406.442 5.274 5 40 HKBB O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(c2ccc(O)cc2)CC1 69709657 COWONFGJMLIUDA-UHFFFAOYSA-N 418.449 5.113 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccccc2)cc1 409111093 BQHOVSKWWUNNTC-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1Cc1ccccc1 5329445 VXFZZGQMGNGUOF-UHFFFAOYSA-N 417.248 6.103 5 40 HKBB COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)ccc1O 79486558 ZJIXJPDHOVHLKG-UHFFFAOYSA-N 419.437 5.012 5 40 HKBB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 216452814 ICORLJCFECAMBG-JWGRYVKWSA-N 400.478 5.630 5 40 HKBB CCOc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409118115 OWGMCJDJVCELBZ-UHFFFAOYSA-N 409.398 5.306 5 40 HKBB CC(C)C(=O)Oc1cn(C2CCCC2)c2nc(C(C)C)n3c4ccccc4nc3c12 13238091 RDCJXZJFHBAOAO-UHFFFAOYSA-N 404.514 5.637 5 40 HKBB COc1cc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc([N+](=O)[O-])c1O 100717274 UTNBHTQHSDUNFB-FQEVSTJZSA-N 409.442 5.180 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2cccc3ccccc23)cc1)c1c[nH]c2ccccc12 408565545 CGSXRDWDZVJNJH-SANMLTNESA-N 422.484 6.309 5 40 HKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)c1 2256698 MKDJLGSIFQGVIV-UHFFFAOYSA-N 423.520 5.270 5 40 HKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1c(F)cccc1Cl)CO2 61997696 RLWBVWMVAWYIHG-UHFFFAOYSA-N 409.844 5.399 5 40 HKBB biogenic CCCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225508174 XVTRDRCXQSSJDJ-UHFFFAOYSA-N 410.514 5.841 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 408993938 DUNHFIUEBQNUEX-TXLPYQEJSA-N 420.512 7.198 5 40 HKBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Oc2ccccc2)cc1 3146432 BZLHRDZPUAWFQH-UHFFFAOYSA-N 410.385 5.341 5 40 HKBB COc1ccc(Nc2[nH]c(=O)c3ccccc3c2Sc2ccccc2[N+](=O)[O-])cc1 3207267 CFGULETUENQEDD-UHFFFAOYSA-N 419.462 5.340 5 40 HKBB Cc1cc(C)cc(N(C(=O)c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3s2)c1 13150241 OHIBAEOJKQQWIV-UHFFFAOYSA-N 421.453 5.939 5 40 HKBB CCN(CC)c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccc(Cl)cc1 59490025 SNQLCUOMMCFGLZ-NRFANRHFSA-N 403.910 5.016 5 40 HKBB CC[C@H](CO)Nc1nc2cc(Br)ccc2c2ccc(Br)cc12 16980531 OMXCYYDRTRHWFZ-GFCCVEGCSA-N 424.136 5.096 5 40 HKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2cc(Cl)ccc2c1Cl 17093780 FWBNFNPAKIJZHG-UHFFFAOYSA-N 424.290 5.978 5 40 HKBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 19880699 XBCGZJYUOFIDOY-GMAHTHKFSA-N 419.868 5.665 5 40 HKBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)Nc1ccccc1F 35313355 BJGBKEPTUQIEBV-UHFFFAOYSA-N 420.494 5.263 5 40 HKBB CCOP(=O)(OCC)[C@@H](Nc1ccc(C(C)C)cc1)c1ccc([N+](=O)[O-])cc1 4045868 TUQRLCBTVICWRE-HXUWFJFHSA-N 406.419 6.095 5 40 HKBB CCCCCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 8828372 BMXGEFYSYJTCAO-UHFFFAOYSA-N 420.429 5.043 5 40 HKBB Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12560210 UEWSWNFDXNOKNG-INIZCTEOSA-N 410.783 5.202 5 40 HKBB Cc1ccc(C[N+](C)(C)C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 226068889 IJIKRFNPUHZPBG-XMMPIXPASA-N 412.638 5.725 5 40 HKBB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 409176835 YZNMHKGSFUAXLB-NRFANRHFSA-N 409.825 5.338 5 40 HKBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@@H](C)CC)cc1 2244861 YWSDKFDWIZBBMI-INIZCTEOSA-N 411.509 5.207 5 40 HKBB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1cc(=O)oc2ccc3ccccc3c12 2657658 NEKFMRUCMBURIA-DHZHZOJOSA-N 424.374 5.722 5 40 HKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 5151765 SMUWMLIEUPRGSF-CYBMUJFWSA-N 417.900 5.216 5 40 HKBB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])cc1 102486405 CFFSLJFAGXYOKC-QFIPXVFZSA-N 405.454 5.407 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCc1ccccc1 409004918 CEHZFNIZXNXQQU-ZHZULCJRSA-N 420.446 5.134 5 40 HKBB CCCCCC1CCC(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 4322152 BILFBWZSPUAQID-UHFFFAOYSA-N 419.525 7.166 5 40 HKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 4906092 BLADRRUNFIWHDC-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 409051347 LAXJEGBVZJRTMN-UHFFFAOYSA-N 407.476 5.699 5 40 HKBB CC(C)Nc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(C3CC3)c21 36612834 TURXUUHOMPMINE-UHFFFAOYSA-N 406.483 5.383 5 40 HKBB Cc1cccc(C(C)C)c1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409252175 CGSYMLVIKOXZDK-XQNSMLJCSA-N 400.478 6.206 5 40 HKBB O=Cc1ccc(-c2ccc3ccc4c(-c5ccc(C=O)cc5)ccc5ccc2c3c54)cc1 1987972959 BRCRRFATSAHBCW-UHFFFAOYSA-N 410.472 7.543 5 40 HKBB c1ccc(SCc2c3ccccc3c(CSc3ccccn3)c3ccccc23)nc1 2185061 GEEZGPDQMRSMEM-UHFFFAOYSA-N 424.594 7.368 5 40 HKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 4783878 XWKIIVDMLXYSFX-JPISGYTDSA-N 411.527 5.577 5 40 HKBB Cc1cccc(N(C(=O)C2CCCC2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 7778845 IVIVGMQXMGVPRQ-UHFFFAOYSA-N 407.495 5.882 5 40 HKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(C)c1 224389230 FTADSPZVTLCYFM-UHFFFAOYSA-N 420.465 5.442 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408575876 WYVQCQZMFYADPG-HXUWFJFHSA-N 424.859 5.948 5 40 HKBB O=C(NC(c1ccccc1)c1ccccc1)OCc1c2ccccc2cc2ccccc12 1566128 KVCKCCCCCXMACE-UHFFFAOYSA-N 417.508 7.009 5 40 HKBB Cc1ccc(-c2[nH]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)C3=O)cc1 17206435 ZLHZWPLUEANMET-QHCPKHFHSA-N 410.433 5.043 5 40 HKBB Cc1cc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)ccc1[N+](=O)[O-] 20610557 GYSLHIXKXNFBSX-UHFFFAOYSA-N 415.453 5.013 5 40 HKBB CCCCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc(C)c1C 32895008 YBFONAYTYYHUPW-CQSZACIVSA-N 401.492 5.112 5 40 HKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1 4785278 DGSVEDOCSKCXRI-IJZXMWNXSA-N 411.527 5.577 5 40 HKBB O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 16545985 YCBPTSHTUFATMX-UHFFFAOYSA-N 420.277 5.700 5 40 HKBB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 103114771 DVVOTUXKOYRRNA-HRQSHJORSA-N 417.509 5.448 5 40 HKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1[N+](=O)[O-] 408619253 AQYYAKNCOOTASX-JXMROGBWSA-N 403.221 5.814 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(C(Cl)=Cc2ccccc2)cc1/C=C\c1ccccc1 2049243826 DYSQENXWMXGQJH-HMBJANHQSA-N 406.825 6.410 5 40 HKBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc2ccccc2c1 704727 IPBZQMRGOBJNBB-UHFFFAOYSA-N 410.385 5.341 5 40 HKBB Cc1cc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)ccc1Br 2125217 RQVDMVNZUOCUMW-UHFFFAOYSA-N 422.278 5.374 5 40 HKBB biogenic CC(/C=C/c1ccc2ccccc2c1)=C\C(=O)OC[C@H]1CCC[N+]2(C)CCCC[C@@H]12 5638441 UUCPKRZOLZKWCY-LFPVWVRTSA-N 404.574 5.752 5 40 HKBB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225536446 OOJNNIIWFHJCBE-UHFFFAOYSA-N 408.498 5.757 5 40 HKBB Nc1cc(C(=O)OCc2c3ccccc3cc3ccccc23)ccc1Br 226331701 GBOCMNCQCDFTDA-UHFFFAOYSA-N 406.279 5.695 5 40 HKBB CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 22311837 JVPGPGYZNRYKNT-UHFFFAOYSA-N 423.391 5.122 5 40 HKBB CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 408562504 QJDNCUZMNFGFDU-XDOYNYLZSA-N 415.902 5.102 5 40 HKBB CCc1ccc(-c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)sc2CC)cc1 2964198 BFXCBGUESATBJO-UHFFFAOYSA-N 406.463 5.617 5 40 HKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2400458 IDHLAWRRYABBFW-MRXNPFEDSA-N 411.509 5.180 5 40 HKBB COc1ccc(-c2c(C)c3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3oc2=O)cc1 4340586 PQNGRQFIJQYQFF-UHFFFAOYSA-N 417.417 5.264 5 40 HKBB biogenic Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1Cl 17082075 SIGZJSUBAAYTCF-RMKNXTFCSA-N 400.793 5.608 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@H](c3c4ccccc4cc4ccccc34)C(O)=C1N2 104240078 JABAQGCUEJXHIF-HSZRJFAPSA-N 409.401 5.898 5 40 HKBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 222712144 JQDGKLMCTYOLJR-PUCZYUMASA-N 420.494 5.229 5 40 HKBB COc1ccc(-c2nc3ccccc3s2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409267601 OLPBFSUAPAFBMG-UHFFFAOYSA-N 423.406 5.581 5 40 HKBB CC1(C)C[C@](C)(c2ccccc2)c2ccc(N)cc2N1C(=O)c1ccc([N+](=O)[O-])cc1 2288851 CUBFUPWHSJECFM-RUZDIDTESA-N 415.493 5.312 5 40 HKBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc(OCc2ccccc2)c1 4678533 XDKTUTCOCCFKEA-UHFFFAOYSA-N 414.465 5.186 5 40 HKBB O=[N+]([O-])c1cccc(-c2csc(-c3ncc(-c4cccc([N+](=O)[O-])c4)s3)n2)c1 44827476 YVBSUWBIMQSMCJ-UHFFFAOYSA-N 410.436 5.417 5 40 HKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccc(C)cc3)[nH]c3ccccc23)cc1OC 939128 CBXYSELUFFUTQX-HXUWFJFHSA-N 416.477 5.569 5 40 HKBB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc([N+](=O)[O-])s1 3187577 RQJLPKHWPWKOQA-UHFFFAOYSA-N 400.268 5.339 5 40 HKBB O=C(CSCc1nc2ccccc2c2ccccc12)Nc1ccc2ccccc2c1 5590387 AUZKJYAQVCANEE-UHFFFAOYSA-N 408.526 6.413 5 40 HKBB CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 10187559 SIRMXYCDVCGSPF-UHFFFAOYSA-N 424.507 5.070 5 40 HKBB CSCC[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 12549717 ILDPTSKMNDNIMJ-HNNXBMFYSA-N 410.421 5.396 5 40 HKBB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 17088362 ZCXLGEPMNJAZQM-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 3252425 XOUBZEMFSDZEEU-CCEZHUSRSA-N 410.433 5.099 5 40 HKBB Cc1ccccc1-n1c(C)nnc1SCc1cc(=O)oc2ccc3ccccc3c12 3424502 OFZMXXWHHXSYSX-UHFFFAOYSA-N 413.502 5.436 5 40 HKBB COc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(-c5ccccc5)ccc4o3)sc2c1 57352606 NNNQOXPEESGCNO-UHFFFAOYSA-N 418.434 5.765 5 40 HKBB CCCCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 408733241 GYIHLDZHWDQPTK-QHCPKHFHSA-N 401.466 5.709 5 40 HKBB CCCCn1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 2206101 OHSIALNSVRIBBK-UHFFFAOYSA-N 420.557 5.787 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(Cl)cc1 224160610 AEJHINNUSNRAAH-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Cl)c2)cc1 2284913 BUJUBUCFFJUGLQ-UHFFFAOYSA-N 401.813 5.197 5 40 HKBB Cn1c(-c2ccccc2)c([C@@H](C[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)c2ccccc21 2708460 CFNRVGJVFNBQMA-FQEVSTJZSA-N 424.422 6.273 5 40 HKBB Cc1ccc(-c2nc3c4ccccc4oc3c3c2c(=O)oc2c(C)c(C)ccc23)cc1 11865275 UEFRIPJNFYAFEO-UHFFFAOYSA-N 405.453 6.833 5 40 HKBB biogenic COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C 224104291 XCDSEQOSMMSXAA-UHFFFAOYSA-N 406.438 5.052 5 40 HKBB O=C(Nc1cccc(Br)c1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408977661 XOWKMLQAFQGUSP-UHFFFAOYSA-N 417.266 5.279 5 40 HKBB O=[N+]([O-])c1ccc(Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)nc1 1405976 GEAYNTCKUUXXGJ-UHFFFAOYSA-N 409.751 5.440 5 40 HKBB C[N+]12CCCC[C@H]1[C@@H](COC(=O)c1ccc(CSCc3ccccc3)o1)CCC2 4028768 JICURWIMSUPWMV-BOQQILRGSA-N 414.591 5.279 5 40 HKBB COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(C)cc3)c12 4970010 FBFDYKNEGFETSU-UHFFFAOYSA-N 410.433 5.466 5 40 HKBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ncc(Cl)cc1Cl 58987470 CQHOKIQCDJKVLJ-UHFFFAOYSA-N 418.236 5.270 5 40 HKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 214054125 CYLZZWVGTSJEDN-UDWIEESQSA-N 420.446 5.400 5 40 HKBB O=C(OCc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 3105627 JCZKMNQBUBOGBP-UHFFFAOYSA-N 418.232 6.051 5 40 HKBB CCN1c2ccccc2S[C@@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 226864176 DEIRMFCAKAMICZ-KRWDZBQOSA-N 405.273 5.049 5 40 HKBB O=C(Nc1ccccc1SCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 6017353 URGJSPFDSBVPQQ-UHFFFAOYSA-N 404.451 5.016 5 40 HKBB O=C(Nc1cccc2c1[nH]c1c(-c3ccccc3)nccc12)c1ccccc1[N+](=O)[O-] 12952990 AHKQFRJCCPDNGG-UHFFFAOYSA-N 408.417 5.544 5 40 HKBB CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 59475011 YEBQNUAWAULWAX-UHFFFAOYSA-N 416.890 5.317 5 40 HKBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222990601 XMMOTNYVXPEIAM-SFTDATJTSA-N 422.510 5.022 5 40 HKBB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408914753 XKIZHXYUDIZYJA-UHFFFAOYSA-N 409.423 5.048 5 40 HKBB O=C(Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)C1CCCCC1)C1CCCCC1 5771028 AGFXZLGHZSIJBG-UHFFFAOYSA-N 415.515 5.364 5 40 HKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3c(-c4cccs4)cnc2c31 6624383 DYRKNPNNSJPCHR-UHFFFAOYSA-N 412.470 5.338 5 40 HKBB biogenic C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 17265240 VZRKBVLWEDBLTH-FYYLOGMGSA-N 419.868 5.665 5 40 HKBB COc1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc([N+](=O)[O-])cc2)(C4)C3)cc1 28467219 ZOOGGENQNHGWDJ-UPFYTXMWSA-N 406.482 5.080 5 40 HKBB O=c1c(-c2ccc(Br)cc2)c2[nH]c3ccccc3nc-2c2ccccc12 100742184 LYTFXYAJHISCAN-UHFFFAOYSA-N 401.263 5.611 5 40 HKBB biogenic O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1C(=O)c1ccccc1 6222744 DODCEHCQKASKPK-PXLXIMEGSA-N 409.466 5.870 5 40 HKBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2C1CCCCC1 50479723 NFILAQWWBPXAKE-UHFFFAOYSA-N 401.514 5.223 5 40 HKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 841503 CCTMYLKCMYAVJC-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 8112631 ZXTOGNRMSRUVKN-UHFFFAOYSA-N 406.419 5.099 5 40 HKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(OCc2ccccc2)cc1 8381270 ANJYUSSCBZNNQC-UHFFFAOYSA-N 405.435 5.036 5 40 HKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 13946127 OSVALBIOSVADKV-UHFFFAOYSA-N 415.453 5.013 5 40 HKBB Cc1ccc(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 48304299 KKFRNTSPMLJIKP-INIZCTEOSA-N 404.422 5.074 5 40 HKBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(-c2ccccc2)cc1 1821991 FEEYJHCRCBCYME-UHFFFAOYSA-N 419.440 6.664 5 40 HKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC(C)C 2436330 TZKBQWQBWIOOQW-UHFFFAOYSA-N 405.546 5.229 5 40 HKBB O=C1S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N1c1ccc(Cl)cc1 16525753 NOPGZUHOTDUYFU-HMAPJEAMSA-N 415.901 6.887 5 40 HKBB C[C@@]12CC3CC(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)(C1)C[C@](C)(C3)C2 41107599 MDPXVKUNUJCGDY-JHOYHXADSA-N 418.946 5.942 5 40 HKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1Br 408994054 YEHJKIUUMPRYNK-UHFFFAOYSA-N 420.288 5.004 5 40 HKBB O=[N+]([O-])c1c(-c2cn(-c3ccc(Cl)cc3)nc2C(F)(F)F)ccc2ccccc12 3048960 MEUYJYCARLORSZ-UHFFFAOYSA-N 417.774 6.273 5 40 HKBB Cc1cc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc(C)c1Cl 72229522 LVRRODGBYAWCOB-UHFFFAOYSA-N 403.649 5.189 5 40 HKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 106701787 RVCBRVXEHYCREX-NDENLUEZSA-N 420.446 5.400 5 40 HKBB CCc1ccc(CC)c(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 224639566 SUQAPBIGCDHSCV-KOEQRZSOSA-N 414.505 5.577 5 40 HKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1OC 945470 CIRDTDNYDILTSP-LJQANCHMSA-N 402.450 5.261 5 40 HKBB Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084862 CTLCAIPBNOGHEZ-VGOFRKELSA-N 401.466 5.495 5 40 HKBB CC(C)C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 30856594 WNNYFYQBRGECIX-GBOLQPHISA-N 414.505 6.039 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)c(C)c1 224292786 YKJFVFBTKWBSBB-UHFFFAOYSA-N 406.438 5.052 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(OC(F)F)cc1)c1c(-c2ccccc2)cc2ccccn12 3205733 HCIOOBDLVHAPRE-NRFANRHFSA-N 408.404 5.616 5 40 HKBB O=[N+]([O-])c1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(ccc4ccccc43)n2)c1 10372588 VWHAZUWNJVWEBW-UHFFFAOYSA-N 421.412 6.538 5 40 HKBB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)c(OC)c1 96114014 RADSQGVAMSLQBO-UHFFFAOYSA-N 403.438 5.301 5 40 HKBB biogenic CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 4850398 PIARZKXOKUYUKZ-UHFFFAOYSA-N 423.517 5.023 5 40 HKBB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cc(Cl)ccc1[N+](=O)[O-] 9373267 LVECYKXWAMEYDU-UHFFFAOYSA-N 415.830 5.425 5 40 HKBB O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1Cl 13945513 SNGCDXFXRUKXSV-UHFFFAOYSA-N 423.881 5.455 5 40 HKBB Cc1ccc(C)c(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc23)c1 16291394 KUGPGQVIBIVNFU-UHFFFAOYSA-N 406.533 6.310 5 40 HKBB CNc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1[N+](=O)[O-] 33594006 QHDWECAIKOLCPF-LKKYZFDUSA-N 403.438 5.006 5 40 HKBB Clc1cc2cc(Cl)c3c(Cl)c(Cl)cc4cc(Cl)c(c1Cl)c2c43 49625280 MSJYWYWKOYUGEW-UHFFFAOYSA-N 408.926 8.504 5 40 HKBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 208500359 ANBVTLKTGOJRCV-UNOMPAQXSA-N 422.418 5.104 5 40 HKBB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 222712347 JQDGKLMCTYOLJR-LVXYXVKQSA-N 420.494 5.229 5 40 HKBB CC(C)(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Cc1ccc(C(C)(C)C)cc1 4714397 QOQZGKCSULCORM-UHFFFAOYSA-N 414.458 5.226 5 40 HKBB CC[P@@](=Nc1cccc([N+](=O)[O-])c1)(c1c(C)nn(-c2ccccc2)c1C)N(C)C 5445378 PPDOJCRFYPLYSQ-LJAQVGFWSA-N 411.446 5.052 5 40 HKBB Cc1ccc(C23C[C@@H]4C[C@H](CC(CNC(=O)c5cccc([N+](=O)[O-])c5)(C4)C2)C3)cc1 100846474 OROCMJWJFXEWJI-WWVRUBFXSA-N 404.510 5.171 5 40 HKBB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 205679467 VQXWKYIESZNUPC-BXUJETTOSA-N 412.467 5.009 5 40 HKBB COc1cc2c(cc1-n1c(=O)c3ccccc3c3ccccc3c1=O)-c1ccccc1C2 1717019 MICRXZNHGSKNAR-UHFFFAOYSA-N 417.464 5.084 5 40 HKBB O=C(Nc1ccccc1C(F)(F)F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4680004 RBDUMHUPANWTGO-NBVRZTHBSA-N 412.367 5.793 5 40 HKBB CC(C)(C)c1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccc(F)cc2)c(C(C)(C)C)c1 226070745 SYRVHTFNYRRPNF-QFIPXVFZSA-N 416.601 5.437 5 40 HKBB COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 248330272 FHZDGUSPLSRXEE-HKKHYUGTSA-N 406.482 5.295 5 40 HKBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2737374 BRBZYUPDPFICAF-UHFFFAOYSA-N 409.254 5.669 5 40 HKBB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 58085025 SYFYGZBGMXWRBB-SJKOYZFVSA-N 422.403 5.064 5 40 HKBB Cn1c2cc(Cl)c(Cl)cc2nc2cc3c(cc21)c(Cl)c(=O)c1ccccc13 5389916 LSLXJLCIXZVGJV-UHFFFAOYSA-N 413.691 6.353 5 40 HKBB CCCOc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 11617444 QFJALJITTRMKGL-UHFFFAOYSA-N 417.874 5.413 5 40 HKBB Cc1ccc(CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 214508860 IBGMBLORCOHFEV-BUVRLJJBSA-N 409.510 6.538 5 40 HKBB O=C(c1ccccc1Cl)c1cc(Cl)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 3176847 BPUGBBCSHKJEHD-UHFFFAOYSA-N 415.232 5.385 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1N1CCCC1 7388609 QQRQCDUUIMWPQM-WYMLVPIESA-N 403.438 5.107 5 40 HKBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 18044968 QGSYUUIMGQAMCQ-UHFFFAOYSA-N 420.406 5.032 5 40 HKBB O=[N+]([O-])c1cccc(C2=CSC3=NN=C(c4ccccc4)[C@H](c4ccccc4)N23)c1 102821714 UBPOYUSQLBLECJ-QFIPXVFZSA-N 412.474 5.457 5 40 HKBB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CCO[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C2 217479369 VZERPTZRZSESNZ-XCMNAJHXSA-N 406.675 5.526 5 40 HKBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3C)nc2c1 826448 RHXUPFRGZDFMQB-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB O=c1c2ccccc2sc2nc(-c3ccc(Cl)cc3)n3c4ccccc4nc3c12 9002149 SRKSDHKGKNEKGZ-UHFFFAOYSA-N 413.889 5.931 5 40 HKBB C[C@@H]1CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc21 1301497 RCYNDAWMERDRRT-GFCCVEGCSA-N 414.914 6.396 5 40 HKBB Cc1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 3092876 QXCHQXBSJJFSJL-UHFFFAOYSA-N 415.276 6.057 5 40 HKBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Cl)c(Cl)c1 9491529 KNKNKOQXPQANSZ-SNVBAGLBSA-N 416.692 5.014 5 40 HKBB COc1ccc(C)cc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 4906211 SLWUDTNWSYMEIA-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB CC(C)(C)[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCCCC1 5496500 KWDLYFFKYXFGEC-NDEPHWFRSA-N 400.463 5.738 5 40 HKBB O=[N+]([O-])c1ccc([C@@H](O)Cn2c(-c3ccccc3)csc2=Nc2ccccc2)cc1 254706123 LIEFKALAPHUTRD-QFIPXVFZSA-N 417.490 5.091 5 40 HKBB Cc1cc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2cc1Cl 10490679 AYGIPBPXWWTHNO-UHFFFAOYSA-N 413.842 5.679 5 40 HKBB O=C(O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492260 MXXNRVXQHOFXPD-UHFFFAOYSA-N 418.430 5.766 5 40 HKBB Cc1ccc(-c2sc(NC(=O)c3ccco3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408833957 KQEKXTXZFRYMJX-UHFFFAOYSA-N 405.435 5.539 5 40 HKBB Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1cccc([N+](=O)[O-])c1 1901888 UUXJYXWJZWMDFN-AREMUKBSSA-N 414.505 6.038 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 2324076 VRPOWLVESXVJOZ-UHFFFAOYSA-N 413.462 5.145 5 40 HKBB Cc1sc2nc(CN3CCC(C)CC3)nc(Oc3ccccc3[N+](=O)[O-])c2c1C 3444951 IZELUAUJQLMJBK-UHFFFAOYSA-N 412.515 5.241 5 40 HKBB Cc1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 4144595 AISAKCKTNZOTLK-UHFFFAOYSA-N 402.479 5.443 5 40 HKBB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccccc1[N+](=O)[O-] 10423268 IJQNHPPNKWNGJM-UHFFFAOYSA-N 408.364 5.259 5 40 HKBB CCCN1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O 408995241 LKOWMLKYKKPJDK-UHFFFAOYSA-N 409.829 5.151 5 40 HKBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c2ccccc2cc2ccccc12 3352124 KSEATHHLEFBJKP-UHFFFAOYSA-N 415.401 5.125 5 40 HKBB O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 4267889 DMUDOTKFPBOSNX-UHFFFAOYSA-N 421.453 5.502 5 40 HKBB O=C(Nc1ccccc1)c1cc(Sc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O 16489735 SGOIADBDWBYXGU-UHFFFAOYSA-N 416.458 5.857 5 40 HKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1 17092823 BSCTZVRQITUIBR-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2c(Cl)cccc12 17092086 VLTFTSYMIGQYJI-UHFFFAOYSA-N 420.277 5.182 5 40 HKBB Cc1c(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)cccc1[N+](=O)[O-] 408633597 KSBIDCOITSOFGX-ODLFYWEKSA-N 421.434 5.257 5 40 HKBB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409115055 ICTLOXJCFZQTII-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2708412 MFELYSNKOJZKIN-IBGZPJMESA-N 411.288 6.550 5 40 HKBB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 20436718 NPTJNJMBQHYAGK-UHFFFAOYSA-N 415.474 5.423 5 40 HKBB CC(C)n1ncc2c(-c3cc4ccccc4[nH]c3=O)c3oc4cc(O)ccc4c3nc21 96115018 NLXADPYHFABIAT-UHFFFAOYSA-N 410.433 5.126 5 40 HKBB biogenic CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 408561312 HQGJDHMNZLVNFF-FCQUAONHSA-N 409.511 5.147 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CNc2ccc(F)cc2)cc1 409201792 PXIODYQLNIVHEQ-UHFFFAOYSA-N 402.425 6.078 5 40 HKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1Cl 2344717 KVJIFOKOXWAXDA-CYBMUJFWSA-N 417.900 5.216 5 40 HKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1Cl 4681066 QWBVLCRSZWBFGW-NVNXTCNLSA-N 409.250 5.138 5 40 HKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3Oc3ccccc3)nc12 11617208 FJUJORYWGRROLU-UHFFFAOYSA-N 421.434 5.258 5 40 HKBB Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)c([N+](=O)[O-])n1 15163727 RDJVSJQAAONZIO-UHFFFAOYSA-N 419.466 5.036 5 40 HKBB CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(C)cc1 20041684 KWWZLJQQTHXKBV-YVJFHRMNSA-N 400.478 5.711 5 40 HKBB O=[N+]([O-])c1cccc(-c2csc(-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2)c1 1809613 NZFBWIZQOZHKOL-UHFFFAOYSA-N 410.436 5.417 5 40 HKBB Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4063486 TXGWRQDWWDGWKO-JOCHJYFZSA-N 416.506 5.451 5 40 HKBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccco2)c1Sc1ccccc1[N+](=O)[O-] 2718511 DNYSLOVVFKISAM-UHFFFAOYSA-N 421.434 5.052 5 40 HKBB Cc1ccc(-c2nn(Cn3cc([N+](=O)[O-])cn3)c(-c3ccc(C)c(C)c3)c2C)cc1C 2733418 DLFCTLNCPQVDNI-UHFFFAOYSA-N 415.497 5.370 5 40 HKBB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1ccccc1 5217093 NRHODLQXJWGMRZ-PTJMHOJZSA-N 409.485 5.635 5 40 HKBB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 6221150 FCUDVABEWGSHPG-UHFFFAOYSA-N 403.221 5.946 5 40 HKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(F)cc2)c1 44087153 PFRCLMRPZPYSCS-UHFFFAOYSA-N 423.444 6.018 5 40 HKBB Cc1cccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 409119117 VWPNRXIETKAUGC-UHFFFAOYSA-N 402.372 6.326 5 40 HKBB O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 4320313 DVVOTUXKOYRRNA-JYWFKMLOSA-N 417.509 5.448 5 40 HKBB O=[N+]([O-])c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)o1 5445412 YXPYBBHZKWQBHR-UHFFFAOYSA-N 405.460 5.996 5 40 HKBB Cc1c(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cccc1[N+](=O)[O-] 7956622 DADRNCOWQUPGLB-UHFFFAOYSA-N 410.430 5.003 5 40 HKBB COc1cccc(Nc2nc(Nc3cccc4ccccc34)nc(C)c2[N+](=O)[O-])c1 5587294 YSBYGJLCHLXWGM-UHFFFAOYSA-N 401.426 5.342 5 40 HKBB C[C@H](Oc1ccc(Cl)cc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12903632 YVKKEYCMRDNNNM-VIFPVBQESA-N 424.638 5.201 5 40 HKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 20453587 WTDMYDVQHZKPLQ-UHFFFAOYSA-N 424.478 5.027 5 40 HKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1 22635051 PAXGCLVHXYMVGB-VOJFVSQTSA-N 415.515 5.332 5 40 HKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] 72229239 ZYOSQOBWYXKILT-LBPRGKRZSA-N 408.285 5.533 5 40 HKBB Cc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C 223400323 DCLNNBJAPSBAEU-UVPCLOGWSA-N 414.505 5.938 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3)c(Br)c2)c1 408555747 IFQBIJIIAMBIMK-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccc(Br)cc2)o1 2266409 IZYZJUJWJYDPBR-UHFFFAOYSA-N 419.234 5.426 5 40 HKBB COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 4970057 IVVQEDNWQPUNMU-UHFFFAOYSA-N 410.433 5.466 5 40 HKBB Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cccc1[N+](=O)[O-] 17093714 ONXCBDLNSXZYDP-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Cl)cc1 106687452 RGPDNCXRPMZCDR-NVNXTCNLSA-N 409.250 5.138 5 40 HKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Br)c1 409196202 XNESBYBUSBJDAI-UHFFFAOYSA-N 401.241 5.894 5 40 HKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)c1 2302863 FRUJJLZZHAXHHN-UHFFFAOYSA-N 409.493 5.097 5 40 HKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 408603158 AZDZHVVSHOKRAI-UHFFFAOYSA-N 412.873 5.756 5 40 HKBB Cc1ccc2sc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 826456 FQDZLXCBDNDFEA-UHFFFAOYSA-N 403.463 5.741 5 40 HKBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCCCC1 5506290 SZBIDGWXMNGXJH-IBGZPJMESA-N 416.861 5.052 5 40 HKBB CC(C)c1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229127 MKEYHCHSTUIZOJ-UHFFFAOYSA-N 415.921 6.369 5 40 HKBB C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H](c1ccccc1)[C@@H]2[N+](=O)[O-] 104155597 NRHODLQXJWGMRZ-RJXYDRFNSA-N 409.485 5.635 5 40 HKBB O=C(Nc1cccc(Br)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408924718 LTUZLTVMDODSKJ-DEDYPNTBSA-N 423.266 5.537 5 40 HKBB O=C(CSc1nc2ccccc2s1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409412246 BRRUHRXWGIWCNP-UHFFFAOYSA-N 414.295 5.242 5 40 HKBB COc1ccc(Nc2nc(Nc3cccc4ccccc34)nc(C)c2[N+](=O)[O-])cc1 5360803 HZDKRXCIUCSMML-UHFFFAOYSA-N 401.426 5.342 5 40 HKBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 6155409 MTWYIFUATIWWHH-BQYQJAHWSA-N 412.667 5.328 5 40 HKBB Cc1ccc(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c(F)c1 15313836 SSYBNFHPWDCYMU-UHFFFAOYSA-N 403.460 5.211 5 40 HKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 101364487 CKBZJGZALOBPQT-UHFFFAOYSA-N 420.421 5.228 5 40 HKBB Cc1ccc(Sc2ccc(/C=C3/Sc4ccccc4NC3=O)cc2[N+](=O)[O-])cc1 409106721 TWSWUCUDHVICPW-FYJGNVAPSA-N 420.515 6.140 5 40 HKBB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1 830423 WTFHIBBSVGRWKJ-UHFFFAOYSA-N 405.410 5.546 5 40 HKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)c2ccccc2)ncnc13 1327806 WPODOWCPXYMFEX-UHFFFAOYSA-N 401.516 5.676 5 40 HKBB O=C(NCCC1=CCCCC1)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 2959545 BSXOYKFLLJQPPR-UHFFFAOYSA-N 402.523 5.319 5 40 HKBB C[C@@H](NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl)C12CC3CC(CC(C3)C1)C2 8072145 QMZNJELNGZFASO-TWSLPJAOSA-N 418.946 5.798 5 40 HKBB Cc1nc(CSc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cs1 26563861 DLANCFAMYOQQGN-UHFFFAOYSA-N 403.460 5.043 5 40 HKBB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 57315600 JFEOJWWIEYKNTI-NTCAYCPXSA-N 419.481 5.661 5 40 HKBB O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)o1 100632935 FCHOKNWZSCXLED-QKFKETGDSA-N 419.412 5.956 5 40 HKBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2462276 JEFLZVLOMIJIOW-UHFFFAOYSA-N 408.801 5.012 5 40 HKBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3c([N+](=O)[O-])ccc(C)c3C)o2)cc1C 33630988 VYLKEHYMDSPYKK-UHFFFAOYSA-N 423.494 5.215 5 40 HKBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 409147824 WAYGAQUUZNGLPS-CPNJWEJPSA-N 411.483 5.002 5 40 HKBB CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409351085 WESJZBAXZXNDDO-DHDCSXOGSA-N 406.872 5.066 5 40 HKBB Cc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1C 6480433 NLZSGTDLZNHWMG-UHFFFAOYSA-N 412.445 5.784 5 40 HKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1 51330336 BAFWBINNUJOHIH-BGSGZOGBSA-N 409.489 6.396 5 40 HKBB C[C@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)[C@@H]1C[C@H]2CC[C@H]1C2 248152179 ADUSCLBPLUYBMZ-DWYDKXFJSA-N 422.569 5.374 5 40 HKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 409000251 XZZDYJCOAVHWNN-TXLPYQEJSA-N 419.524 6.988 5 40 HKBB CCCCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2196086 CHUQRKXZGKZXAP-UHFFFAOYSA-N 420.557 6.102 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 4902469 CFNWCSGPZLQBOZ-UHFFFAOYSA-N 403.825 5.716 5 40 HKBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c1 8969337 AERHYJIYADWLAY-OAQYLSRUSA-N 422.282 5.713 5 40 HKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(C)c(C)c1 408563414 VSLIOLLEYJJMJX-FCQUAONHSA-N 409.511 5.065 5 40 HKBB O=[N+]([O-])c1ccc(Cn2c3c(c4ccccc42)CCc2cc4ccccc4nc2-3)cc1 1402322 TZWAVRDFSHSQBU-UHFFFAOYSA-N 405.457 5.912 5 40 HKBB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 6177323 HUIHOZOTCUVPAF-FOIQADDNSA-N 421.884 5.840 5 40 HKBB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 59428169 HYPQEWNVAGVBMU-HTAPYJJXSA-N 401.466 5.116 5 40 HKBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1N1CCCCC1 96191659 KNCKRDCJXVAPLN-UHFFFAOYSA-N 424.504 6.309 5 40 HKBB COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 210130706 ZCSSJKTXDWQBQW-UNOMPAQXSA-N 422.418 5.104 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)o1 408813418 NDJXZUGQNSZDEM-UHFFFAOYSA-N 424.433 5.065 5 40 HKBB Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc(C)c1Cl 1299809 YWFNFGATYJUWPX-UHFFFAOYSA-N 405.841 6.268 5 40 HKBB O=C1/C(=C\c2ccc(Cl)cc2)S[C@H]2SC=C(c3ccc([N+](=O)[O-])cc3)N12 1637154 CQJDQSFWJMGKQB-QJKHOBJASA-N 402.884 5.194 5 40 HKBB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1cccc([N+](=O)[O-])c1 2352488 TVJQWLGJFXYTDR-UHFFFAOYSA-N 412.232 5.268 5 40 HKBB O=C(Oc1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 16185312 GHAQGIDTMLWUBO-UHFFFAOYSA-N 414.757 5.168 5 40 HKBB O[C@H](COCC(c1ccccc1)c1ccccc1)C[N+]1(Cc2ccccc2)CCCC1 41690127 IQURCNFLKNGBLA-MHZLTWQESA-N 416.585 5.007 5 40 HKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1cccc(F)c1 408566176 DXVSBYAQLIYCRC-NRFANRHFSA-N 420.440 5.303 5 40 HKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)ccc1[N+](=O)[O-] 725619 UYBLOOFJCWWYOQ-UHFFFAOYSA-N 423.428 6.117 5 40 HKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 4602143 AEUGGSHWTACQHM-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB CC(=O)c1ccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 8315981 KJTFPULCTUXJGR-UHFFFAOYSA-N 410.426 5.340 5 40 HKBB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215252470 YCQJBLFHGAZULE-RIYZIHGNSA-N 409.250 5.138 5 40 HKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 216381742 MTWIOBXBRGVJQP-UHFFFAOYSA-N 402.450 5.376 5 40 HKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc(C)c1OCC(C)C 225538576 IRTNHFVSUGGYQX-UHFFFAOYSA-N 424.541 6.087 5 40 HKBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1c2ccccc2Sc2ccc(Cl)cc21 226363663 CMLRITJBNIIAIV-FMIVXFBMSA-N 408.866 6.091 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 408607227 KABVBCPCHPULCM-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB CC(C)(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 2069981 WMESISZMQCLKEP-UHFFFAOYSA-N 415.449 5.953 5 40 HKBB CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1cc(C)ccc1C 2964222 PBOKETKVERSPSK-UHFFFAOYSA-N 406.463 5.671 5 40 HKBB Cc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409112118 BMPWZXUCLYTTOC-UHFFFAOYSA-N 402.372 6.326 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)c3ccccc3Cl)c12 2234649 PYIFERLQXVPVOF-UHFFFAOYSA-N 415.880 5.557 5 40 HKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2412528 YFGVPXQMQBSWPC-INIZCTEOSA-N 411.509 5.180 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccc4ccccc4c3)c12 2426580 BXTZSEKBAZKGNK-UHFFFAOYSA-N 417.512 6.668 5 40 HKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1 5021722 SQGMNPZPRBLBBB-UHFFFAOYSA-N 423.520 5.270 5 40 HKBB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 6237046 SUCOKXJMZRAGRY-UHFFFAOYSA-N 410.901 5.968 5 40 HKBB O=C(NCCC1=CCCCC1)Nc1ccc2sc3nc4ccccc4nc3c2c1 8382125 RAZNIRHAWOPOEY-UHFFFAOYSA-N 402.523 6.010 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C(C)C 224232476 FIEPFAQCMXIZMM-UHFFFAOYSA-N 420.465 5.558 5 40 HKBB C[C@@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)[C@@H]1C[C@H]2CC[C@H]1C2 248152187 ADUSCLBPLUYBMZ-YAARIBNVSA-N 422.569 5.374 5 40 HKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 5942842 LTJZCRWQPSQGRY-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 17085951 JTNNQTDOTUBVOU-APPDUMDISA-N 419.934 5.315 5 40 HKBB Cc1ccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c(C(C)(C)C)c1 226071867 FXHBFOTWBZKDTM-XMMPIXPASA-N 410.622 5.623 5 40 HKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Oc2ccccc2)cc1 1518220 FZVJXEONZLYATH-UHFFFAOYSA-N 417.446 5.763 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)c1 2949013 XDIWMMIEIFASJD-UHFFFAOYSA-N 424.432 5.852 5 40 HKBB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(Cl)c([N+](=O)[O-])c1 13602485 MWDJGMFCABPNSQ-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1 255935935 BSGQEINLVXNXJI-UHFFFAOYSA-N 423.885 5.183 5 40 HKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)ccc1[N+](=O)[O-] 824624 BGFAFMYBGNTUNO-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB Cc1cc(C)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(Cl)c1 5637616 GGJBZEUCCGSHRS-UHFFFAOYSA-N 401.894 5.354 5 40 HKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 17085949 JTNNQTDOTUBVOU-GTNSWQLSSA-N 419.934 5.315 5 40 HKBB O=[N+]([O-])c1cccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)c1 408993580 WNTGGHNPWHOBPH-UHFFFAOYSA-N 407.451 5.501 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)cc1 409204362 FYESHHMHFOGKTE-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB COc1ccc2c(c1)c(=O)oc1c(C)c3occ(-c4ccc5ccccc5c4)c3cc12 2091458 ZKZYDUNHNVLVIK-UHFFFAOYSA-N 406.437 6.830 5 40 HKBB biogenic CC(C)(C)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 6305355 LZHLXNGURRTMBC-QHCPKHFHSA-N 417.461 5.673 5 40 HKBB COc1ccc(Cl)cc1CSc1c([N+](=O)[O-])nc(C)n1Cc1ccccc1 27246808 LPYQQAQTNQOOFH-UHFFFAOYSA-N 403.891 5.102 5 40 HKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccc(C)cc1 224342337 SYTHPXBYUFCVMP-UHFFFAOYSA-N 422.506 5.765 5 40 HKBB CC(C)(C)OC(=O)NCC[C@@H](Oc1ccc2ccc3cccc4ccc1c2c34)C(=O)O 1775972779 VLTUPAQKACWCIO-HXUWFJFHSA-N 419.477 5.331 5 40 HKBB CCOc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 5261915 WMZCXEUSQYAPLR-JOCHJYFZSA-N 405.454 5.094 5 40 HKBB Brc1ccc(C[N+]2(Cc3ccc(Br)cc3)CCCC2)cc1 72427461 SOAACVYTHKXLEE-UHFFFAOYSA-N 410.173 5.522 5 40 HKBB CC(C)CCC[C@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 5030297 MIZARBNQZYHSNQ-INIZCTEOSA-N 403.486 5.942 5 40 HKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 17088104 WIUVAPWPNBNXKC-UHFFFAOYSA-N 408.801 5.012 5 40 HKBB CC(C)C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 30856599 WNNYFYQBRGECIX-GRBCXPRBSA-N 414.505 6.039 5 40 HKBB O=C(Nc1ccc(F)cc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 33851546 VPSQQIZTHPHNKL-UHFFFAOYSA-N 419.419 5.271 5 40 HKBB Cc1ccc(C[N+]2(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CCCC2)cc1 226072208 NKPOLIOUPWKVTQ-SANMLTNESA-N 402.558 5.213 5 40 HKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 408556544 JHRPKOFHBFCMHJ-UHFFFAOYSA-N 416.836 5.587 5 40 HKBB Cc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] 827812 QUGWXZAUQVDHNP-UWJYYQICSA-N 401.466 5.495 5 40 HKBB O=C1c2ccc(-c3ccccc3[N+](=O)[O-])cc2C(=O)N1c1cccc(C(F)(F)F)c1 1024234 GLHWQDNSXMALOM-UHFFFAOYSA-N 412.323 5.081 5 40 HKBB CC(=C=CC(C)(C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCC=C(C)C 4714399 CJUAMADYFHPZNC-UHFFFAOYSA-N 402.447 5.534 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(C[C@H](O)c1ccccc1)C1CCCCC1 6575717 RCDMWMWGNSIHNT-FQEVSTJZSA-N 417.893 5.148 5 40 HKBB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2N1c1ccccc1 7003252 SQZIWGYGHLOZLQ-CJLVFECKSA-N 408.413 6.074 5 40 HKBB CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 408733240 GYIHLDZHWDQPTK-HSZRJFAPSA-N 401.466 5.709 5 40 HKBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 408624961 WFRCLPMXTZVVKW-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccc(OC)cc2)cc1 726935 JEOFWOHTZYDLKM-UHFFFAOYSA-N 401.422 5.336 5 40 HKBB O=[N+]([O-])c1ccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)cc1 3050349 HTHYHYVKUMQAGX-UHFFFAOYSA-N 410.351 6.621 5 40 HKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1 2245243 UTQDDGWTFRNIST-UHFFFAOYSA-N 409.493 5.016 5 40 HKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)c1 20183515 ULKSZAFQOSYQAY-UHFFFAOYSA-N 420.350 5.566 5 40 HKBB O=C(NCCSc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408906950 KYVRLEFAVFYTCF-OQKWZONESA-N 404.491 5.044 5 40 HKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2 409000252 XZZDYJCOAVHWNN-YXZYRLPVSA-N 419.524 6.988 5 40 HKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(Cl)ccc3O)n2)cc1 1844589 MPHHSMZTEVWKCD-UHFFFAOYSA-N 402.837 6.350 5 40 HKBB Cc1cccc2oc3cc(N4CCCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 4117304 UIEJUCDEPBPEAM-UHFFFAOYSA-N 410.473 5.240 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Br)cc1 16450591 MXZKIVYKGDGOHK-ZRDIBKRKSA-N 413.227 5.269 5 40 HKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc3ccccc23)cc1 408564839 ANJZKCMELICVPM-OAQYLSRUSA-N 404.495 5.147 5 40 HKBB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409108479 ULHKDHIOFLCWAV-BKUYFWCQSA-N 404.447 5.259 5 40 HKBB Cc1ccc(C)c(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409112932 HCMMWRUFLZRXNX-UHFFFAOYSA-N 416.399 6.635 5 40 HKBB CC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229351 NHEDKUPGYKTSCC-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB O=[N+]([O-])c1ccc2nc(SCc3cc(Cl)ccc3OC(F)F)sc2c1 3305820 JEZYFQGTNSGONE-UHFFFAOYSA-N 402.831 5.752 5 40 HKBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc(Oc2ccccc2)c1 4678578 ADFVDMXEJIZSRF-UHFFFAOYSA-N 400.438 5.400 5 40 HKBB Cc1ccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCC(C)CC2)c(C(C)(C)C)c1 226071546 WXRKYOBLACDANY-CJQCTXEWSA-N 410.622 5.479 5 40 HKBB Cc1noc(/C=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)c1[N+](=O)[O-] 408542762 KZWKIXAWEUOJLG-KTKRTIGZSA-N 411.820 5.857 5 40 HKBB CCCN(CCC)[C@@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729654 KVKLIOPLLKTGRE-QMHKHESXSA-N 414.387 6.299 5 40 HKBB Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 1856667 HGEKIYSVWKWYIV-MBSDFSHPSA-N 415.493 5.804 5 40 HKBB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl 9725797 XMIYETNGFSTFET-UHFFFAOYSA-N 423.572 5.282 5 40 HKBB O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)ccc3o2)cc1 68603139 UMOJEIBAASGULL-UHFFFAOYSA-N 416.824 5.909 5 40 HKBB biogenic O=C(Nc1cccc2[nH]ccc12)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F 84505963 LZCQQXZBVSKQQU-UHFFFAOYSA-N 407.426 5.619 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccccc2Cl)cc1)c1c[nH]c2ccccc12 408575051 VSFOIOSBQFBTNJ-NRFANRHFSA-N 406.869 5.809 5 40 HKBB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)c(Cl)c1 647594 GBSVDQWNHAHAIZ-IBGZPJMESA-N 414.248 5.673 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)c1 6143775 KWGMXKLFGLTSKY-UHFFFAOYSA-N 419.803 5.336 5 40 HKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 8590617 PJAGZLHVGCNMPZ-UHFFFAOYSA-N 419.462 5.441 5 40 HKBB O=C(NCCSCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408906965 LDRIOJCQPBASAI-HAVVHWLPSA-N 418.518 5.185 5 40 HKBB O=[N+]([O-])c1ccc(OC(F)F)c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 5072397 OQGSGMTVTPDIRX-FQEVSTJZSA-N 408.364 5.185 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Cl)c1)O2 5120132 USLGAOABFQHACH-IFMALSPDSA-N 405.841 5.491 5 40 HKBB Cc1cccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1[N+](=O)[O-] 7642197 KRKAJWWLFYWMNE-UHFFFAOYSA-N 405.435 5.558 5 40 HKBB O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])cc1Cl 9252418 CAUSAAUFDFRMLG-UHFFFAOYSA-N 423.881 5.455 5 40 HKBB O=C1c2ccccc2-c2c1c(-c1ccccc1[N+](=O)[O-])nc1ccc3ccccc3c21 4854947 ASYSEJDDKSJXQG-UHFFFAOYSA-N 402.409 6.175 5 40 HKBB Cc1ccc(Sc2ccc(COc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 12955170 KQIFUJSCMKDJGQ-UHFFFAOYSA-N 420.317 6.940 5 40 HKBB Cc1cccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 409110095 RESCVERWSQNRIQ-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB O=c1[nH]c2c(sc3nc(-c4cccs4)cc(C(F)(F)F)c32)c2ccccc12 975541 ROXPFBDGRVXEMD-UHFFFAOYSA-N 402.422 6.038 5 40 HKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2307823 FOEACKSWQGTEGZ-UHFFFAOYSA-N 411.509 5.172 5 40 HKBB Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2)c1Sc1ccccc1[N+](=O)[O-] 2718592 NPZWXIXBMBAQPM-UHFFFAOYSA-N 411.483 5.225 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1 8835956 STXKOIAUOXWGHV-UHFFFAOYSA-N 401.813 5.197 5 40 HKBB O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 60740317 MMRXFHXOOHVUKX-UHFFFAOYSA-N 410.735 5.779 5 40 HKBB Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1-c1nc2ncccc2o1 5128177 FPBGTHLPOTYDGQ-UHFFFAOYSA-N 408.801 5.012 5 40 HKBB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17083155 AAFSVNBKCXCBDR-UHFFFAOYSA-N 405.454 5.093 5 40 HKBB O=c1cc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c2c(ccc3ccccc32)o1 28869443 ZSVFXGUZSYKNNI-UHFFFAOYSA-N 419.893 5.677 5 40 HKBB CN(C)c1ccc(NC(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 38198565 LMXDYNHBTRADQJ-UHFFFAOYSA-N 412.522 5.139 5 40 HKBB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 214461775 GQQURODNWPWCHL-UDWIEESQSA-N 420.446 5.400 5 40 HKBB O=C(O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1Cc3ccccc3[C@H]21 408993465 DEXLCALDBKXAFA-SYYKKAFVSA-N 420.852 5.417 5 40 HKBB CCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2c1c(=O)oc1ccccc12 1071269 ZPPBZABRRVSGCJ-UHFFFAOYSA-N 414.248 5.059 5 40 HKBB Cc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1Cl 4658750 PEIDBWFHDNNICI-UHFFFAOYSA-N 401.854 5.217 5 40 HKBB CCCCC(=O)N1c2cc(C)c([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C 4837114 DOCWUBNOAZTNRI-UHFFFAOYSA-N 408.570 6.195 5 40 HKBB O=C(O)CC/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ccccc2s1 9129502 FCKOBJADWLHODE-FYWRMAATSA-N 420.446 5.870 5 40 HKBB O[C@@H](COCC(c1ccccc1)c1ccccc1)C[N+]1(Cc2ccccc2)CCCC1 41690130 IQURCNFLKNGBLA-HHHXNRCGSA-N 416.585 5.007 5 40 HKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 209376893 QWBIEXHGGYBFIV-YBEGLDIGSA-N 400.312 5.366 5 40 HKBB Cc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3n2)c1 6784803 QRMCHCFHTGLZJW-UHFFFAOYSA-N 412.371 5.631 5 40 HKBB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 14582962 DQYMQKLFZVHOQV-UHFFFAOYSA-N 402.756 5.308 5 40 HKBB CC[P@](=Nc1cccc([N+](=O)[O-])c1)(c1c(C)nn(-c2ccccc2)c1C)N(C)C 5445379 PPDOJCRFYPLYSQ-GDLZYMKVSA-N 411.446 5.052 5 40 HKBB O=[N+]([O-])c1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)ccc1Cl 19321205 JJTXDIYYTPSEEC-UHFFFAOYSA-N 407.901 5.265 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccccc1 224657079 ISFGOLVATBOTOL-UHFFFAOYSA-N 422.506 5.847 5 40 HKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2Cl)c1 14943609 LGYDHRNAGCBRMV-OUKQBFOZSA-N 417.852 5.941 5 40 HKBB Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)oc2cc1C 16284211 KILKNXJEKZYLMZ-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB Cc1c(O)ccc2c1oc1c(-c3ccc(C(C)C)cc3)c3c(O)nn(C(C)C)c3nc12 79480379 ZXAZRNSAYVEIPP-UHFFFAOYSA-N 415.493 6.422 5 40 HKBB COc1ccc2cc(CN(C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)ccc2c1 18213011 UFYVMPVBTRRDDW-UHFFFAOYSA-N 406.463 5.244 5 40 HKBB OC1=N[C@H](c2c3ccccc3cc3ccccc23)Nc2scc(-c3ccccc3)c21 4571787 OQNYDOOMEHPKJM-DEOSSOPVSA-N 406.510 7.150 5 40 HKBB O=c1c2ccccc2c(=O)c2c1c(Nc1ccccc1)cc1oc3ccccc3[nH]c12 4891446 WQTKVSBDTIZECF-UHFFFAOYSA-N 404.425 5.685 5 40 HKBB biogenic O=[N+]([O-])c1ccc2nc(SCCOc3ccc(Br)cc3)sc2c1 15911705 JRAXQULULZDTKO-UHFFFAOYSA-N 411.302 5.138 5 40 HKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccccc2)c1 44086089 ISUHGZCCKGIKOX-UHFFFAOYSA-N 405.454 5.879 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCCOc4cc(Cl)ccc43)cs2)c1 95989233 RMURNSVSHPHWMH-SFHVURJKSA-N 415.902 5.375 5 40 HKBB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 408564569 WUMODOONLGUMDD-UHFFFAOYSA-N 419.717 5.218 5 40 HKBB Cc1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1[N+](=O)[O-] 2661136 OIVVGCODOCOAMH-QHCPKHFHSA-N 414.417 5.166 5 40 HKBB Cc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3ccccc3c2=O)cc1 101341467 GZLGQCNXJGLMOU-UHFFFAOYSA-N 416.458 5.397 5 40 HKBB O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 108011055 WMXMFGWOUQSBMB-AATRIKPKSA-N 403.059 5.582 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(Cl)cc2)cc1)c1c[nH]c2ccccc12 408569884 KCXDJWNYLYMSGM-QFIPXVFZSA-N 406.869 5.809 5 40 HKBB O=C(Nc1ccccc1Br)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408623276 SAGGYMXMXOGDGC-UHFFFAOYSA-N 421.634 5.523 5 40 HKBB O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc(C(F)(F)F)c1 1310115 BADQDRUXFWCMJD-UHFFFAOYSA-N 401.344 5.925 5 40 HKBB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)ON(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 4914531 SANJJBBEHLTVFG-YTFSRNRJSA-N 418.449 5.008 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 6091391 VYHJVDRPUYRQCL-UHFFFAOYSA-N 403.872 5.805 5 40 HKBB O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 408564565 WRULFUDRNMSZLG-UHFFFAOYSA-N 419.717 5.218 5 40 HKBB CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409118995 QZGGPAFMHWSYMK-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB CCOc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)cc(Cl)c1OCC 680549 GKMAMZFXAYOHNU-UHFFFAOYSA-N 421.880 6.204 5 40 HKBB CC(=O)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 1097900 LIPSORNLYXOHMH-QHCPKHFHSA-N 419.868 5.867 5 40 HKBB Cc1ccc(/C=C/c2cc(/C=C/c3ccc(C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1714412 UPSJIAGITQEPAG-PHEQNACWSA-N 400.434 6.461 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(C(F)(F)F)cc1)c1c(-c2ccccc2)cc2ccccn12 3205738 SXOJAISDWIOKHB-OAQYLSRUSA-N 410.395 6.034 5 40 HKBB CCCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12 4903438 FPXPKGRYWPJFTD-DEOSSOPVSA-N 420.465 5.069 5 40 HKBB COc1cccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc23)c1 4970302 AZTXYTRVVFDNAI-UHFFFAOYSA-N 414.396 5.297 5 40 HKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1ccccn1)c1nc2ccccc2s1 9717005 MNAXMEGNYAAZOV-UHFFFAOYSA-N 424.869 5.100 5 40 HKBB C[C@@H](Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 40062474 NGVYNVYYJNPBPT-CYBMUJFWSA-N 403.866 5.009 5 40 HKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1CN(C)C1CCCCC1 58045547 NFMIJICCFRWOOZ-SFHVURJKSA-N 424.545 5.584 5 40 HKBB COc1ccc(C(=O)Nc2cccc(Cl)c2Sc2ccccn2)cc1[N+](=O)[O-] 58163004 KGVJMELVDGDRPP-UHFFFAOYSA-N 415.858 5.055 5 40 HKBB CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 3281791 HBNCYDIWFXQBLM-SFQUDFHCSA-N 401.466 5.793 5 40 HKBB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6615056 QGGPFSVKCVGKLL-UHFFFAOYSA-N 413.783 5.120 5 40 HKBB COc1ccc(Br)cc1-c1nc2c3ccccc3c3ccccc3c2n1C 15219259 OXEQQMXDJBQPAB-UHFFFAOYSA-N 417.306 6.318 5 40 HKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(COc3ccc4ccccc4c3)nc12 2740894 XVAKRUILGPOPAE-UHFFFAOYSA-N 411.490 5.236 5 40 HKBB CC[N+](CC)(CC)CCCCCCCC[N+](CC)(CC)Cc1cc2ccccc2o1 4424985 UUQOFJNYGDPXSN-UHFFFAOYSA-N 416.694 7.007 5 40 HKBB O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 5257997 XLLIGVYVRVMLOV-ZWPAVUJESA-N 414.421 5.524 5 40 HKBB Cc1ccc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3Cl)oc2c1 5942852 AYVWFJYMIZILPQ-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)Nc3ccc(C)cc3)c2)cc1 6923009 BAELLHPFTCCTPU-UHFFFAOYSA-N 419.441 5.500 5 40 HKBB O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 12652768 WYSZBTFHHJUBEL-UHFFFAOYSA-N 417.490 5.162 5 40 HKBB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1C 12852527 RMIHJVIJLYDQPI-UHFFFAOYSA-N 417.874 5.153 5 40 HKBB O=[N+]([O-])c1cc(SCc2ccccc2)c2c(Cl)c(-c3ccccc3)sc2c1 15084477 ZHYBVBMNGYEHOW-UHFFFAOYSA-N 411.935 7.422 5 40 HKBB S=C(NCCC1=CCCCC1)Nc1ccc2sc3nc4ccccc4nc3c2c1 408977946 ZYEDTLYWTCXGAI-UHFFFAOYSA-N 418.591 6.175 5 40 HKBB O=c1c2ccccc2c(=O)c2c1c(N1CCCC1)cc1oc3cc(Cl)ccc3[nH]c12 4811684 RFWQJNWQLIISBX-UHFFFAOYSA-N 416.864 5.195 5 40 HKBB COc1cc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c2ncccc2c1 4830972 KSZUKZYJMDHVOV-UHFFFAOYSA-N 416.393 5.530 5 40 HKBB CCCCCC(=O)N1c2ccc([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C 4843888 OGSVLEMLFRIMOV-UHFFFAOYSA-N 408.570 6.276 5 40 HKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 9829684 GKDZVDIBJABXTM-UHFFFAOYSA-N 424.869 5.100 5 40 HKBB O=[N+]([O-])c1ccccc1Cc1nc2ccccc2nc1-c1ccc(Br)cc1 20495173 QGPHTIIRBFPKPJ-UHFFFAOYSA-N 420.266 5.558 5 40 HKBB COc1ccc(C2=N[C@@H](c3ccc([N+](=O)[O-])cc3)N=C(c3ccccc3)S2)cc1 59488717 JKZOBUNPIPPLRH-FQEVSTJZSA-N 403.463 5.242 5 40 HKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] 72229354 CTIAERUOPLQBKS-LBPRGKRZSA-N 408.285 5.533 5 40 HKBB COc1ccc(Nc2nc(-c3ccccc3)c(Oc3ccc([N+](=O)[O-])cc3)s2)cc1 2051842 IKSSLLFXAANSMC-UHFFFAOYSA-N 419.462 6.263 5 40 HKBB CCOc1ccc2ccccc2c1/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O 2176527 YIKNJUHPPIKYGA-PDGQHHTCSA-N 422.824 5.145 5 40 HKBB CC1CCN(C(=S)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)CC1 6634558 WKTUDLCPLFMJLX-UHFFFAOYSA-N 404.919 5.235 5 40 HKBB Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc(F)c(F)cc23)cc1 20183506 PXEIZRQDTZDNMU-UHFFFAOYSA-N 416.387 5.736 5 40 HKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C 257348828 JFVDCZHPKBHYJV-BRKVWLPFSA-N 417.678 7.753 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccccc2F)c(Cl)c1)c1c[nH]c2ccccc12 408565076 BCTPMJSEQXAOSP-LJQANCHMSA-N 424.859 5.948 5 40 HKBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 9829722 YSMRXPKMKUEXST-UHFFFAOYSA-N 424.869 5.100 5 40 HKBB CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 13757230 AHJVMUCXWPUDTK-OZWPHOJSSA-N 415.493 5.823 5 40 HKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 17092565 BDMIMACHEMWUDM-ZZXKWVIFSA-N 421.211 5.953 5 40 HKBB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 408689767 ZANFKGOCSSTFPB-UHFFFAOYSA-N 418.280 5.299 5 40 HKBB O=C(C[C@H](c1ccccc1)[C@@](Br)(c1ccccc1)[N+](=O)[O-])c1ccccc1 1603022 MMRUVTNJHKZMIH-IFMALSPDSA-N 424.294 5.568 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2cc(Cl)ccc2OCc2ccccc2)cc1 8436058 AUWCXSLNZYGADM-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB COc1ccc(-n2c(-c3ccc(C)cc3)cn3c4ccc5ccccc5c4nc23)cc1 13787670 PRHIGGVRORCJMK-UHFFFAOYSA-N 403.485 6.415 5 40 HKBB C[N+](C)(C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 27666076 WFLCNUXHJOUEMN-KCFSFPSPSA-N 412.638 5.303 5 40 HKBB C[C@@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccccc1[N+](=O)[O-] 58391966 RGCBCSJZYCDRKC-MRXNPFEDSA-N 405.454 5.103 5 40 HKBB CCN(CC)c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] 72229391 GMHUBCOOPXVSIL-UHFFFAOYSA-N 416.692 5.654 5 40 HKBB O=C(O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 408994799 JGBMMXFLEOMNQC-KWSMCKOQSA-N 419.524 6.988 5 40 HKBB Cc1c(Cl)cccc1NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409118118 OWZHVXUXKVTNHY-UHFFFAOYSA-N 413.817 5.869 5 40 HKBB O=C(O)c1cc(-c2ccc(-c3ccc(F)cc3F)o2)nc2ccc3ccccc3c12 5949062 OBYGTAWQYRQBBT-UHFFFAOYSA-N 401.368 6.291 5 40 HKBB O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1 6575296 BOWKECNQMUSQGN-UHFFFAOYSA-N 415.452 5.752 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)c(C)c1 17091021 YSBXFRJCKAKYIW-UHFFFAOYSA-N 417.421 5.037 5 40 HKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1 214213210 OUWZQGJWCFZITA-YBFXNURJSA-N 424.409 5.230 5 40 HKBB CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)ccc21 408573916 FIZPMLJWIRMSQU-UHFFFAOYSA-N 419.506 5.595 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408626015 ZALNQVHIMURKIV-UHFFFAOYSA-N 410.735 5.779 5 40 HKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1 408848646 XNLMKKGHRQLIKP-NTUHNPAUSA-N 419.245 5.461 5 40 HKBB COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl 408927007 XJJYTUDUBZRFGP-CPNJWEJPSA-N 408.841 5.436 5 40 HKBB COc1ccc(OCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 4085068 DNIBLMFIZHDTKV-UHFFFAOYSA-N 401.871 5.987 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 408998036 HSOYYQIWZKLCTE-NYVOZVTQSA-N 411.288 6.373 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(Cl)c(Cl)c2)cc1 409196081 NCCALAQQNQCPCZ-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(OCc3ccccc3Cl)cc2)cc1 8435782 FRBZLCAKIQWXRN-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 21580493 BTQDBJRQFDZKQM-UHFFFAOYSA-N 422.828 5.052 5 40 HKBB CCOc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc(Br)c1O 9630442 QUOVUCHRBQTMRY-ZZXKWVIFSA-N 421.272 5.242 5 40 HKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1 22635047 PAXGCLVHXYMVGB-ZMZPIMSZSA-N 415.515 5.332 5 40 HKBB O=[N+]([O-])c1cc(Cl)ccc1NCCCCCNc1ccc(Cl)cc1[N+](=O)[O-] 5022290 CAJYGWNTXCZIQO-UHFFFAOYSA-N 413.261 5.504 5 40 HKBB C[N+](C)(C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1 27666078 WFLCNUXHJOUEMN-IXDSBMHWSA-N 412.638 5.303 5 40 HKBB COc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 95215340 CCCPNOMXTWWLHO-UHFFFAOYSA-N 414.465 5.161 5 40 HKBB Cc1c(O)ccc2c1oc1c(C3=Cc4ccccc4OC3)c3cnn(C(C)C)c3nc12 96114159 XLGFTDAWKJSXDJ-UHFFFAOYSA-N 411.461 5.859 5 40 HKBB biogenic O=[N+]([O-])c1cccc(C2=CSC3=NN=C(c4ccccc4)[C@@H](c4ccccc4)N23)c1 102821712 UBPOYUSQLBLECJ-JOCHJYFZSA-N 412.474 5.457 5 40 HKBB CCC(=O)Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 409180142 WDASSOFMWPIBHE-UHFFFAOYSA-N 420.421 5.093 5 40 HKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3c(-c4ccccc4)cnc2c31 6624315 KSZOEOONASRENA-UHFFFAOYSA-N 406.441 5.276 5 40 HKBB biogenic O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3ccccc3s2)c1 32204012 YJWNZUFIFLDDRP-QXMHVHEDSA-N 401.447 5.523 5 40 HKBB O=C1CC[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)N1c1ccccc1 65090566 WDSBIHQEZMHHQZ-JTHBVZDNSA-N 404.491 5.624 5 40 HKBB O=C(NCCOc1ccccc1Cl)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408717893 JLRPCRGIBHDIHA-UHFFFAOYSA-N 420.796 5.148 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3cccc(Cl)c3)c2c1 1389400 SKATVAXGKUJJIY-UHFFFAOYSA-N 414.248 5.547 5 40 HKBB O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1392305 YUWIOPGJOSOFAW-UHFFFAOYSA-N 417.248 5.733 5 40 HKBB CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 4850392 UBBXUEGWKLRWIP-UHFFFAOYSA-N 423.517 5.023 5 40 HKBB Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br 6202781 PKUVOXSHGMWQCX-UHFFFAOYSA-N 401.216 5.178 5 40 HKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)c(OC)c1 706784 UBRSXHNEYQNTAT-FQEVSTJZSA-N 402.450 5.261 5 40 HKBB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-] 996367 LGIDEHYAAXIUBD-UHFFFAOYSA-N 408.266 5.586 5 40 HKBB CCC(=O)Oc1cn(-c2cccc(CC)c2)c2nc(CC)n3c4ccccc4nc3c12 2339930 KRORAIBWJKLZNZ-UHFFFAOYSA-N 412.493 5.267 5 40 HKBB CC(=O)Nc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3S2)cc1 5663607 LDXXZAXLAYTZOS-HSZRJFAPSA-N 417.490 5.911 5 40 HKBB CN(Cc1ccc(Cl)cc1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 30751297 LRESYBLZUWFJBS-PXLXIMEGSA-N 406.869 5.447 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 97165910 PTHGZXXLEOSNIH-UHFFFAOYSA-N 400.331 5.092 5 40 HKBB CCCCc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 108202829 DFOQZFNANKAZDP-UHFFFAOYSA-N 423.494 5.324 5 40 HKBB Cc1sc2nc(-c3ccccc3OCc3ccc([N+](=O)[O-])cc3)nc(O)c2c1C 408735937 ZNNAZRAGWHFNQW-UHFFFAOYSA-N 407.451 5.168 5 40 HKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2400769 RSPNFBSQNQKADZ-GFCCVEGCSA-N 421.863 5.047 5 40 HKBB CCOc1cc(CNc2ccccc2CC)ccc1OCc1ccc([N+](=O)[O-])cc1 409116797 MNXHZKDAJOVPBX-UHFFFAOYSA-N 406.482 5.747 5 40 HKBB Cc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccc([N+](=O)[O-])cc5)cc4c3c2C)cc1 1106326 DMJOIMHWYGHVBH-UHFFFAOYSA-N 410.477 6.087 5 40 HKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 1802546 CLQHTXMHWRTNAX-FQEVSTJZSA-N 424.422 6.571 5 40 HKBB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 4571491 XBHLRWYBHFCSFR-NSPYISDASA-N 409.467 5.470 5 40 HKBB CC(C)N(C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)C(C)C 6245558 JJANGJBBZMICDO-UHFFFAOYSA-N 409.493 5.138 5 40 HKBB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 8915746 AUYCYJUJPMCIEO-UHFFFAOYSA-N 422.481 5.093 5 40 HKBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl 214400922 PQUDREHIIYJVQQ-VIZOYTHASA-N 409.250 5.138 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccc(Br)cc2)c1 408553536 AKTJPVRIIFQWNB-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 408620574 HJRDQONJKRGMMA-UHFFFAOYSA-N 405.454 5.343 5 40 HKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1 409115154 KOHNFDHFNVISEZ-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB C(=C/c1cc2ccccc2c2ccccc12)\c1ccc2cccc(-c3ccccc3)c2c1 2077646 QMEGMMWGONDTJB-CZIZESTLSA-N 406.528 8.984 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc(C(C)(C)C)cc3)c12 2419982 TUXBSYDWOBKYIS-UHFFFAOYSA-N 409.533 6.423 5 40 HKBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 4180066 KHBZTQZQESNXJS-RUZDIDTESA-N 408.457 6.028 5 40 HKBB CCOC(=O)c1c(N)sc(Sc2ccccc2[N+](=O)[O-])c1-c1ccccc1 5445161 SJVZCBWKPQETIE-UHFFFAOYSA-N 400.481 5.233 5 40 HKBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc([C@@H](O)c2nnc(-c3ccccc3)o2)cc1 13148022 LLZFQASZSOGMHQ-LJQANCHMSA-N 423.812 5.172 5 40 HKBB CC(C)c1ccc([C@@H](CC(=O)C(C)(C)C)[C@@H](C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1859446 PYWQQDWIIBUAEF-IRLDBZIGSA-N 411.498 5.676 5 40 HKBB Cc1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(C)c2C)c1C 3662999 JSHZUSLOOOKHPC-UHFFFAOYSA-N 413.481 6.259 5 40 HKBB Cc1c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cccc1[N+](=O)[O-] 11227616 BNLSMFMJCBDHQI-UHFFFAOYSA-N 421.482 5.210 5 40 HKBB O=C(CSc1nc2ccccc2c2ccccc12)Nc1ccc(Cl)c(Cl)c1 12139467 AQYCJKXTZJVPAN-UHFFFAOYSA-N 413.329 6.426 5 40 HKBB CC(C)(Cc1ccccc1)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 222895472 KQJRSQLRGMXNGI-HAVVHWLPSA-N 400.478 5.273 5 40 HKBB Cc1ccc(OC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 408975822 NYDOVDGFGLLECS-UHFFFAOYSA-N 416.440 5.407 5 40 HKBB COc1ccc([C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])cc1OC 4963844 XXJKJSIFJWRZMJ-PWGHIRGTSA-N 415.489 5.570 5 40 HKBB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 7107574 UYGOVMCOVYFVBO-MRVPVSSYSA-N 406.332 5.011 5 40 HKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2cccc3ccccc23)c1 27298357 DUNGIZONBQMGGI-UHFFFAOYSA-N 411.417 5.253 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1 409178507 IZWGNWMYNXGBLC-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1 4422824 HBQQSLSOHHIOGP-UHFFFAOYSA-N 412.267 5.692 5 40 HKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 33704413 FJFSAIRGRDWPHC-POHAHGRESA-N 400.818 5.303 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(Cl)cc2Cl)cc1 408611603 UHUFTYZZMYLYJR-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB CCC(=O)Nc1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 409176892 ADZFEBVDGHQXER-UHFFFAOYSA-N 420.421 5.093 5 40 HKBB COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409197104 VXUQAJGRTSHTNY-UHFFFAOYSA-N 416.836 5.587 5 40 HKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1 3281371 CWRCRWSSOFCGCC-OAQYLSRUSA-N 402.450 5.164 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(Cl)ccc1OCc1ccccc1 219767515 WGHZLAZCVIVTKG-UHFFFAOYSA-N 417.248 5.733 5 40 HKBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 17265235 VZRKBVLWEDBLTH-GGAORHGYSA-N 419.868 5.665 5 40 HKBB O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccccc1 408902631 PAGAPXHSILKEPM-LDADJPATSA-N 419.418 5.023 5 40 HKBB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 825303 QWMVVJNHZZEJKU-QFIPXVFZSA-N 400.478 5.465 5 40 HKBB CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 20183520 WQIKFOPDDNMYIY-UHFFFAOYSA-N 424.460 5.856 5 40 HKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(C)CCCCCC2)cc1 226069488 UNDYYSFEUMDOIX-HSZRJFAPSA-N 420.658 5.177 5 40 HKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 408608009 LPEDELYITQDNLJ-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=C1S/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 1151005 LXYKIJASKYWWOO-NVNXTCNLSA-N 409.250 5.138 5 40 HKBB Cc1ccc(Nc2[nH]c(=O)c3ccccc3c2Sc2ccc([N+](=O)[O-])cc2)cc1 3218282 AXYAGSXRJISZRG-UHFFFAOYSA-N 403.463 5.640 5 40 HKBB O=C(O)CC/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2s1 9119414 AYAIMHODSUSMMS-FYWRMAATSA-N 420.446 5.870 5 40 HKBB CCc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(SC)cc2)cc1 12413238 LHUFJWVOSHEXOE-QHCPKHFHSA-N 420.534 6.305 5 40 HKBB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C)cc1 24773175 KGKQODMAYMNTQB-HYSAVQALSA-N 419.481 5.082 5 40 HKBB CCc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 225342323 OJTAWLPMGSJKTJ-ZDSQJECRSA-N 400.478 5.575 5 40 HKBB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 8917328 GXPDBZKFXWZADH-UHFFFAOYSA-N 422.481 5.093 5 40 HKBB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc([N+](=O)[O-])c1 11617157 LMUBSPAXYWJIJF-UHFFFAOYSA-N 417.446 5.763 5 40 HKBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 16268088 CSXHBJHFMSNMEX-ONEGZZNKSA-N 415.660 5.524 5 40 HKBB CCCCCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1836139 YCRYCSJZVGJRPR-OAQYLSRUSA-N 424.561 5.103 5 40 HKBB biogenic O=[N+]([O-])c1ccc(Oc2sc(Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1 2051843 HVRRTKICUDEUFO-UHFFFAOYSA-N 423.881 6.908 5 40 HKBB Cc1ccc(Sc2ccc(COC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 4050042 XTHGFPSKJRHIQQ-UHFFFAOYSA-N 413.882 6.065 5 40 HKBB Cc1c(O)ccc2c1oc1c(-c3ccc(O)c(Cl)c3)c3c(O)nn(C(C)C)c3nc12 79501982 KPAPPKCCHNTFML-UHFFFAOYSA-N 423.856 5.657 5 40 HKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1Cl 408624676 YUKZGVMZKLNKLD-UHFFFAOYSA-N 403.649 5.189 5 40 HKBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1 409125397 DCQYFWHULKMDOU-UHFFFAOYSA-N 413.458 5.683 5 40 HKBB Cc1nn2cc(-c3cccc([N+](=O)[O-])c3)cc2c2c(C)n(C3CCCCC3)c(C)c12 1106324 ZWYNZWLGBZURLN-UHFFFAOYSA-N 402.498 6.295 5 40 HKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1cccc(Br)c1)C3 2119556 GUCIAZUOQBQBFA-UHFFFAOYSA-N 408.251 5.065 5 40 HKBB biogenic O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)ccc1Cl 2321921 CTBLMZWVGNVSDI-UHFFFAOYSA-N 410.260 6.626 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3cccc(Br)c3)cc(-c3ccccc3)c2c1 7848049 KLSMHZNINHBAHT-UHFFFAOYSA-N 405.251 6.240 5 40 HKBB Cc1cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)ccc1[N+](=O)[O-] 8336524 VTHMJEQPLNUIHM-UHFFFAOYSA-N 406.221 5.827 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)cc1 13125659 VBWJZQMDFBMJOU-UHFFFAOYSA-N 421.840 5.590 5 40 HKBB aggregator O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15539005 BTKQMXNIODALDM-UHFFFAOYSA-N 413.783 5.120 5 40 HKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 408609164 OKBOLDDEHYGBTM-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB CC(C)Cn1c(Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)nc2ccccc2c1=O 2644186 SAKIXFZFCICVEA-UHFFFAOYSA-N 423.416 5.131 5 40 HKBB S=C(Nc1cccc(Br)c1)Nc1cc2cccnc2c2cccnc12 33774022 FTSSHEFPHWYJPF-UHFFFAOYSA-N 409.312 5.354 5 40 HKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 408609169 OKWGWRDGLPCCPH-UHFFFAOYSA-N 418.880 6.593 5 40 HKBB O=C(Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1ccc(F)cc1F 3140513 BBKZPKJVFSLYHB-UHFFFAOYSA-N 420.824 5.930 5 40 HKBB c1ccc2cc(OCCCn3c4ccccc4c4nc5ccccc5nc43)ccc2c1 3635874 AYJNLKKZUGULOG-UHFFFAOYSA-N 403.485 6.360 5 40 HKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4150161 FMPKYVKTXUKJSR-UHFFFAOYSA-N 406.829 5.352 5 40 HKBB Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(Cl)c(Cl)c4)cc3oc12 5428512 ODNCFOYAILTCTB-UHFFFAOYSA-N 401.245 5.846 5 40 HKBB Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)cc1 5478276 RIOUWHCDNWASAY-UHFFFAOYSA-N 406.467 5.095 5 40 HKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 408563808 QXVJYEQBXWQYJW-UHFFFAOYSA-N 412.898 6.101 5 40 HKBB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c1 409110783 YOVTUNODCNUUNG-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 2201918 YVOFOBPVGXZMQN-UHFFFAOYSA-N 420.812 5.218 5 40 HKBB CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)SCc1cccc(C(F)(F)F)c1 8873058 VIWNXVJAHXZBSI-UHFFFAOYSA-N 412.433 5.055 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408907026 FZGRBJIQRJQGIY-DEDYPNTBSA-N 412.367 5.793 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C 11227537 YFILTLNXFKDSAB-UHFFFAOYSA-N 421.482 5.210 5 40 HKBB COc1ccc(C(=O)c2c3nc4ccccc4nc3n3c2ccc2ccccc23)cc1 3243183 ULHDPQPJPMMOGM-UHFFFAOYSA-N 403.441 5.429 5 40 HKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 828574 RAFOXAAWRHWFDX-UHFFFAOYSA-N 424.865 6.508 5 40 HKBB Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)nc2c1C 9829748 DUKUNHGYHNQCFL-UHFFFAOYSA-N 418.478 5.063 5 40 HKBB CCCCc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2246990 ITZGKFPOOHYAIQ-UHFFFAOYSA-N 423.476 5.887 5 40 HKBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1c(NC2CCCCC2)c2ccccc2oc1=O 101095357 JQRVVDNPVCXSFF-UHFFFAOYSA-N 422.441 5.090 5 40 HKBB COc1ccc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c2=O)c3c45)cc1 4361537 WXGUXPJHMBMPMD-UHFFFAOYSA-N 409.466 5.318 5 40 HKBB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] 59428126 ZPTAPYCVWDKXTM-UHFFFAOYSA-N 414.533 6.010 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccccc1[N+](=O)[O-] 59459243 QZGSXRFWBJKPBH-UHFFFAOYSA-N 416.355 5.445 5 40 HKBB CCCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 409094145 CGPXQFNAFFIAQO-UHFFFAOYSA-N 408.405 5.433 5 40 HKBB O=C(c1ccccc1Cl)N(Cc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 4893555 WORFDLJGUZAVGB-UHFFFAOYSA-N 411.801 5.003 5 40 HKBB O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(OCc2ccccc2)cc1 6831355 GWRUFXYSTZHJNL-UHFFFAOYSA-N 419.480 6.324 5 40 HKBB Cc1c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cccc1[N+](=O)[O-] 216466087 FJQSVAUWSRANPS-UHFFFAOYSA-N 401.466 5.108 5 40 HKBB Cc1ccc(-c2sc(NC(=O)c3ccccn3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408829581 OEYCMJIKGONKPV-UHFFFAOYSA-N 416.462 5.341 5 40 HKBB CC[C@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 4794233 AHJVMUCXWPUDTK-OWSXEPHWSA-N 415.493 5.823 5 40 HKBB CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc([N+](=O)[O-])c1 5658997 XJTFUILVSDKVKR-ZPHPHTNESA-N 404.289 5.140 5 40 HKBB CC[C@@H](CO)Nc1nc2cc(Br)ccc2c2ccc(Br)cc12 31719660 OMXCYYDRTRHWFZ-LBPRGKRZSA-N 424.136 5.096 5 40 HKBB O=[N+]([O-])c1ccc(NCCOc2cccc(Oc3ccccc3)c2)c(C(F)(F)F)c1 59475467 SMCKDSIZELDNQC-UHFFFAOYSA-N 418.371 5.897 5 40 HKBB COc1ccc(C2=N[C@H](c3ccc([N+](=O)[O-])cc3)N=C(c3ccccc3)S2)cc1 59488716 JKZOBUNPIPPLRH-HXUWFJFHSA-N 403.463 5.242 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cc(C)cc(C)c1C 224280301 OPJWAZDWRZJIIY-UHFFFAOYSA-N 420.465 5.360 5 40 HKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538101 CVJJPVDAPORIPN-SFHVURJKSA-N 410.514 5.921 5 40 HKBB CC(C)(C)OC(=O)NCC[C@H](Oc1ccc2ccc3cccc4ccc1c2c34)C(=O)O 1775972778 VLTUPAQKACWCIO-FQEVSTJZSA-N 419.477 5.331 5 40 HKBB CCCOc1c(Br)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC 4770665 PNNVTMPPLNKHSH-VOTSOKGWSA-N 411.252 5.012 5 40 HKBB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc([N+](=O)[O-])cc1Cl 12907908 SDFSFHOCXRUMSX-UHFFFAOYSA-N 413.842 5.048 5 40 HKBB O=C(OCC(=O)c1cccs1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 409178565 MTNJOCSIHCFKHC-UHFFFAOYSA-N 417.826 5.142 5 40 HKBB CCCSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 1836493 NCSYLZQGWQUMIK-UHFFFAOYSA-N 411.600 5.467 5 40 HKBB CCCC[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2ccccc2)cc1 2249265 JGXXYRKJFWKFHL-QHCPKHFHSA-N 417.461 5.860 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)c1 408560391 ZBLPUWUBQYTKON-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1ccccc1NCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409110568 WOKOEHJSXKATHB-UHFFFAOYSA-N 402.372 6.326 5 40 HKBB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccc([N+](=O)[O-])cc1 1447948 RPJBBNYQBJGATO-UHFFFAOYSA-N 421.792 5.241 5 40 HKBB biogenic Cc1cc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)ccc1[N+](=O)[O-] 3068818 MSCGLZOEEBJWRC-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB O=[N+]([O-])c1cccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)o2)c1 408987586 FUHCBDORKUJOME-UHFFFAOYSA-N 421.478 5.891 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 408997984 PLQKKNKXOCCLRZ-NYVOZVTQSA-N 421.840 5.627 5 40 HKBB Cc1c(Cl)cccc1NC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1F 3128269 VAAPRWMRFWMHBL-UHFFFAOYSA-N 406.822 5.802 5 40 HKBB O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5518871 XLWDWCISHZCCME-KGENOOAVSA-N 410.385 5.353 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 8418787 GLTYYTKTKUBEIP-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB COc1ccc(Oc2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 8788767 GEZPFNSIRWZKFO-UHFFFAOYSA-N 419.389 5.081 5 40 HKBB biogenic COc1ccc(N(C)C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 6145115 VYSKEDQFBICIOT-UHFFFAOYSA-N 414.490 5.675 5 40 HKBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 9192372 YIYBXHYKRLQSTF-CQSZACIVSA-N 423.494 5.495 5 40 HKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1F 214322107 KHWJTAAQCJDCKO-YBFXNURJSA-N 424.409 5.230 5 40 HKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1Cl 408620624 HWXJFEKEBWSBEV-UHFFFAOYSA-N 403.649 5.189 5 40 HKBB COc1cc2c(c([N+](=O)[O-])c1)O[C@]1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C 2025716 BRICFEMJCYYVKO-VWLOTQADSA-N 414.461 5.835 5 40 HKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 17093719 JOWGRCIBJAPDKK-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB Cc1cc(C)c2c(n1)sc1c2nc(-c2ccccc2C(=O)O)n2c3ccccc3nc12 35326199 RJGGPDBDVRHBBV-UHFFFAOYSA-N 424.485 5.627 5 40 HKBB CC1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 408619327 BDGAZOQCQKXZFV-UHFFFAOYSA-N 405.454 5.343 5 40 HKBB CC(C)N1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409022588 BRTGOLUPJNZMLY-RGVLZGJSSA-N 421.478 5.043 5 40 HKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1 409053222 NDCMVZWKRIIPTA-UHFFFAOYSA-N 409.398 5.370 5 40 HKBB O=Cc1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1 409142420 LGQLQDCFSSQMRC-UHFFFAOYSA-N 413.458 5.683 5 40 HKBB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409212840 RKBCQPJBPDCRBM-UNOMPAQXSA-N 406.419 5.404 5 40 HKBB O=[N+]([O-])c1cc(Oc2ccccc2)cc(Oc2ccc3oc4c(c3c2)CCCC4)c1 2070183 ZQSHFCSBOIMXMF-UHFFFAOYSA-N 401.418 6.804 5 40 HKBB COc1ccccc1NC(=O)CSc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 2161085 FZVNCCCWIRTFHZ-UHFFFAOYSA-N 420.796 5.006 5 40 HKBB COc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 6453523 JXLVKFXFEFETHU-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2cccc([N+](=O)[O-])c2)cs1 3119185 UPTPRFNBBAMXSR-UHFFFAOYSA-N 415.833 6.141 5 40 HKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 4893570 SVQCUEGABOPRDF-UHFFFAOYSA-N 411.801 5.003 5 40 HKBB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl 16450791 DYTLARDYKHHFEQ-MKMNVTDBSA-N 424.265 5.008 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38859712 IRCDATCGTXYNFG-UHFFFAOYSA-N 422.312 5.061 5 40 HKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(C)c1 224116226 YCXIUECTJHVTCZ-UHFFFAOYSA-N 406.438 5.052 5 40 HKBB CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(C)CCCCCC2)c(C(C)(C)C)c1 226070205 JLLIASCLOPZTCI-QFIPXVFZSA-N 420.658 5.059 5 40 HKBB Cc1ccccc1C(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 4267937 NBYCNNOKYWLBLJ-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB Cc1ccc(NC(=O)[C@@H](N[C@H]2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 6865180 KJFSXUAENFYSSL-URXFXBBRSA-N 415.493 5.250 5 40 HKBB aggregator Cc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)c1 16349010 IKUCCJGIRJNSNO-SGEDCAFJSA-N 418.521 7.404 5 40 HKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CCc1ccc(Cl)cc1)CO2 20610328 MNUAGYRKAWCJDR-UHFFFAOYSA-N 405.881 5.303 5 40 HKBB biogenic O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1F)c1cccc([N+](=O)[O-])c1 101344795 LJZWQIMPNTYKMS-UHFFFAOYSA-N 420.421 5.228 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 2205829 KRUWACYDFCKPEZ-UHFFFAOYSA-N 422.897 5.788 5 40 HKBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc([C@H](C)CC)cc1 2244862 YWSDKFDWIZBBMI-MRXNPFEDSA-N 411.509 5.207 5 40 HKBB CC(C)(C)c1ccc(OCCCn2c3ccccc3c3nc4ccccc4nc32)cc1 2668002 IPNMLYSIXMSLIE-UHFFFAOYSA-N 409.533 6.504 5 40 HKBB O=C(Nc1ccc(CN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 9481341 WSQCDKUOISFCTP-UHFFFAOYSA-N 407.514 5.031 5 40 HKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1 22635063 PAXGCLVHXYMVGB-BBATYDOGSA-N 415.515 5.332 5 40 HKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H]([N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@@]21C 123221886 NHECHQMMDZKMNO-UEWDELQXSA-N 417.678 7.753 5 40 HKBB Cc1ccc2c(=O)c3ccccc3c3c2c1c1c(C)ccc2c(=O)c4ccccc4c3c21 1671637 IJFDOVWXJGQCGY-UHFFFAOYSA-N 410.472 6.819 5 40 HKBB Cc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 13809688 SIISHAOEOKJKTF-QFIPXVFZSA-N 419.868 5.548 5 40 HKBB CCOP(=O)(CCCCCCCCCCCC[N+](CC)(CC)CC)OCC 44960047 GYDVJHGQSAKDLK-UHFFFAOYSA-N 406.612 7.030 5 40 HKBB COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C(C)C 223268697 ZVFKUGHSKNXABJ-INIZCTEOSA-N 416.543 5.146 5 40 HKBB Cc1ccc(NCCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12 5486928 AMCRYCMNVUKASY-DENIHFKCSA-N 420.622 6.180 5 40 HKBB C[C@@H]1Cc2ccccc2N1C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 408735993 ZJYYYDBJIFEZKA-CQSZACIVSA-N 410.502 5.379 5 40 HKBB O=C(Cn1cc(SCc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCCCCC1 4272475 AOQGMOKPZICTPA-UHFFFAOYSA-N 423.538 5.244 5 40 HKBB CCCCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 5014025 YILVCOTVTJXIQX-UHFFFAOYSA-N 415.924 6.618 5 40 HKBB CC(C)(C)c1ccc(C2=Nc3ccc(F)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 6075411 VNRQFYTZCNZACL-UHFFFAOYSA-N 416.456 5.465 5 40 HKBB CCC(=O)Oc1cn([C@H](C)c2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 13237917 LKUHAMCUEYJZOC-MRXNPFEDSA-N 412.493 5.324 5 40 HKBB Cc1c(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cccc1[N+](=O)[O-] 22087711 XYVQSQQRMFPNCQ-UHFFFAOYSA-N 421.400 5.222 5 40 HKBB CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 44088031 BGBDDJNIAOLZLK-UHFFFAOYSA-N 423.416 5.847 5 40 HKBB C[C@@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101441123 ADUSCLBPLUYBMZ-KWMPYPCOSA-N 422.569 5.374 5 40 HKBB CCCOc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408555571 GJFRWESFUOOYGV-UHFFFAOYSA-N 409.280 5.157 5 40 HKBB O=[N+]([O-])c1cccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc23)c1 408555717 HJRGSMBXPPKTLA-UHFFFAOYSA-N 402.425 6.078 5 40 HKBB C[C@H]1CCc2c(-c3cc(Br)ccc3O)nc3ccc4ccccc4c3c2C1 4618359 RENXPLYJQBTTFQ-AWEZNQCLSA-N 418.334 6.648 5 40 HKBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cc2ccccc2o1 5960484 SHCYXJMYRRBSLF-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB CCCCc1ccc2ccc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)nc3c2n1 8451285 QLQGNMXUDSCOKI-UHFFFAOYSA-N 424.331 6.685 5 40 HKBB CC(C)N(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)C(C)C 408975429 KEDJXTVEHGAFTF-UHFFFAOYSA-N 409.493 5.138 5 40 HKBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2CCC1=CCCCC1 2246149 KCUBHMNDHTVUJG-UHFFFAOYSA-N 415.541 5.149 5 40 HKBB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 4063049 CEZKJSDJUFKNLJ-UHFFFAOYSA-N 410.842 5.172 5 40 HKBB Cc1ccc2c(c1)N(C/C=C/c1ccccc1)c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2 4419338 ADRXAFCGXMKQML-VMPITWQZSA-N 403.394 5.769 5 40 HKBB COc1cc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)ccc1OC(C)C 5021853 IRDQYCIFSONZSH-UHFFFAOYSA-N 411.505 5.890 5 40 HKBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5701864 YTASVCQYTVNKSU-GORDUTHDSA-N 401.633 5.216 5 40 HKBB O=C(OCc1nc2ccccc2c2ccccc12)c1csc(-c2ccsc2)n1 21761859 SNLRRIWNVHFOPR-UHFFFAOYSA-N 402.500 5.930 5 40 HKBB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 58085021 SYFYGZBGMXWRBB-SJCJKPOMSA-N 422.403 5.064 5 40 HKBB O=C(O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nc2ccccc2o1 211499958 OBTRDXRNANCQTK-WQRHYEAKSA-N 408.391 5.214 5 40 HKBB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccc(F)cc2)cc1 226068873 STWKPZIQPTVMKJ-HSZRJFAPSA-N 416.601 5.556 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(F)cc2)c(Cl)c1)c1c[nH]c2ccccc12 408575873 WYVQCQZMFYADPG-FQEVSTJZSA-N 424.859 5.948 5 40 HKBB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 408779346 DBTDWWXKGZUSOK-IMEWXKHHSA-N 421.478 5.017 5 40 HKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 853563 LZEWKUFWXCXHNC-UHFFFAOYSA-N 403.825 5.716 5 40 HKBB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccc([N+](=O)[O-])cc1Cl 11257067 KBIHSWAQCQUINC-UHFFFAOYSA-N 410.861 5.039 5 40 HKBB COc1ccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1O 79489122 ZWOPXRHGXHLQNM-UHFFFAOYSA-N 419.437 5.012 5 40 HKBB COc1ccccc1OCCCn1c2nc3ccccc3nc2c2cc(C)cc(C)c21 5324456 OVFGMCAFDRRJIL-UHFFFAOYSA-N 411.505 5.832 5 40 HKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 409000250 XZZDYJCOAVHWNN-NQYQDKDESA-N 419.524 6.988 5 40 HKBB CCCC[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(-c2ccccc2)cc1 2249266 JGXXYRKJFWKFHL-HSZRJFAPSA-N 417.461 5.860 5 40 HKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2cc1O 6603302 OTMZWAVFDKOLGL-UHFFFAOYSA-N 415.401 5.603 5 40 HKBB COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2[N+](=O)[O-])[nH]c1-c1ccccc1 9010229 FLHXFIKCIBYHPZ-UHFFFAOYSA-N 416.393 5.236 5 40 HKBB O=c1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c32)c2nc3ccccc3n12 95470960 FMPQQRWKPGHKKI-UHFFFAOYSA-N 407.385 5.292 5 40 HKBB Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)s2)c1 408830740 GIGHWDVFIXGZON-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c([N+](=O)[O-])cc1OC 2311252 QWMJTWCQWNHUEL-UHFFFAOYSA-N 401.422 5.336 5 40 HKBB Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C(=O)c2ccccc2)c1 9367903 GOZOGJASXVSMKT-UHFFFAOYSA-N 416.458 5.601 5 40 HKBB O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1sc2ccccc2c1Cl 13477046 QHVLMKWGGTZODH-UHFFFAOYSA-N 411.664 5.478 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccc(Br)cc1 4744522 FLZPHUQAFJWPEK-UHFFFAOYSA-N 408.255 5.422 5 40 HKBB O=[N+]([O-])c1cccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 5258003 ODPJNJWJQDSAJI-MDRMPYQZSA-N 414.421 5.524 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1 2053291 CANJIJHVKMKQTR-UHFFFAOYSA-N 403.463 6.041 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1 5051298 KCUCIYPZWAKHIU-UHFFFAOYSA-N 401.813 5.197 5 40 HKBB O=C(OCCC/C(=C\c1cc2ccccc2c2ccccc12)[N+](=O)[O-])c1ccccc1 8649630 OHRKWNJHAKYRDS-RELWKKBWSA-N 411.457 6.248 5 40 HKBB O=C(Nc1cccc(Br)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 34967994 NJBZGZAVTIIWHQ-UHFFFAOYSA-N 421.634 5.523 5 40 HKBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CCO[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2 102476952 VZERPTZRZSESNZ-NOSZPLPQSA-N 406.675 5.526 5 40 HKBB CCc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 1413921 YVTXOPMUECSEBP-UHFFFAOYSA-N 401.422 5.526 5 40 HKBB Cc1cc(OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 1860211 UGTRGPYZGBYHKW-UHFFFAOYSA-N 413.882 6.235 5 40 HKBB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4257049 SKXOJZTXULPDLP-UHFFFAOYSA-N 421.453 5.223 5 40 HKBB O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccccc1 5812769 GLJXGCZOWVQSRB-RGEXLXHISA-N 401.447 5.133 5 40 HKBB O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc2ccccc2c1 12436775 IPZZWXSMTVQMKM-NTCAYCPXSA-N 419.440 5.618 5 40 HKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 17091668 HWVBPPNLYZGLGR-PKNBQFBNSA-N 418.840 5.443 5 40 HKBB CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cccc(C)c1 28284351 GTURQLNJPBGPPE-UHFFFAOYSA-N 410.451 5.061 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 2326324 JIXVRELKNMPEKK-UHFFFAOYSA-N 423.885 5.183 5 40 HKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(F)c(F)cc1Cl 5830632 VPGXGXGROMARCR-UHFFFAOYSA-N 400.764 5.235 5 40 HKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 6595872 DWFNTFUHXHOKGS-DEOSSOPVSA-N 411.413 5.529 5 40 HKBB CC(C)OC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 8856861 PROORSCQOBLAEX-UHFFFAOYSA-N 422.890 5.006 5 40 HKBB Cc1ccc(C)c(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1 793827 LVZPBZAAEZJGFZ-UHFFFAOYSA-N 405.841 5.231 5 40 HKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 3314294 ZAOLDVQUFNFLEY-UHFFFAOYSA-N 418.493 6.256 5 40 HKBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)nc1Sc1nc2ccccc2o1 8431042 GCQHPNYJJFMFHH-UHFFFAOYSA-N 422.447 5.575 5 40 HKBB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 8970600 BWJRKWONTNQMPK-UHFFFAOYSA-N 403.463 5.365 5 40 HKBB COCc1cc(C)nc2sc3c(nc(C)c4sc5nc(C)cc(COC)c5c43)c12 15022013 GHUISVVXVWJPMM-UHFFFAOYSA-N 423.563 5.825 5 40 HKBB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118925421 PHBJORRJHSVXIA-CJPSHIORSA-N 400.671 6.233 5 40 HKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 408555644 HOPMFISZYDVANZ-UHFFFAOYSA-N 416.836 5.587 5 40 HKBB Cc1csc2nc(-c3cccc(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])c3)cn12 5083653 QMNLMSGIVHRYTR-UHFFFAOYSA-N 412.858 5.185 5 40 HKBB Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 6865498 UHTATJXYNPDBHZ-UHFFFAOYSA-N 402.479 5.443 5 40 HKBB O=C(OCc1csc(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cc1Cl 7108187 VPCZSFRSJMJOCG-UHFFFAOYSA-N 409.250 5.382 5 40 HKBB Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 20610547 RNLQHKRZAVIRSE-UHFFFAOYSA-N 415.453 5.013 5 40 HKBB Cc1cccc(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)c1[N+](=O)[O-] 95447570 MXMKSNPEPCKJFR-UHFFFAOYSA-N 423.174 5.403 5 40 HKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC1CCCC1 225507909 JCWZZNBPRITWPC-UHFFFAOYSA-N 408.498 5.675 5 40 HKBB Cc1ccc(SCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408905977 BOYNZZLPYNYARP-HAVVHWLPSA-N 418.518 5.352 5 40 HKBB CCCC[C@@H](CC)Cn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 2341497 GFSCYTFIZGAEGF-QGZVFWFLSA-N 420.557 5.931 5 40 HKBB O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)c1ccc([N+](=O)[O-])cc1 3175918 HMVYIGCFRCZNAS-UHFFFAOYSA-N 424.281 5.335 5 40 HKBB Cc1c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cccc1[N+](=O)[O-] 10235715 CGFJLTFTYZXKOG-UHFFFAOYSA-N 415.902 5.186 5 40 HKBB Cc1ccc(-c2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)o2)c([N+](=O)[O-])c1 15947774 ZCQJNRBEZCADDU-MPBGBICISA-N 423.494 5.778 5 40 HKBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 225757923 ZWMPUWAPLQMTMB-UHFFFAOYSA-N 404.466 5.597 5 40 HKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 1463161 VYFIVIQYNCSYIM-HXUWFJFHSA-N 406.869 5.906 5 40 HKBB Cc1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc23)cc1C 16312639 BWJLSYNTSSRONA-UHFFFAOYSA-N 406.533 6.310 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc([N+](=O)[O-])cc1Cl 57313434 FTCWLJNVHCTHAN-JXMROGBWSA-N 413.773 5.068 5 40 HKBB COc1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229572 SGZHZVVPWLARBW-UHFFFAOYSA-N 403.866 5.254 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccc(C)cc1 224665177 FTVWQMFIMNVCBW-UHFFFAOYSA-N 422.506 5.847 5 40 HKBB COc1ccccc1CNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] 20897704 XRXIITMJOXWNFS-UHFFFAOYSA-N 416.437 5.241 5 40 HKBB O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccc([N+](=O)[O-])c1 24843083 DPTIEUTVXNNLTG-UHFFFAOYSA-N 404.300 5.020 5 40 HKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408557207 NQMBRYWTARPLFY-UHFFFAOYSA-N 423.425 5.093 5 40 HKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl 409111316 HSSKZUYVSQACHU-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 8684624 LKXZUOBBJRPTGM-UHFFFAOYSA-N 418.478 5.143 5 40 HKBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Cc2nc3ccccc3s2)cc1 6053756 PSBAKWMEQROGCF-SDNWHVSQSA-N 415.474 5.447 5 40 HKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 6266313 VQULTJNWURIQAY-UHFFFAOYSA-N 408.801 5.012 5 40 HKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 13946164 JCJUFWCULNQKNQ-UHFFFAOYSA-N 405.435 5.132 5 40 HKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)c(F)c1 21577908 PFQARXOEECQLSA-WEVVVXLNSA-N 403.841 5.030 5 40 HKBB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CCO[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 102476947 VZERPTZRZSESNZ-FVWUMSJSSA-N 406.675 5.526 5 40 HKBB Cc1ccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 409107074 UNULKAGYRYLEMR-UHFFFAOYSA-N 408.405 5.271 5 40 HKBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 4122458 ATYUKLHJUKWJJF-UHFFFAOYSA-N 408.801 5.012 5 40 HKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H]5C[C@@H]5c5ccccc5)nc34)c12 13644136 PTLWPSVZSWKICP-CHWSQXEVSA-N 407.449 5.404 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 408634788 UOTNPVDFIVSWOL-ODLFYWEKSA-N 421.434 5.257 5 40 HKBB O=C(O)c1ccccc1-c1c2ccc(=O)c(Cl)c-2oc2c(Cl)c(O)ccc12 4409973 QZJUUWVEZFULLI-UHFFFAOYSA-N 401.201 5.275 5 40 HKBB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 6177318 HUIHOZOTCUVPAF-QRWLVFNGSA-N 421.884 5.840 5 40 HKBB Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3n2)cc1 9426938 FZEMJAQXMDFLEM-UHFFFAOYSA-N 412.371 5.631 5 40 HKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H]5C[C@H]5c5ccccc5)nc34)c12 13644145 PTLWPSVZSWKICP-STQMWFEESA-N 407.449 5.404 5 40 HKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408544025 RKGJEGWBHWVNAV-NTMALXAHSA-N 400.818 5.303 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(Br)c1)N2 408993398 DODMMOLPHSUWBP-BVSLBCMMSA-N 421.294 5.828 5 40 HKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc1OC 946566 GHTLSESRJCWLKR-HXUWFJFHSA-N 416.477 5.271 5 40 HKBB COc1ccc([C@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2nccc3ccccc23)cc1 1448896 LVWRWWYJZNDQQN-QHCPKHFHSA-N 414.417 5.098 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Br)cc2)o1 2355565 STTZLPBBBBONDX-UHFFFAOYSA-N 401.216 5.178 5 40 HKBB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 4682339 BQSRFISMXSXCHL-UHFFFAOYSA-N 411.845 5.361 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(F)c(F)c1)O2 5111471 CVPXFFKFKSORAW-IFMALSPDSA-N 407.376 5.115 5 40 HKBB Cc1cc(C)c2cc3c(nc2c1)sc1c(SCc2ccc(Cl)cc2)ncnc13 13086107 SGZXUPYPTUPCQM-UHFFFAOYSA-N 421.978 6.955 5 40 HKBB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c([N+](=O)[O-])c1 4906079 HDXDVSLFRIMMRW-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1C 5356169 DFFPSCVARUWOLR-UHFFFAOYSA-N 417.494 5.147 5 40 HKBB O=C(CSc1nc(-c2ccccc2)cs1)Nc1cc([N+](=O)[O-])ccc1Cl 5938192 FDLAFROZGLGZIA-UHFFFAOYSA-N 405.888 5.103 5 40 HKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 16492287 HZICYUPYOAIUEX-UHFFFAOYSA-N 419.418 5.976 5 40 HKBB O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1 408613682 ZHTQKXDBGQYIBJ-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB CC(C)Oc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2205159 IMQHSYIDLRZNRM-UHFFFAOYSA-N 401.897 6.227 5 40 HKBB O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc(-c2ccc(Cl)cc2Cl)cs1 2205633 VPPFECBLBPZPSI-UHFFFAOYSA-N 419.245 5.799 5 40 HKBB C[C@@H](NC(=O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)c1ccccc1 6624578 NCBOIJINNMUGHN-MRXNPFEDSA-N 417.468 5.083 5 40 HKBB biogenic O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccccc1Br 8040512 UOWJPLHTVDGYAT-UHFFFAOYSA-N 408.255 5.422 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Cl)c2ccccc2)cc1/C=C/c1ccccc1 13403279 FZFHORCIEZPSME-IZOCETQSSA-N 406.825 6.410 5 40 HKBB COc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1Cl 408924544 JUKNKVTYVPMHJV-CPNJWEJPSA-N 408.841 5.436 5 40 HKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 10336630 MLEHVHQFARIOHC-UHFFFAOYSA-N 402.450 5.376 5 40 HKBB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 58367818 LMGBUHUZRZHWTQ-GOSISDBHSA-N 406.467 5.091 5 40 HKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1 106681233 MPFVOENPMVSUCK-CHHVJCJISA-N 409.250 5.138 5 40 HKBB CC(C)Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccncc1 409090540 RBYGSVLKLZRSNZ-UHFFFAOYSA-N 423.420 5.074 5 40 HKBB CCc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409112285 CCOKIPNKHUFCMY-UHFFFAOYSA-N 416.399 6.580 5 40 HKBB O=[N+]([O-])c1ccccc1NCCn1c(-c2ccccc2)csc1=Nc1ccccc1 584906146 OHWRWINJYKKNQZ-UHFFFAOYSA-N 416.506 5.469 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] 5328694 GLKGDKVDOSTVEF-UHFFFAOYSA-N 406.565 5.074 5 40 HKBB CCC(=O)Nc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409180122 VXOYRUFMYRVQLL-UHFFFAOYSA-N 420.421 5.093 5 40 HKBB Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1 4513646 OVRZQGSRIGLWKQ-UHFFFAOYSA-N 405.461 5.453 5 40 HKBB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 4601334 BLUAFIRZVMXSGR-OAQYLSRUSA-N 405.841 5.240 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccc(C)cc1 224339788 DXBOVJMQUCKPCA-UHFFFAOYSA-N 408.479 5.456 5 40 HKBB Cc1sc2nc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)nc(O)c2c1C 408735397 RGWKEZAIXOPRIY-UHFFFAOYSA-N 407.451 5.168 5 40 HKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409010075 DESOTBWQOWXDHL-ONDHQXCVSA-N 412.467 5.009 5 40 HKBB O=[N+]([O-])c1ccc(CNc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 4869655 SDEPKOBETJFTEO-UHFFFAOYSA-N 408.457 6.493 5 40 HKBB CCCCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 4952400 DZDXXXFMNZKOGY-UHFFFAOYSA-N 414.465 5.688 5 40 HKBB Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 5960494 GJYVGDHKWVHXSN-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc([N+](=O)[O-])cc1Cl 5971688 NHSYMFJTTUDZKA-UHFFFAOYSA-N 405.888 5.103 5 40 HKBB Cc1c(O)ccc2c1oc1c(-c3ccco3)c3c(O)nn(C4CCCCCC4)c3nc12 79492998 JNVXJLJTBMYGNK-UHFFFAOYSA-N 417.465 6.206 5 40 HKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538036 HCWSRPDQCFEDQK-UHFFFAOYSA-N 410.514 5.923 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1 409179223 PYUADVCWQXONRT-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Br)cc1[N+](=O)[O-] 1857775437 CPVNSGCXUGJJOL-UHFFFAOYSA-N 417.256 5.034 5 40 HKBB Cc1cc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)ccc1[N+](=O)[O-] 2067804 FNIOSOLCVJKMPM-UHFFFAOYSA-N 423.428 6.117 5 40 HKBB CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCCC2 2744926 IJXPIDRLTKSCSO-UHFFFAOYSA-N 416.499 5.053 5 40 HKBB C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H](c1ccccc1)[C@@H]2[N+](=O)[O-] 5217094 NRHODLQXJWGMRZ-ATJLQDCWSA-N 409.485 5.635 5 40 HKBB Cc1ccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1C 6590266 UMIFPGSTOXZFKO-UHFFFAOYSA-N 407.447 5.292 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccccc3)c2)c(Cl)c1 16480705 ULUINFJVXJBEDH-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCc2ccc(F)cc2)cc1 44086581 APJWULVBMJWFNZ-UHFFFAOYSA-N 419.481 6.187 5 40 HKBB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 408974803 DZNXAGNVVSOFBL-UHFFFAOYSA-N 422.623 6.499 5 40 HKBB Cc1c(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cccc1[N+](=O)[O-] 4575880 DMTDTKMAMUQSCG-UHFFFAOYSA-N 415.449 6.087 5 40 HKBB C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 226071043 GTYRCPMBSKXAKF-ZTAUTUAFSA-N 420.617 5.171 5 40 HKBB O=[N+]([O-])c1ccc(F)c(Br)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250286 GBCKHSDLXMQPMK-UHFFFAOYSA-N 416.071 5.586 5 40 HKBB Cc1cc(C(C)(C)C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(C(C)(C)C)c1 1601730 IVFAZLSPXWREKO-UHFFFAOYSA-N 421.515 5.537 5 40 HKBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1931263 QBUJXJCUQZHZHO-UHFFFAOYSA-N 410.451 5.061 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408606610 JBDYKKSRTPGSRE-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 408787008 PNWHJOAAFVLFPF-VLOXRPPESA-N 421.478 5.017 5 40 HKBB COc1ccc(-c2nc3c([nH]2)c2c4cccc(C)c4ccc2c2occ(C)c32)cc1OC 1547212379 BEQVYIBVOHHYND-UHFFFAOYSA-N 422.484 6.917 5 40 HKBB biogenic CCCCCCc1cc2c(cc1OCc1cccc(OC)c1)oc(=O)c1ccccc12 2381471 QQOWJMDNWGAFBR-UHFFFAOYSA-N 416.517 6.657 5 40 HKBB O=C(COc1ccc(Cl)cc1Cl)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 21487085 STMWQBMEDXHGPZ-UHFFFAOYSA-N 410.040 5.226 5 40 HKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)nc2ccccc12 138156620 ZLWNOUWZFNGPBR-UHFFFAOYSA-N 418.836 5.820 5 40 HKBB Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)Nc1cccc(C(F)(F)F)c1 3016366 SFXUQZCSNVUFBW-UHFFFAOYSA-N 416.330 5.060 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 12105291 JWZDCQHDEXOPRQ-UHFFFAOYSA-N 402.479 5.059 5 40 HKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 12982701 HJBCYTKLAUGUEC-GFCCVEGCSA-N 401.875 5.205 5 40 HKBB O=[N+]([O-])c1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 3041575 WDLFZRADBKHECA-UHFFFAOYSA-N 403.238 5.368 5 40 HKBB Cc1cc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C 6586641 WRUGGSFCJLERFT-UHFFFAOYSA-N 401.875 5.549 5 40 HKBB O=C(Nc1ccc2ccccc2c1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 104402266 JCEZQMOMDTXYOL-UHFFFAOYSA-N 403.445 6.062 5 40 HKBB Cc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 409112534 DFTRLYVJMJMOEO-UHFFFAOYSA-N 416.399 6.635 5 40 HKBB Cc1nc2ccc3nc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)sc3c2s1 2454844 IKFJCYTZXDWYJC-UHFFFAOYSA-N 404.860 5.028 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2753307 JTXYKJUYDVFZMU-UHFFFAOYSA-N 417.852 6.024 5 40 HKBB CN(C)c1ccc(-c2c3ccc(Cl)cc3nc3ccc(Br)cc23)cc1 5495450 WOHVVOINCKUASL-UHFFFAOYSA-N 411.730 6.537 5 40 HKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 408573997 UJBJGAXCCGGRAS-JOCHJYFZSA-N 416.477 5.473 5 40 HKBB O=C(Oc1c(OC(=O)c2ccccc2)c2ccccc2c2ccccc12)c1ccccc1 1600647 HFMSVFXDRXRZHF-UHFFFAOYSA-N 418.448 6.431 5 40 HKBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 3236608 VXKRBYPUJPOUEK-UHFFFAOYSA-N 414.830 5.074 5 40 HKBB Cc1cccc2c(=O)c3c(O)cc(OCc4c(Cl)cccc4Cl)cc3oc12 5323521 PLUCCAUOUOTLJM-UHFFFAOYSA-N 401.245 5.846 5 40 HKBB COc1ccc2c(-c3ccccc3)cc(SCc3cccc([N+](=O)[O-])c3)nc2c1 6897828 GLPQXEABYSPGOT-UHFFFAOYSA-N 402.475 6.111 5 40 HKBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 35326940 FWUVPEPIVKRLKW-KRWDZBQOSA-N 424.529 6.019 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727595 RLICMVDLPCGRJL-ODLFYWEKSA-N 424.409 5.230 5 40 HKBB O=C(O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 408994797 JGBMMXFLEOMNQC-BLNSJUIPSA-N 419.524 6.988 5 40 HKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 409051259 BEMFCSRLGCKTCB-UHFFFAOYSA-N 419.437 5.777 5 40 HKBB CC1(C)C[C@@](C)(c2cccc([N+](=O)[O-])c2)c2ccccc2N1C(=O)c1ccccc1 1780737 NJQRBQVODSAILN-VWLOTQADSA-N 400.478 5.730 5 40 HKBB CCc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccccc1 2423881 MUVBNNYNUVYYEB-UHFFFAOYSA-N 423.520 5.351 5 40 HKBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2cccc3ccccc23)cc1 27298430 KBXWPHUNVBTHGK-UHFFFAOYSA-N 411.417 5.253 5 40 HKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(C)c1OCC(C)C 225508306 XUZSDFLDWRXXCZ-UHFFFAOYSA-N 410.514 5.697 5 40 HKBB Cc1ccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccc(Cl)cc4[C@H]3C2)o1 5750716 LCOFVFSEVLSQHY-NQIIRXRSSA-N 409.829 5.392 5 40 HKBB O=c1c2ccccc2sc2nc(-c3ccccc3Cl)n3c4ccccc4nc3c12 9002148 ONHHSTPBCKFGIU-UHFFFAOYSA-N 413.889 5.931 5 40 HKBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409096894 KXKRHPZZWHUNSV-GDNBJRDFSA-N 400.312 5.366 5 40 HKBB Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 11692374 YEAWOYCVFMIFME-UHFFFAOYSA-N 418.361 5.377 5 40 HKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 4951155 LHDVUMBOOYJMBL-NRFANRHFSA-N 402.479 5.143 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Cl)c1)O2 5120129 USLGAOABFQHACH-RBBKRZOGSA-N 405.841 5.491 5 40 HKBB CC[N+](C)(CC)CCOc1ccccc1N(CC[N+](C)(CC)CC)c1ccccc1 5333403 FKLAWOFKOHWZRE-UHFFFAOYSA-N 413.650 5.176 5 40 HKBB CCSc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 22532197 NSOLMSOVCXPFPU-CAPFRKAQSA-N 404.491 5.886 5 40 HKBB Cc1ccc(Cl)cc1NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409122016 YCWSRHWWUITNRX-UHFFFAOYSA-N 413.817 5.869 5 40 HKBB Cc1cc(C)cc(COn2c(-c3ccc(Cl)cc3)nc3ccc([N+](=O)[O-])cc32)c1 1389384 SYPPKYPGGJPUME-UHFFFAOYSA-N 407.857 5.511 5 40 HKBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3C2CCCCC2)cc1 2249409 DJODSYMSHABUPC-UHFFFAOYSA-N 423.520 5.156 5 40 HKBB O=c1oc2ccc([N+](=O)[O-])cc2c(Sc2ccccc2)c1Sc1ccccc1 3018406 YHPMHPSBQNIGEN-UHFFFAOYSA-N 407.472 6.004 5 40 HKBB Cc1nn(-c2ccccc2)c2c1cc(-c1nc3ccccc3[nH]1)c1nc3ccccc3n12 5276943 FTIHTGYKBRDRAA-UHFFFAOYSA-N 414.472 5.678 5 40 HKBB O=[N+]([O-])c1ccc(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 6927295 MJFFMJJFYAVXNN-UHFFFAOYSA-N 411.526 6.820 5 40 HKBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 225677688 MPRLWNKSOXOSMY-UHFFFAOYSA-N 404.466 5.597 5 40 HKBB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991725 MPEQMEQYDNMVRZ-UHFFFAOYSA-N 408.841 5.711 5 40 HKBB c1ccc2c(OCCCn3c4ccccc4c4nc5ccccc5nc43)cccc2c1 3635872 FBXONFUCXZEBTJ-UHFFFAOYSA-N 403.485 6.360 5 40 HKBB COc1ccccc1Nc1nc(Nc2ccc3ccccc3c2)nc(C)c1[N+](=O)[O-] 5006123 YHQBVMJNVJPGEC-UHFFFAOYSA-N 401.426 5.342 5 40 HKBB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1 24503222 RXVXSKDSCRUIIG-UHFFFAOYSA-N 407.373 5.298 5 40 HKBB O=c1cc(C(F)(F)F)c2ccc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2o1 1105761 COOMSMJVOLBVEF-UHFFFAOYSA-N 419.233 5.531 5 40 HKBB O=C(CSc1nc2ccccc2s1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 16545453 CLFURDVGGJRNQN-UHFFFAOYSA-N 422.487 5.972 5 40 HKBB CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(C)cc1 20041687 KWWZLJQQTHXKBV-ICBIFTLVSA-N 400.478 5.711 5 40 HKBB COc1ccc(C(=O)c2c3nc(C)n4c5ccc(C)cc5nc4c3c3ccccn23)cc1 31848411 GWOBSGRRUPOKJJ-UHFFFAOYSA-N 420.472 5.145 5 40 HKBB COc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1[N+](=O)[O-] 5234760 WHVKRYLVPKBYRE-UHFFFAOYSA-N 403.482 5.246 5 40 HKBB CCCC(=O)Oc1cn(-c2ccccc2)c2nc(CCC)n3c4ccccc4nc3c12 8465474 GSEXNDYTLLPCAQ-UHFFFAOYSA-N 412.493 5.484 5 40 HKBB Cc1cc(C)c2nc3sc4c(SCc5ccc(Cl)cc5)ncnc4c3cc2c1 13086105 PCUUGGMIDMUCAA-UHFFFAOYSA-N 421.978 6.955 5 40 HKBB COc1ccc(-c2cc(C(=O)OCc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 6470206 COPLVKKKEYZPGZ-UHFFFAOYSA-N 414.417 5.176 5 40 HKBB Cc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1[N+](=O)[O-] 10235421 IEYOTOOXROECDQ-UHFFFAOYSA-N 415.902 5.186 5 40 HKBB CCN(CC)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1[N+](=O)[O-] 72229390 DCYOSMSSCYCEBQ-UHFFFAOYSA-N 416.692 5.654 5 40 HKBB C[C@]12CC3CC(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)(C1)C[C@](C)(C3)C2 101212938 MDPXVKUNUJCGDY-IWESNAMVSA-N 418.946 5.942 5 40 HKBB Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(Cl)c(Cl)c1 408823490 DPFIYUDZWZAVDS-UHFFFAOYSA-N 408.266 5.586 5 40 HKBB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409128223 DYTDLCHPRQRWAT-UHFFFAOYSA-N 406.482 5.801 5 40 HKBB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 728441 AGAHPZJZRXLWSO-UHFFFAOYSA-N 410.188 5.256 5 40 HKBB CCOc1ccc2nc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])sc2c1 2330854 UKUYBBYTNCNTAF-UHFFFAOYSA-N 400.403 5.773 5 40 HKBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3c(-c4ccc(F)cc4)cnc2c31 8792361 KVRACSZKKFCFEE-UHFFFAOYSA-N 424.431 5.415 5 40 HKBB biogenic CC(=O)c1ccc(-c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c23)cc1 13539992 RCSBLOUQOYFAFU-UHFFFAOYSA-N 424.503 7.473 5 40 HKBB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc2c1 32842233 XPRBNRKRBAMEJG-AWEZNQCLSA-N 412.873 5.172 5 40 HKBB CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21 214979465 ZHTVGPNRTHXEJY-RGVLZGJSSA-N 421.478 5.367 5 40 HKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 408553722 AZYJYXCDXMCVKU-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C 409358688 NEWWBHAZNPZWQC-UDWIEESQSA-N 420.446 5.713 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(OCc2ccccc2Cl)c1 22258414 WMWFQJZINRMJHO-UHFFFAOYSA-N 417.248 5.733 5 40 HKBB CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(OC)cc1 22527515 FZCPFAYJVXYZNS-ICBIFTLVSA-N 416.477 5.412 5 40 HKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)cc1 408775044 XXDNQFCUNIAYLY-SJJVXOANSA-N 410.542 6.155 5 40 HKBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C 408820116 VFMVEAVXOFVENJ-NDENLUEZSA-N 420.446 5.713 5 40 HKBB O=[N+]([O-])c1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)c1 10372612 NMJJEMHXGBEMPH-UHFFFAOYSA-N 410.860 7.284 5 40 HKBB CSc1ccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] 58146313 DUIDASNGYXXZSP-UHFFFAOYSA-N 420.899 5.451 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2 408993936 DUNHFIUEBQNUEX-NQYQDKDESA-N 420.512 7.198 5 40 HKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2ccncc2)nc2ccccc12 8343785 DORVKQQBOCRJQP-UHFFFAOYSA-N 404.813 5.111 5 40 HKBB C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 226071028 GTYRCPMBSKXAKF-STNUOMRGSA-N 420.617 5.171 5 40 HKBB CC(C)CSc1cc([N+](=O)[O-])cc2c1c([C@H]1OCCS1)nn2-c1ccccc1 1070729 XZLUTCOCFALZAS-FQEVSTJZSA-N 415.540 5.444 5 40 HKBB CSc1nnc(SCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)s1 2148626 DCPXIODOKGLPIE-UHFFFAOYSA-N 416.962 5.237 5 40 HKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)cc1C 2323517 SDNNWVUUWXPYBQ-UHFFFAOYSA-N 423.520 5.406 5 40 HKBB CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 13946221 JGPOMDGBJYSPBT-WYMLVPIESA-N 419.437 5.101 5 40 HKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccccc1 408562381 PFRBEEFDFKBFCF-XDOYNYLZSA-N 415.902 5.102 5 40 HKBB O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1)c1ccccc1 5808826 CRFSNEVWDGDIOR-RGEXLXHISA-N 401.447 5.133 5 40 HKBB Cc1ccc(Sc2ccc(COc3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 8781544 HWVBICWEDVKKIY-UHFFFAOYSA-N 420.317 6.940 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(OCc3ccccc3)cc2)c(Cl)c1 16480412 FGFJRABOPJMMGL-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258320 KXMSVWCKPZVSDD-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB c1ccc(Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1 38990660 MUPVYVGOFQFGPL-UHFFFAOYSA-N 408.393 8.439 5 40 HKBB C[C@@]12CC3CC(NC(=O)c4sc5c([N+](=O)[O-])cccc5c4Cl)(C1)C[C@@](C)(C3)C2 101212935 MDPXVKUNUJCGDY-KWIVTOGJSA-N 418.946 5.942 5 40 HKBB O=c1oc2ccccc2c2c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(ccc3ccccc13)N2 101787639 ZPMWXEGOXHNGNP-JOCHJYFZSA-N 420.424 6.092 5 40 HKBB CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 409116721 LNFPCWYTGJUDPV-UHFFFAOYSA-N 422.481 5.583 5 40 HKBB Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409117429 RCNCXLYXNXRCHG-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c3ccccc3n2)s1 995999 NMOHVVVEUMWONC-UHFFFAOYSA-N 407.426 5.571 5 40 HKBB CC(C)(C)c1cc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(C(C)(C)C)c1 2054527 ITTXZLIMFRSRMT-RGVLZGJSSA-N 406.482 5.534 5 40 HKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 8196735 PVWVOLCLTPZSNP-OAHLLOKOSA-N 415.449 6.169 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 59459245 GIAOVHKEJLXINK-UHFFFAOYSA-N 416.355 5.445 5 40 HKBB O=C(Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1)C(F)(F)F 2305198 RHSQRIBIYIEUPU-UHFFFAOYSA-N 420.343 5.513 5 40 HKBB O=[N+]([O-])c1ccc2nc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 59488325 YWZAMUWTHVCYPS-LJQANCHMSA-N 412.923 6.740 5 40 HKBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214767714 RFBGKJSBIWIWDT-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB COc1cccc(Nc2nc(Nc3ccc4ccccc4c3)nc(C)c2[N+](=O)[O-])c1 5587292 AUXAUQJNGODPAK-UHFFFAOYSA-N 401.426 5.342 5 40 HKBB COc1ccc(NC(=O)[C@@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)cc1Cl 5869434 IYNHABNVBYJLHQ-FQEVSTJZSA-N 412.829 5.016 5 40 HKBB CCOc1ccc(OCC)c(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1 89991055 DDEMGZRQYLEANT-UHFFFAOYSA-N 414.461 6.274 5 40 HKBB CC(C)[C@@H]1Oc2cccc(-c3c4ccccc4cc4ccccc34)c2P1C(C)(C)C 1772768955 AQQGXLPMISRSAO-NHQUYOMTSA-N 412.513 7.940 5 40 HKBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)nc2ccccc12 2083538 XKIWWHCFCBFWFT-UHFFFAOYSA-N 421.815 5.855 5 40 HKBB CCCCCN(CCCCC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 4366917 AFLJRHKMEDCCEX-UHFFFAOYSA-N 424.654 6.817 5 40 HKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(OC2CCCC2)cc1 12537622 ASFUUCZZFAJPCH-UHFFFAOYSA-N 412.489 5.115 5 40 HKBB O=[N+]([O-])c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1Br 13616846 DPEMWWMCRAAYRP-UHFFFAOYSA-N 418.250 6.207 5 40 HKBB COc1cc2sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl 32126968 MJKUDZRORBMCJB-HWKANZROSA-N 424.265 5.172 5 40 HKBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229523 GWXYUMVMZWNEIS-ZETCQYMHSA-N 424.067 5.614 5 40 HKBB CCCCOc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1 4108214 NLLMIENAZBGYOY-UHFFFAOYSA-N 402.450 5.081 5 40 HKBB Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)oc2cc1C 5541243 BHBLQNBICTVMTK-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB Cc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2Cc2cccnc2)cc1 27788810 YNJUFYIKJLNKMJ-GYHWCHFESA-N 402.479 5.109 5 40 HKBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)Nc1cccc2ccccc12 409000565 TYSVTDNPGPPFEG-UHFFFAOYSA-N 420.497 6.795 5 40 HKBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 10421657 CSANHYDDWDOCQZ-UHFFFAOYSA-N 405.435 5.134 5 40 HKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc([N+](=O)[O-])ccc1F 17092566 KQZFWEXFLSOOMY-ZZXKWVIFSA-N 421.211 5.953 5 40 HKBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccccc1 408560479 CVRRVJDWOYQHSD-XDOYNYLZSA-N 415.902 5.102 5 40 HKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)c1 408620015 GMZTZRJGYQFMNV-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB Cc1c(-c2ccccc2)oc2c(C(=O)Oc3cc(F)ccc3[N+](=O)[O-])cccc2c1=O 12568084 QMWJRIPJZDAAMA-UHFFFAOYSA-N 419.364 5.035 5 40 HKBB Cc1oc2cc(Oc3nc4ccccn4c3[N+](=O)[O-])ccc2c(=O)c1-c1ccccc1 40023601 KJNKWVXIMCSHDY-UHFFFAOYSA-N 413.389 5.117 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1c[nH]c2ccccc12 408572196 QTZHOCYPOQCPDS-HXUWFJFHSA-N 424.859 5.948 5 40 HKBB S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCCC1 408974766 DRSKKQKMYQGHHY-UHFFFAOYSA-N 424.533 5.062 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc2c(c1)OCO2)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 723781 YJJJEFFYMCVNAN-SFHVURJKSA-N 420.852 5.626 5 40 HKBB CC[C@H](C)n1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 5516016 AWYQRTRXYPUKIJ-KRWDZBQOSA-N 420.557 5.958 5 40 HKBB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 3329711 NMLOBMUSSKZKSU-UHFFFAOYSA-N 400.268 5.339 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccccc1C)n1c3ccccc3nc21 5324977 IMNFGCFTMGVVGH-UHFFFAOYSA-N 404.473 5.346 5 40 HKBB Cc1cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1[N+](=O)[O-] 6281354 BOMYOECRGCQVET-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 106728837 HSSKCDHCXFXKCE-YQNUULROSA-N 412.467 5.009 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C)cc1 224129035 FERTUXMRZOEPON-UHFFFAOYSA-N 406.438 5.052 5 40 HKBB O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)NCCCc3ccccc3)cc2)cc1 408588012 VVUMSHVRFLVWPA-UHFFFAOYSA-N 423.563 5.665 5 40 HKBB COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1OCc1ccccc1 6320148 DAZYIMWZYFKBNX-JLHYYAGUSA-N 412.445 5.901 5 40 HKBB Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1 10372616 OXOWMPZDCSKDJH-UHFFFAOYSA-N 400.308 8.029 5 40 HKBB CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 408575040 VQTCNKHFOBAXJR-QGZVFWFLSA-N 420.947 5.061 5 40 HKBB Cc1cc(-c2ccc(/C=C/c3cc(C(F)(F)F)nc(O)n3)o2)c([N+](=O)[O-])cc1C 408720433 OQZPRVYUWYTIFA-ONEGZZNKSA-N 405.332 5.156 5 40 HKBB Cc1c(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cccc1[N+](=O)[O-] 4267177 ZDWCLLHKPWYDJU-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1 9829752 LZVZOTPSPAEGTN-UHFFFAOYSA-N 418.478 5.063 5 40 HKBB COc1cc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc([N+](=O)[O-])c1O 100717276 UTNBHTQHSDUNFB-HXUWFJFHSA-N 409.442 5.180 5 40 HKBB O=C(NCCSCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408923355 WKUIJZWGZRAAAN-HAVVHWLPSA-N 418.518 5.185 5 40 HKBB COCCO[P@@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1ccc(C)o1)C(C)(C)C 5445743 JZYRAIBJAREGHY-NDEPHWFRSA-N 410.407 5.040 5 40 HKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 4745667 LECAZJZFYWSXTR-UHFFFAOYSA-N 401.447 5.638 5 40 HKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 41091638 HXYCFFDMSPKCIF-UHFFFAOYSA-N 403.438 5.240 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc2ccc(F)cc2s1 57315694 VCFOEESSOFPYKP-JXMROGBWSA-N 409.398 5.256 5 40 HKBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nc(-c2nc3ccccc3s2)cs1 9404699 WPZKGHJTFGNIBH-FNORWQNLSA-N 414.493 5.041 5 40 HKBB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] 17090245 KXXKKVDLQJPEJS-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB COc1ccc(OC)c(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C(C)C)c1 79489419 YNNZTQKNAOXLIR-UHFFFAOYSA-N 419.437 5.007 5 40 HKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 118933564 KZOROHLNHZDSDQ-ZLLXVZCVSA-N 415.662 7.673 5 40 HKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 408779347 DBTDWWXKGZUSOK-WVWKGNOCSA-N 421.478 5.017 5 40 HKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]12C 257348830 JFVDCZHPKBHYJV-FKKBDONISA-N 417.678 7.753 5 40 HKBB O=[N+]([O-])c1ccc(/C(=C\c2ccc(-c3ccccc3)o2)S(=O)(=O)c2ccccc2)o1 1565725 KWZOPORMPIBRFR-RCCKNPSSSA-N 421.430 5.420 5 40 HKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl 225538918 GAHXBLGXSZYYJN-UHFFFAOYSA-N 416.905 5.878 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccccc3Cl)c2c1 1389401 QYHFGVXMPCVRPU-UHFFFAOYSA-N 414.248 5.547 5 40 HKBB CC(C)CCOC(=O)c1ccccc1OC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4771217 JNIBGPBLGDIJLG-UHFFFAOYSA-N 406.822 5.062 5 40 HKBB Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(Cl)cc1 5303332 NZZKWMYGCMTIPN-UHFFFAOYSA-N 415.924 6.477 5 40 HKBB O=c1c2ccccc2c2nccc3c4cc(OC/C=C/c5ccccc5)ccc4n1c32 6624393 FYZADZLESLNPLC-RMKNXTFCSA-N 402.453 5.684 5 40 HKBB biogenic CC[N+](CC)(CC)C1=Nc2ccc(C)cc2[C@@](c2ccc(OC)cc2)(C(F)(F)F)N1 12694086 PEMQWIADIRPBFN-QFIPXVFZSA-N 420.499 5.277 5 40 HKBB C[C@@H](Oc1ccc(Cl)cc1Br)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12903627 YVKKEYCMRDNNNM-SECBINFHSA-N 424.638 5.201 5 40 HKBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492264 BBIVJLHOQIQCSN-UHFFFAOYSA-N 402.431 5.881 5 40 HKBB COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 29372850 MKKUVFMVRXWZNW-UHFFFAOYSA-N 413.817 5.005 5 40 HKBB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 834104 JHSDJVHOSRGTEH-UHFFFAOYSA-N 415.232 5.385 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1C 6215880 XBXDAVBPSBAOQG-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 7388420 UQIUSROTFIUSTK-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB O=[N+]([O-])c1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 13162962 DHKRGWDRMKJEAT-LNVKXUELSA-N 407.882 6.000 5 40 HKBB O=C(COC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 408617657 DACRUINZMZSPON-UHFFFAOYSA-N 420.204 5.201 5 40 HKBB C[C@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)NCCC1=CCCCC1 2642938 LUJSSQRLXBQDML-SFHVURJKSA-N 401.506 5.545 5 40 HKBB O=[N+]([O-])c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 3146339 VXJQKIZRZVQMEM-UHFFFAOYSA-N 422.440 6.510 5 40 HKBB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 17089707 RDAQZSXSGGLIGT-UHFFFAOYSA-N 413.817 5.109 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccccc1OCc1ccc(Cl)cc1)c1c[nH]c2ccccc12 408566235 FCTIPKHLIDOZRW-NRFANRHFSA-N 406.869 5.809 5 40 HKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 3213977 LWQCIQIFVMOMSR-UHFFFAOYSA-N 411.244 6.052 5 40 HKBB S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 38207606 XFNFCWNTPAFZFN-KRWDZBQOSA-N 423.545 5.451 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 408999532 WVIBIKIEZBNONT-BAGYTPMASA-N 410.395 6.085 5 40 HKBB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 409110543 DWJZYDUJNOLEGH-WQRHYEAKSA-N 406.825 5.320 5 40 HKBB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 3258294 ZPUGTHBBCPAFQB-UHFFFAOYSA-N 412.518 5.383 5 40 HKBB Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2c3ccccc3cc3ccccc23)cc1 4286296 UFXLIPHMYGEGGL-DEOSSOPVSA-N 419.571 5.738 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 408556130 HWXQIZIHBVICLF-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)sc2c1 705649 KRBKTVJQNBXBOV-UHFFFAOYSA-N 403.463 5.741 5 40 HKBB O=C(Nc1cccc(Cl)c1)OCc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 4060553 DJKFUFWNUFVQDC-UHFFFAOYSA-N 414.870 6.148 5 40 HKBB Cc1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 6266994 YDVPWMACZSJIHT-UHFFFAOYSA-N 415.456 5.440 5 40 HKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl 106685215 XCLMDOXSPXWCRQ-NVNXTCNLSA-N 409.250 5.138 5 40 HKBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538073 CVJJPVDAPORIPN-GOSISDBHSA-N 410.514 5.921 5 40 HKBB O=[N+]([O-])c1ccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 408610698 RMULHUSZWNSEIF-UHFFFAOYSA-N 402.425 6.078 5 40 HKBB O=c1c(Oc2ccc(Cl)cc2)coc2cc(Oc3ncccc3[N+](=O)[O-])ccc12 12964774 WIWJMPWXYIACOI-UHFFFAOYSA-N 410.769 5.334 5 40 HKBB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)C3=O)cc1 17248091 UXWCEHZUQQWSKU-QHCPKHFHSA-N 410.433 5.043 5 40 HKBB CC1(C)[C@H]2CC[C@@]1(C)c1c2c(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 100715850 JYVKYQQXVKZVHR-UUOWRZLLSA-N 416.481 5.208 5 40 HKBB O=C(NCc1ccc2ccccc2c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 222749822 DMRJGOYXCZIYBK-KOEQRZSOSA-N 408.457 5.605 5 40 HKBB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 224911458 JGBBZXZSFXPBRG-UHFFFAOYSA-N 415.405 5.178 5 40 HKBB O=[N+]([O-])c1ccc(S[C@@H]2CSc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 36625083 DQXXGBIMTPVJJO-RTWAWAEBSA-N 419.531 5.801 5 40 HKBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)N2CCCc3ccccc32)cc1 58158011 KQILNQIYUDACCW-UHFFFAOYSA-N 404.491 5.647 5 40 HKBB c1ccccccc(CCCCc2ccccccccccccc2)cccccc1 100358941 DVGSNMNOOZMQJL-UHFFFAOYSA-N 418.624 8.750 5 40 HKBB O=[N+]([O-])c1cccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc23)c1 408558495 ROLJGCWGIPTEQT-UHFFFAOYSA-N 418.880 6.593 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 8418410 WYQHFTHLNICGBP-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB CC(C)CCOc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 12547116 QURDSZRMKJIJBC-UHFFFAOYSA-N 412.489 6.902 5 40 HKBB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1[N+](=O)[O-] 409254510 DXUCFOKTJBNZRT-UHFFFAOYSA-N 418.858 5.150 5 40 HKBB O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1 12377805 KRITZMZCTBPMRJ-PFONDFGASA-N 410.433 5.099 5 40 HKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1 51330334 BAFWBINNUJOHIH-NBIORXPHSA-N 409.489 6.396 5 40 HKBB O=C1S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 409020419 PBBWNKDJXNCLMO-ODLFYWEKSA-N 424.409 5.230 5 40 HKBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] 4838627 FNMDKTIOZYATIV-UHFFFAOYSA-N 404.593 5.024 5 40 HKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7700196 LJBVKDOGEJVCRQ-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB CCCC(=O)Oc1cn(C2CCCCC2)c2nc(CCC)n3c4ccccc4nc3c12 13539754 XNGGEZMDUCTLKO-UHFFFAOYSA-N 418.541 6.000 5 40 HKBB O=C(Nc1cc(Cl)ccc1Oc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl 15304265 SJHJZUJBMGMFJZ-UHFFFAOYSA-N 421.211 6.085 5 40 HKBB C[C@H]1C[C@H]1c1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 58085029 SYFYGZBGMXWRBB-YVEFUNNKSA-N 422.403 5.064 5 40 HKBB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1 671676 SZLJFFIUZZWCQN-LBPRGKRZSA-N 415.902 6.138 5 40 HKBB O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccc([N+](=O)[O-])c1 4173233 MBFBVPIJEIHMAK-UHFFFAOYSA-N 401.447 5.638 5 40 HKBB CC(C)(C)c1ccc(Cn2cnc3scc(-c4cccc([N+](=O)[O-])c4)c3c2=O)cc1 5010007 KFIGKHYEITYCCG-UHFFFAOYSA-N 419.506 5.379 5 40 HKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1c2ccccc2CCc2ccccc21 5572411 OUODFMVILPHRAI-UHFFFAOYSA-N 413.477 5.272 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2c(c1)Cc1ccccc1-2 9972147 BBSHJQTWLAFHQX-SDNWHVSQSA-N 422.440 6.078 5 40 HKBB Cc1nc2ccccc2c2c(NC(=O)[C@H]3CC(=O)Nc4ccccc43)c3ccccc3n12 29030918 ATCLPINHCPOECH-IBGZPJMESA-N 420.472 5.014 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc3c4c(cccc14)CC3)N2 408996073 KVXIPELSYJJADM-FQLPYIGMSA-N 418.496 6.318 5 40 HKBB CC1(C)C[C@@](C)(c2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 1830847 XIWKMFXEMLHGJB-VWLOTQADSA-N 400.478 5.730 5 40 HKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 5034519 FNIUGQAFRKOYQT-UHFFFAOYSA-N 407.209 5.423 5 40 HKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 5278239 YIPIUIDGPLBGKB-INIZCTEOSA-N 415.541 5.464 5 40 HKBB Cc1oc(-c2ccccc2)cc1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 55398867 QKMLOALQOLZRHR-UHFFFAOYSA-N 411.889 5.139 5 40 HKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408604691 DUEHQOJABZOXLA-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 16282621 MAOUUWRJGUJFPD-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140488 SEWAXWXSORLULH-UHFFFAOYSA-N 421.192 5.112 5 40 HKBB COc1cccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)c1 33774675 SJTUCXSPMTYFFQ-UHFFFAOYSA-N 416.531 5.815 5 40 HKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccc(Cl)cc21 226363656 PGFBGCMXHGLJQI-KPKJPENVSA-N 408.866 6.091 5 40 HKBB O=c1c2ccccc2c(=O)c2c1c(NCc1ccco1)cc1oc3ccccc3[nH]c12 4817317 FPTHAJQZGGJNPY-UHFFFAOYSA-N 408.413 5.146 5 40 HKBB COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 11197125 UXEBOYCNJAVZTH-UHFFFAOYSA-N 418.478 5.143 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 408553564 AHRYMFSUHKZKKQ-UHFFFAOYSA-N 418.880 6.593 5 40 HKBB c1ccc(C[N+]2(C[C@H]3COC4(CCCCCCCCCCC4)O3)CCCCC2)cc1 4185085 GNTHWLUPYZWPBT-SANMLTNESA-N 414.654 6.604 5 40 HKBB Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 59463580 NBARTKYHHYAPJJ-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H](c1c(O)ccc3ccccc13)c1c(ccc3ccccc13)O2 89873112 JQUJQYUFNJWGIK-MHZLTWQESA-N 419.436 6.893 5 40 HKBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 408787010 PNWHJOAAFVLFPF-WLJFKGHSSA-N 421.478 5.017 5 40 HKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1C 2246641 PISFSCFGQYYBJB-UHFFFAOYSA-N 409.493 5.016 5 40 HKBB Cc1nc(SCc2cc(=O)oc3ccc4ccccc4c23)n(C[C@@H]2CCCO2)c1C 21568633 VWGOEASJBHYOLA-IBGZPJMESA-N 420.534 5.231 5 40 HKBB CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(OC)cc1 22527511 FZCPFAYJVXYZNS-YVJFHRMNSA-N 416.477 5.412 5 40 HKBB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5446043 HXCUEZNSQDSCOC-UHFFFAOYSA-N 409.530 6.084 5 40 HKBB Cc1cc(C)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 8393403 MPCPNUZQXDUIPH-CYBMUJFWSA-N 401.894 5.354 5 40 HKBB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 16492167 OPVNMLHSWNEENL-UHFFFAOYSA-N 416.458 5.892 5 40 HKBB CC(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 33654166 GTJGUOXJQBTZJZ-UHFFFAOYSA-N 409.467 5.105 5 40 HKBB O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)c3ccccc23)c([N+](=O)[O-])c1 7777921 OECHDQRDHVZDPG-UHFFFAOYSA-N 403.821 6.425 5 40 HKBB Cc1c(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)sc2C(=O)O)oc2ccccc12 12613403 ZJCYUVMJOMUDMX-UHFFFAOYSA-N 422.418 5.328 5 40 HKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)c1 44087631 UQUUUJJFIHWHSL-UHFFFAOYSA-N 421.909 6.393 5 40 HKBB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 224902127 MAOQLHBLECAZEG-UHFFFAOYSA-N 415.405 5.178 5 40 HKBB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408621135 NUCXTKPRIXPVPP-UHFFFAOYSA-N 419.820 6.532 5 40 HKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 841484 QRANJWSFLVEDRA-UHFFFAOYSA-N 403.463 5.741 5 40 HKBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 33651943 ZCQDPOMHXXFANY-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]12C 257348831 JFVDCZHPKBHYJV-IXQAJTQVSA-N 417.678 7.753 5 40 HKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409017921 GLGPGJIHVGLITA-JSJZUPIVSA-N 406.847 5.343 5 40 HKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409021240 ZJJJRPWJVROIIY-ONDHQXCVSA-N 412.467 5.009 5 40 HKBB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1cccc([N+](=O)[O-])c1 2414327 LYSHSDHQWIBIAO-UHFFFAOYSA-N 421.792 5.241 5 40 HKBB biogenic Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1C(=O)c1ccc(F)cc1 3163876 XQMUODLXYQAVNN-UHFFFAOYSA-N 406.438 5.677 5 40 HKBB COc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 3242042 AAYQGXDEXHKQMD-UHFFFAOYSA-N 419.864 5.451 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]31N2 4733135 BTGZMYYPTSGPIQ-OBTVHEKISA-N 423.516 6.552 5 40 HKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 6863282 OGMKBZUEQMQABC-UHFFFAOYSA-N 413.882 5.898 5 40 HKBB O=C(Nc1cccc(Cl)c1N1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372859 DQZPYWPQCLYSKF-UHFFFAOYSA-N 413.905 5.299 5 40 HKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Nc2ccccc2)cc1 12526681 GOLPXEIHUWRHSW-UHFFFAOYSA-N 419.484 5.537 5 40 HKBB CC1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 17087837 GYALQUCTJQWWSH-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1ccc(Cl)cc1Cl)C3 20610106 IOIIXBXCTRWUBN-UHFFFAOYSA-N 412.272 5.605 5 40 HKBB biogenic O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2ccccc2Nc2ccccc2)c([N+](=O)[O-])c1 101915832 XSOZWNHUSYLHOD-UHFFFAOYSA-N 412.383 5.306 5 40 HKBB Cc1cc(-c2ccc(Cl)cc2)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 409384843 FIXBWUJEWVDYDG-UHFFFAOYSA-N 402.819 5.073 5 40 HKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc1OC 946565 GHTLSESRJCWLKR-FQEVSTJZSA-N 416.477 5.271 5 40 HKBB CC(C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 2027644 APYBGKAFGYZLBR-UHFFFAOYSA-N 412.427 5.002 5 40 HKBB COc1ccccc1Nc1nc(Oc2ccc3ccccc3c2)nc(C)c1[N+](=O)[O-] 4797387 QGGJWLAWDRRLDF-UHFFFAOYSA-N 402.410 5.391 5 40 HKBB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6347010 OWPHBGYQRFAKBW-UHFFFAOYSA-N 416.433 5.704 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 8071867 VMGBYUOETOVIJV-UHFFFAOYSA-N 400.765 5.734 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 408996679 MJHXTNCALPXFBZ-WTNAPCKOSA-N 411.288 6.373 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 12560584 BSNLQCJQUKSIAD-UHFFFAOYSA-N 407.817 5.436 5 40 HKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] 72229353 CTIAERUOPLQBKS-GFCCVEGCSA-N 408.285 5.533 5 40 HKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 106688464 MANVYWWITGMPFG-NVNXTCNLSA-N 409.250 5.138 5 40 HKBB Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 1856668 HGEKIYSVWKWYIV-FDDCHVKYSA-N 415.493 5.804 5 40 HKBB CSc1nnc2c(n1)O[C@H](c1c3ccccc3cc3ccccc13)Nc1ccccc1-2 3211869 RWNDAJYRLLXWAO-HSZRJFAPSA-N 422.513 6.070 5 40 HKBB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1[N+](=O)[O-] 14112283 PTQPPTREOKWQGB-UHFFFAOYSA-N 424.265 5.286 5 40 HKBB C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 19880701 XBCGZJYUOFIDOY-JTHBVZDNSA-N 419.868 5.665 5 40 HKBB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225508255 HVYYQQIWJKGQJI-SFHVURJKSA-N 410.514 5.839 5 40 HKBB Cc1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)cc1[N+](=O)[O-] 408633859 MOBNRAOXOIFTDP-ODLFYWEKSA-N 421.434 5.257 5 40 HKBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2308752 POMXDANRVPKZCR-UHFFFAOYSA-N 417.900 5.046 5 40 HKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cc2ccccc2)cc1 4079323 XPZGAUPKBIRCRG-UHFFFAOYSA-N 415.474 5.561 5 40 HKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1cccc(C(F)(F)F)c1)C3 20609937 HGBNLYNPBIFFGK-UHFFFAOYSA-N 411.379 5.317 5 40 HKBB biogenic COc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1 22258055 TWVXDEQTACKDFA-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2c(Cl)cccc12 17092084 YQBGEOUXYGLODZ-UHFFFAOYSA-N 420.277 5.182 5 40 HKBB O=[N+]([O-])c1cccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)c1 25461359 ACPCPACCJKAHCV-AVRDEDQJSA-N 403.869 5.554 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975492 LCKXKEDFRXAMIT-UHFFFAOYSA-N 406.367 5.535 5 40 HKBB O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1-c1cccc2ccccc12 8432330 JDORKPFRVXBXTN-MSUUIHNZSA-N 419.440 5.618 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)c1 2246384 OKKCFIQBTPCEAQ-UHFFFAOYSA-N 415.840 5.256 5 40 HKBB Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 4970327 OHQGSPLICUOFEM-UHFFFAOYSA-N 414.852 6.111 5 40 HKBB O=[N+]([O-])c1ccc(OCc2ccccc2Cl)c(/C=C2\SC(=S)N=C2O)c1 16754272 BYXXXGBLCZYQJW-NVNXTCNLSA-N 406.872 5.156 5 40 HKBB O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 97550667 SVFKNPSIBBJAAI-UHFFFAOYSA-N 416.264 5.766 5 40 HKBB CCCCCOc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 6322517 KPSBPZKEGOONRB-UHFFFAOYSA-N 411.483 5.540 5 40 HKBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(-c2nc3cc(C(C)C)ccc3o2)c1O 9418928 BMXZTNMPQOMTPQ-UHFFFAOYSA-N 421.409 5.386 5 40 HKBB COc1ccc(Br)cc1-c1nc(COc2cccc([N+](=O)[O-])c2)cs1 16209385 CAVZOWWEPLDVIN-UHFFFAOYSA-N 421.272 5.068 5 40 HKBB Brc1ccc2c3cccc4c(Br)ccc(c5cccc1c52)c43 95830525 IPLAQSRFBRURHW-UHFFFAOYSA-N 410.108 7.262 5 40 HKBB O=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409259683 CLUTVDQHMYYGRO-LDADJPATSA-N 413.260 6.081 5 40 HKBB Cc1ccc(SCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 4085089 XPPBRRHXNZDXEI-UHFFFAOYSA-N 401.940 7.000 5 40 HKBB Cc1cc(C)c2nc3sc4c(SCC(=O)c5ccccc5)ncnc4c3cc2c1 4898287 DVYVYAQGRIGANS-UHFFFAOYSA-N 415.543 5.985 5 40 HKBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 6219652 XDOWEXOZMDGLHI-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB Cc1cc(=O)oc2cc(Oc3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])ccc12 8148904 LPIXKQKEKQMUIU-UHFFFAOYSA-N 401.374 5.033 5 40 HKBB COc1ccc(N(C)C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 38316139 LSWNMZWJSYPDFL-UHFFFAOYSA-N 414.490 5.073 5 40 HKBB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 226768867 PPWHSBMGBYFRKA-UHFFFAOYSA-N 424.796 5.158 5 40 HKBB O=C(Nc1ccc(Br)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408906881 JURDBGJKTWYVOW-XSFVSMFZSA-N 423.266 5.537 5 40 HKBB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] 824717 CMDJQHHFCYUHLQ-UHFFFAOYSA-N 423.812 5.317 5 40 HKBB COc1ccc2c(c1)Cc1cc(-n3c(=O)c4ccccc4c4ccccc4c3=O)ccc1-2 1717017 QPFMNNKQAMKKMA-UHFFFAOYSA-N 417.464 5.084 5 40 HKBB Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 16249553 OFWOSISYNMCOTG-UHFFFAOYSA-N 414.830 5.020 5 40 HKBB Cc1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1C 33730745 UNXJIDADHKNZGT-UHFFFAOYSA-N 414.559 6.423 5 40 HKBB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409113216 ABFDUSXWXTVCLA-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB C[N+](CCOC1CCCCC1)(CCOC1CCCCC1)CCOC1CCCCC1 20293464 ZFFQKUQAZCJVFS-UHFFFAOYSA-N 410.663 5.481 5 40 HKBB C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 84651741 AWLMJKBMSKMHRH-VIFPVBQESA-N 413.783 5.325 5 40 HKBB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])s1 101420767 BGJGURXWXPSEAJ-FQEVSTJZSA-N 411.483 5.469 5 40 HKBB O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(CSc2nc3ccccc3o2)cc1 1862109 FAQQKBNFUXJIPJ-UHFFFAOYSA-N 412.854 6.474 5 40 HKBB O=[N+]([O-])c1ccc(N2CCCCC2)c([C@@H]2OCCCN2Cc2ccc(Cl)cc2)c1 59490027 NJFUVLYQRXZYKK-QFIPXVFZSA-N 415.921 5.160 5 40 HKBB CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(C)c(C)c1 408563186 UTOBDLLJQTWJDK-FCQUAONHSA-N 409.511 5.065 5 40 HKBB CC(C)(C)c1ccc(OC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408975425 JZWQPAKYIKNLLZ-UHFFFAOYSA-N 412.514 6.514 5 40 HKBB O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 1865180 HSCZRWKPCULKFP-UHFFFAOYSA-N 404.260 5.624 5 40 HKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(C)nc32)c1 2398441 CXIKHZIYTUOKRZ-HNNXBMFYSA-N 411.509 5.125 5 40 HKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cnc(Cl)c(Cl)c1 2657703 RLMOMNOXNDCPDU-UHFFFAOYSA-N 400.217 5.005 5 40 HKBB O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1Oc1ccccc1[N+](=O)[O-] 3125658 QPYUYEGSCVKYHD-UHFFFAOYSA-N 408.357 5.720 5 40 HKBB O=C(OCc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1c(F)cccc1F 4060551 FNRBKXFIUTZWJZ-UHFFFAOYSA-N 401.390 5.381 5 40 HKBB O=C(O)c1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 408604574 DXMWSNYQQCOJDS-UHFFFAOYSA-N 412.829 5.138 5 40 HKBB COc1ccc([C@@H](OC(=O)c2cccc([N+](=O)[O-])c2)c2nccc3ccccc23)cc1 1448897 LVWRWWYJZNDQQN-HSZRJFAPSA-N 414.417 5.098 5 40 HKBB O=C(c1ccccc1)c1ccc(Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1 1840426 OEELFWBNZIGOPU-UHFFFAOYSA-N 401.462 6.666 5 40 HKBB O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc([N+](=O)[O-])cc3)N2c2ccc(Cl)cc2)cc1 2323101 BJBQPSQSWQWXFC-HXUWFJFHSA-N 424.800 5.054 5 40 HKBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2404507 FCMAOARRCRIIQL-UHFFFAOYSA-N 415.541 5.231 5 40 HKBB C[C@@]12CC[C@@H]3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4934394 HSVAEISJKGHUGC-HXKBJWFLSA-N 419.477 5.239 5 40 HKBB COc1cc(Br)c(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1OC 13147883 NIXOHCPKOYWHMA-VOTSOKGWSA-N 415.243 5.093 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20488653 AWTPXUOAQVOYNI-UHFFFAOYSA-N 401.466 5.108 5 40 HKBB O=C(CSCc1c(Cl)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 21125547 QKJUHBVDISZVGF-UHFFFAOYSA-N 405.690 5.427 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 408555454 FYMZXYIYVCINNN-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 5445041 DDNNWOUFZMOSDO-HXUWFJFHSA-N 405.841 5.240 5 40 HKBB C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)c1nc(-c2ccco2)no1 29737543 LJAYLYNUGABQCR-CYBMUJFWSA-N 413.462 5.532 5 40 HKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccccc1F 214378871 MHZDROPYVRKTJJ-OEAKJJBVSA-N 413.473 6.369 5 40 HKBB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccc([N+](=O)[O-])c1 408531472 UDKNOADSKWYQFN-UHFFFAOYSA-N 413.389 5.063 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1Oc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1436504 VZLVNIUIBDHWSV-UHFFFAOYSA-N 420.318 5.797 5 40 HKBB COc1cccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(C)cc23)c1 4970308 ZVEBCCFYWOFJKB-UHFFFAOYSA-N 410.433 5.466 5 40 HKBB Cc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9354836 SIISHAOEOKJKTF-JOCHJYFZSA-N 419.868 5.548 5 40 HKBB O=c1cc(CSc2nnc(NCc3ccco3)s2)c2c(ccc3ccccc32)o1 17983317 RIPFKTLDAQCPGL-UHFFFAOYSA-N 421.503 5.295 5 40 HKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1ccc(Cl)cc1 32796229 RJTGRXLCXOLYOD-OAQYLSRUSA-N 416.908 5.172 5 40 HKBB O=C(Nc1ccc(F)cc1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408976085 OZKPBSRYCUSWLR-UHFFFAOYSA-N 419.419 5.271 5 40 HKBB O=C1/C(=C/c2ccc(Cl)cc2)S[C@@H]2SC=C(c3ccc([N+](=O)[O-])cc3)N12 16958420 CQJDQSFWJMGKQB-VUZIPCMWSA-N 402.884 5.194 5 40 HKBB Cc1ccc(-c2nnc(Sc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 20667496 AQLRSNBIHPHZTQ-UHFFFAOYSA-N 415.780 5.777 5 40 HKBB Cc1ccc(N(C)C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C 104766666 SBBTUTFCUGVLAJ-UHFFFAOYSA-N 411.534 5.714 5 40 HKBB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(Cl)c([N+](=O)[O-])c1 15110150 UBQYNEZGOUKQPV-UHFFFAOYSA-N 406.225 5.370 5 40 HKBB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409116985 MZVMFMMBJYSQQV-UHFFFAOYSA-N 412.873 5.756 5 40 HKBB Cc1sc2nc(-c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)nc(O)c2c1C 408735873 YRMGYWZWZQJCFS-UHFFFAOYSA-N 401.831 5.502 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 408999543 WVIBIKIEZBNONT-HJNYFJLDSA-N 410.395 6.085 5 40 HKBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409179284 QWFKSHNQTPMYLD-UHFFFAOYSA-N 423.538 5.188 5 40 HKBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c(Cl)c1 2434785 KTUBUOFOOYSSMZ-UHFFFAOYSA-N 424.291 5.000 5 40 HKBB COc1ccc(Nc2nc(Oc3ccc4ccccc4c3)nc(C)c2[N+](=O)[O-])cc1 4797389 AKROMMWDJIMSDP-UHFFFAOYSA-N 402.410 5.391 5 40 HKBB CC[C@@H](C)n1cc(OC(=O)CC(C)C)c2c1nc(CC(C)C)n1c3ccccc3nc21 5516015 AWYQRTRXYPUKIJ-QGZVFWFLSA-N 420.557 5.958 5 40 HKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 33658292 BPGRYFKXQDMYGU-UHFFFAOYSA-N 401.658 6.022 5 40 HKBB CCn1c2ccccc2c2cc(NC(=O)c3cccc4nc5ccccc5nc34)ccc21 85344896 HZFCLCYJHHIGNH-UHFFFAOYSA-N 416.484 6.163 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2C[C@@H](c3ccccc3)O[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 230107184 YJASYVLTQWVUMA-FKBYEOEOSA-N 406.394 5.421 5 40 HKBB Cc1noc(/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1[N+](=O)[O-] 33477665 FBRGKCAEXSLVDN-FNORWQNLSA-N 405.237 5.947 5 40 HKBB CCOc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 409272404 PZSISQMINRYECD-UHFFFAOYSA-N 420.446 5.489 5 40 HKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(C)nc32)cc1 2222614 QZDCOVWHHMSJCI-OAHLLOKOSA-N 411.509 5.125 5 40 HKBB CCOc1ccc(Nc2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)cc1 4859587 VWYVVJNPCSKHFL-UHFFFAOYSA-N 401.422 5.041 5 40 HKBB COc1ccc2nc3sc4c(SCc5ccc(Cl)cc5)ncnc4c3cc2c1 13086109 NWYKILIALCSUDI-UHFFFAOYSA-N 423.950 6.347 5 40 HKBB O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2)nc(-c2cc(Cl)ccc2O)c1 2270039 VJYMEPBTLLNARR-UHFFFAOYSA-N 402.837 6.350 5 40 HKBB CCCCc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 2313119 QBGYRADICFLWCC-UHFFFAOYSA-N 423.476 5.887 5 40 HKBB c1ccc(-c2nnc(CSc3nc4ccccc4c4nc5ccccc5n34)o2)cc1 4246516 NSKQSDHTWMTICC-UHFFFAOYSA-N 409.474 5.378 5 40 HKBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1c2ccccc2Sc2ccccc21 5572416 VUXMFYIRLKILBG-UHFFFAOYSA-N 417.490 5.638 5 40 HKBB O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(-c2ccccc2F)s1 32760966 PPSDFEZDXHFNKE-QBFSEMIESA-N 419.437 5.117 5 40 HKBB CCC(=O)Nc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409178795 OUDLPPDZZHTMGZ-UHFFFAOYSA-N 420.421 5.093 5 40 HKBB CCN(CC)c1ccc2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(=O)oc2c1 2207625 WZBYDWVBWWTUDB-UHFFFAOYSA-N 421.478 5.338 5 40 HKBB Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)c(C)c1[N+](=O)[O-] 2756103 APOJIPVIMWPXMD-UHFFFAOYSA-N 419.268 5.016 5 40 HKBB CCOc1ccc(-c2cnc3c4ccccc4c(=O)n4c5ccccc5c2c34)cc1OC 8792279 JVUSVSJUFCILHP-UHFFFAOYSA-N 420.468 5.666 5 40 HKBB biogenic CC(C)C(=O)Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 57316141 MLGOAEKIBVWDFK-UHFFFAOYSA-N 417.874 5.310 5 40 HKBB Cc1ccc(C[N+](C)(C)C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 226068902 IJIKRFNPUHZPBG-DEOSSOPVSA-N 412.638 5.725 5 40 HKBB Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084864 CTLCAIPBNOGHEZ-HTAPYJJXSA-N 401.466 5.495 5 40 HKBB COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1OC 3219807 MCNTXLIIHMKKIO-IBGZPJMESA-N 420.440 5.400 5 40 HKBB CCCN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409227091 OQWWFSSAKXCUEB-UDWIEESQSA-N 421.478 5.044 5 40 HKBB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2086490 MAKUIYFHJDXENH-UHFFFAOYSA-N 417.852 6.024 5 40 HKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3cc(OCC)ccc3[N+](=O)[O-])c2c1 46086018 JXPMUFKVHWIOPA-UHFFFAOYSA-N 412.442 5.479 5 40 HKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])o1 102705913 UTKFUIIFATUTQO-OAQYLSRUSA-N 409.442 5.390 5 40 HKBB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225508219 HVYYQQIWJKGQJI-GOSISDBHSA-N 410.514 5.839 5 40 HKBB CCOc1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 408993218 CTSHLOJVISARBG-UHFFFAOYSA-N 414.490 6.040 5 40 HKBB O=[N+]([O-])c1ccc2nc(N[C@H](c3ccc(O)cc3)c3c[nH]c4ccccc34)sc2c1 4482447 SMJOEODWQZVBNH-OAQYLSRUSA-N 416.462 5.593 5 40 HKBB COc1ccc(NC(=O)[C@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)cc1Cl 5869433 IYNHABNVBYJLHQ-HXUWFJFHSA-N 412.829 5.016 5 40 HKBB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc([N+](=O)[O-])ccc1Cl 12819219 KFFAMRKPGNXSBH-UHFFFAOYSA-N 413.842 5.048 5 40 HKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 102667405 BCNDJSDNWNHVQG-QFIPXVFZSA-N 420.877 6.499 5 40 HKBB CC1(C)CC2=Nc3ccccc3N[C@H](c3c4ccccc4cc4ccccc34)C2=C(O)C1 102930965 TUNCBNFBUMANIJ-MUUNZHRXSA-N 418.540 7.864 5 40 HKBB O=C1S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 409129727 LYOZSUADIOTGKB-CPNJWEJPSA-N 411.483 5.002 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1-c1nc2ccccc2s1 409262302 GPNZPDLCMWKHSG-UHFFFAOYSA-N 416.380 6.683 5 40 HKBB CCOC(=O)c1c(C)n(Cc2ccco2)c2cc(-c3cccc([N+](=O)[O-])c3)c(O)cc12 6144386 SDAKQQROGLVCOU-UHFFFAOYSA-N 420.421 5.049 5 40 HKBB Cc1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c1[N+](=O)[O-] 24829214 WMABANHHPYJUEH-UHFFFAOYSA-N 422.293 5.510 5 40 HKBB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106739260 QRXMBYWMGRYAJF-UYRXBGFRSA-N 412.467 5.010 5 40 HKBB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1[N+](=O)[O-] 408530754 RIDPDOKLYOMOSM-UHFFFAOYSA-N 413.389 5.063 5 40 HKBB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2Cl)c(Br)c1 1406379 DXGLNKNPPCHBFI-UHFFFAOYSA-N 407.445 5.566 5 40 HKBB COc1c2c(Cl)cccc2c(OP(=O)(OC)OC)c2cccc(Cl)c12 1712218 TZGUPPFTMLGYJY-UHFFFAOYSA-N 401.182 6.088 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccc(C)cc1)n1c3ccccc3nc21 5322447 IRGIFCTVLJDMEB-UHFFFAOYSA-N 404.473 5.346 5 40 HKBB Cc1ccc2nc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)sc2c1 57315774 WGMOOTFAVWREGZ-UHFFFAOYSA-N 403.872 5.633 5 40 HKBB COc1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc([N+](=O)[O-])cc2)(C4)C3)cc1 101441033 ZOOGGENQNHGWDJ-GAAJCNLQSA-N 406.482 5.080 5 40 HKBB Cc1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)c([N+](=O)[O-])c1 408632072 DBRYCACMMSRACG-ODLFYWEKSA-N 422.418 5.522 5 40 HKBB Oc1nc(-c2c3ccccc3cc3ccccc23)nc2sc3c(c12)CCCCCC3 408997755 HPJMAEGJZKLFGC-UHFFFAOYSA-N 410.542 7.029 5 40 HKBB Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 409183527 VCHCJEAJNPSGGB-OAQYLSRUSA-N 409.825 5.338 5 40 HKBB O=C(Nc1ccc2ccccc2c1)c1ccc2sc3nc4ccccc4nc3c2c1 408977896 YUJKDSWPRIINDD-UHFFFAOYSA-N 405.482 6.403 5 40 HKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1CCCc1ccccc1 409146377 SOCVCLCWMSABPU-XIEYBQDHSA-N 423.537 6.662 5 40 HKBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 5193310 PTTVUZVKIMLYKA-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C3=O)cc1 17247934 NEOCJVVSGYFUIB-QHCPKHFHSA-N 410.433 5.043 5 40 HKBB Cc1ccc(SCCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408911890 OVXUZJPMIUTUQS-HAVVHWLPSA-N 418.518 5.352 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 5940251 BCZBIYCPSSHALQ-YMHSLHOESA-N 403.482 5.256 5 40 HKBB Cc1ccccc1[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 20492742 JBCFZZRBOJIUPI-QHCPKHFHSA-N 406.507 5.042 5 40 HKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccccc1 224657021 FUKWTOBJNODVET-UHFFFAOYSA-N 422.506 5.847 5 40 HKBB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409114327 GZDGXXLAKYHOQN-UHFFFAOYSA-N 412.873 5.756 5 40 HKBB O=C(N/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccccc1 6514586 GLJXGCZOWVQSRB-XMHGGMMESA-N 401.447 5.133 5 40 HKBB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 14206941 QKDAAMPCSPYZPX-UHFFFAOYSA-N 413.433 5.488 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)cc1 408556370 JZZLRDCNRREEDX-UHFFFAOYSA-N 413.817 5.348 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)cc1 3289093 WDAGYKHIFKMZSI-UHFFFAOYSA-N 412.490 5.790 5 40 HKBB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409182278 KESCYOGGIAWOFJ-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c1 1829867 DMQMUNUHGMFSAA-UHFFFAOYSA-N 411.248 6.255 5 40 HKBB CCCCOc1ccccc1Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 2423076 YPQYJJLISUPHAZ-UHFFFAOYSA-N 411.505 5.974 5 40 HKBB O=C(O)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1Cl 20139611 HUWPTKDNOKCNOZ-UHFFFAOYSA-N 411.222 5.067 5 40 HKBB COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409118102 OUVJIHUFVKFBPU-UHFFFAOYSA-N 412.873 5.756 5 40 HKBB CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 3366569 WKTMUVAXWALENX-LFIBNONCSA-N 401.466 5.793 5 40 HKBB Cc1cc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 10542819 DNPLQLWBOISPNP-UHFFFAOYSA-N 412.898 6.101 5 40 HKBB Cc1ccccc1N1C(=O)c2cc3oc4ccccc4c4ccccc4oc3cc2C1=O 2751241 KXILVXUNPFJTRQ-UHFFFAOYSA-N 419.436 6.566 5 40 HKBB Cc1cc(-c2c(-c3cc(C)sc3C)c3cccnc3c3ncccc23)c(C)s1 90411960 IKPWSVFNXYUDSX-UHFFFAOYSA-N 400.572 7.474 5 40 HKBB Cc1ccc(C2=N/C(=C/c3c4ccccc4cc4ccccc34)C(=O)O2)cc1[N+](=O)[O-] 3090774 OBPKXGRYPIMXOL-HYARGMPZSA-N 408.413 5.554 5 40 HKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)o2)c([N+](=O)[O-])c1 4776833 ZBIXUWDDMRBCBZ-UHFFFAOYSA-N 410.429 5.987 5 40 HKBB Cc1cc(Oc2cc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc([N+](=O)[O-])c2)ccc1Cl 6922136 KSOITPPYJGFZKT-HDICACEKSA-N 414.845 5.029 5 40 HKBB Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10902226 UODPVMZPZRIAIW-UHFFFAOYSA-N 407.904 5.014 5 40 HKBB CC(=O)Nc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(C)cc2)cc1 13403880 DXZMBXRCLHCBHG-VGOFMYFVSA-N 412.449 5.371 5 40 HKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 17091022 LHJWMFXEPWZUQG-UHFFFAOYSA-N 417.421 5.281 5 40 HKBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)cc1 4129809 WYMFZIUNQHBSKM-UHFFFAOYSA-N 411.248 5.336 5 40 HKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 4144583 PQIVHYVTLMBGEL-UHFFFAOYSA-N 416.506 5.367 5 40 HKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 7687521 MMTSPNHHAPVHEX-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8156718 PTQBZCQLJDVKDD-UHFFFAOYSA-N 405.435 5.154 5 40 HKBB Cc1c(O)ccc2c1oc1c(-c3cc4ccccc4[nH]c3=O)c3cnn(C(C)C)c3nc12 96114200 MDQQRUQVHZSQLC-UHFFFAOYSA-N 424.460 5.434 5 40 HKBB biogenic O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 408996678 MJHXTNCALPXFBZ-VOQZNFBZSA-N 411.288 6.373 5 40 HKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 6440225 JBMWWSDKOCABGS-OAHLLOKOSA-N 415.449 6.169 5 40 HKBB Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1 409385751 CMMVLYLISMZIOR-UHFFFAOYSA-N 419.384 5.343 5 40 HKBB O=C(CSCc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 8907630 ZCEPOPNUEKPMCW-UHFFFAOYSA-N 405.690 5.427 5 40 HKBB Cn1c(=O)c2ccccc2n2c(C(=O)c3ccccc3)c3ccc4ccccc4c3c12 16756746 QPOBZWOHSHAEMC-UHFFFAOYSA-N 402.453 5.329 5 40 HKBB COc1c(C)cccc1C(=O)Nc1ccc2sc3ccc(Cl)cc3c(=O)c2c1 12462958 NVWGRTUDVZJJNS-UHFFFAOYSA-N 409.894 5.637 5 40 HKBB C[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)c1nc(-c2ccco2)no1 29737544 LJAYLYNUGABQCR-ZDUSSCGKSA-N 413.462 5.532 5 40 HKBB O=[N+]([O-])c1ccc(-c2csc(Cc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)n2)cc1 2030850 LCJZJOHISSHMNG-UHFFFAOYSA-N 424.463 5.341 5 40 HKBB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccccc1[N+](=O)[O-] 9435186 YMZOVRUZZBWXAX-HXOBKFHXSA-N 401.466 5.183 5 40 HKBB O=[N+]([O-])c1ccccc1CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1 1107234 QGULWEHAKDXFTB-UHFFFAOYSA-N 406.442 5.274 5 40 HKBB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1cc(=O)oc2ccc3ccccc3c12 3424995 HVVXLBGCFVNBHV-UHFFFAOYSA-N 424.239 5.049 5 40 HKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(-c2ccccc2)cc1 4666238 RYSAPVSAAKEZRJ-UHFFFAOYSA-N 407.494 6.334 5 40 HKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 118933565 KZOROHLNHZDSDQ-KGXPQEQKSA-N 415.662 7.673 5 40 HKBB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc([N+](=O)[O-])s1 11617344 IWYMPPSUISKVJG-UHFFFAOYSA-N 406.297 5.400 5 40 HKBB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 18087060 DVVOTUXKOYRRNA-ALFLXDJESA-N 417.509 5.448 5 40 HKBB COc1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 104369659 IPOPUBNMGKURNX-UHFFFAOYSA-N 416.531 5.815 5 40 HKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 408924473 JCFLDAGZBHJCQT-GXDHUFHOSA-N 404.491 5.847 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc(C(F)(F)F)c1 1768303 BSEWWQHWQAQKTG-UHFFFAOYSA-N 410.395 6.327 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(CCc1ccccc1)n1c3ccccc3nc21 5345922 INPBCTOMVQEREM-UHFFFAOYSA-N 418.500 5.156 5 40 HKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1Cl 409177424 AKCYYDBPXULDIJ-UHFFFAOYSA-N 418.232 6.051 5 40 HKBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 408812390 MXLQHPZZMOUFSJ-UNOMPAQXSA-N 422.418 5.104 5 40 HKBB O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(C1CCCCC1)C1CCCCC1 5525411 LQALTMQWDDPQRM-UHFFFAOYSA-N 413.562 5.693 5 40 HKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 214616049 VJNYEVCDXNZGLN-UDWIEESQSA-N 420.446 5.400 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 408554231 CMDCPBXLRLFITL-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)cc1 408559612 ABGWBUHAGJZCLI-XDOYNYLZSA-N 415.902 5.102 5 40 HKBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2274361 IBUXMDBPHVERFU-UHFFFAOYSA-N 411.509 5.091 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1 2949015 XZLDNFRUMWGATM-UHFFFAOYSA-N 424.432 5.852 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(C[C@@H](O)c1ccccc1)C1CCCCC1 4771281 RCDMWMWGNSIHNT-HXUWFJFHSA-N 417.893 5.148 5 40 HKBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])CC1 21595849 AOJPICUMPWCGAX-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 408995597 BLLZBSZXCJNPSS-UHFFFAOYSA-N 424.570 5.055 5 40 HKBB CC1(C)C[C@](C)(c2cccc([N+](=O)[O-])c2)c2ccccc2N1C(=O)c1ccccc1 1780735 NJQRBQVODSAILN-RUZDIDTESA-N 400.478 5.730 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nc(NCCc3ccccc3)c3ccccc3n2)cc1 2941485 LOONPUAINYYLQK-UHFFFAOYSA-N 416.506 5.485 5 40 HKBB COc1cc(/C=C/c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 1744183 KDMAQNLFZCJZDD-BQYQJAHWSA-N 409.825 5.646 5 40 HKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1cccc(Br)c1)CO2 2112438 YMPMQRYKDKHUOO-UHFFFAOYSA-N 422.278 5.374 5 40 HKBB biogenic Cc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 2245257 RSJBMHBVNBIDML-UHFFFAOYSA-N 409.493 5.016 5 40 HKBB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1Cl 16014173 HIHBIBAMMCFBMB-UHFFFAOYSA-N 423.881 5.701 5 40 HKBB O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408617680 DEIQNIIKPVCACA-UHFFFAOYSA-N 410.735 5.779 5 40 HKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 1802548 CLQHTXMHWRTNAX-HXUWFJFHSA-N 424.422 6.571 5 40 HKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl 3449924 UAIJWDJTXKDLCR-UHFFFAOYSA-N 409.298 5.472 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(OCc2cccc3ccccc23)cc1)c1c[nH]c2ccccc12 408565544 CGSXRDWDZVJNJH-AREMUKBSSA-N 422.484 6.309 5 40 HKBB CSc1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 3305355 ZJLLJSGBYSFHDY-UHFFFAOYSA-N 402.419 5.066 5 40 HKBB O=C(O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1Cc3ccccc3[C@@H]21 408993463 DEXLCALDBKXAFA-KAGYGMCKSA-N 420.852 5.417 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 7365265 GXODSHPBOHNGBW-UHFFFAOYSA-N 406.269 5.363 5 40 HKBB COc1cccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)c1 408994431 HNILAACXLULJFY-UHFFFAOYSA-N 400.463 5.650 5 40 HKBB CC[C@@]12Nc3ccc([N+](=O)[O-])cc3[C@@](CC)(C1=O)C(c1ccccc1)=C2c1ccccc1 5389787 DRJIZQKFRCKUNK-SXOMAYOGSA-N 424.500 6.011 5 40 HKBB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 8907693 MPQOWDSOBNRNGW-UHFFFAOYSA-N 405.690 5.427 5 40 HKBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(-c5ccccc5)ccc4o3)sc2c1 57352608 WRUWMDCOPAKZGT-UHFFFAOYSA-N 402.435 6.065 5 40 HKBB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 4079357 IFCTWWURXPONBJ-UHFFFAOYSA-N 411.439 5.144 5 40 HKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 408603133 AWXASNLXMBVTAY-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB CCN(CC)c1ccc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(=O)oc2c1 1792911 MLVNHNWMSCSDPO-UHFFFAOYSA-N 421.478 5.338 5 40 HKBB CC[N+](C)(CCCCCCCCC[N+](CC)(CC)CC)Cc1cc2ccccc2o1 4311985 LDIOHXJTIAHYPA-UHFFFAOYSA-N 416.694 7.007 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccc(F)cc1)n1c3ccccc3nc21 5351334 XFGKCCXFMFBKPG-UHFFFAOYSA-N 408.436 5.177 5 40 HKBB O=C(c1cc2c(ccc3ccccc32)oc1=O)c1cc2c(ccc3ccccc32)oc1=O 2074886 MKABILRKPAKNGR-UHFFFAOYSA-N 418.404 5.437 5 40 HKBB CCN(CC)C(=O)/C(=C/c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 3009833 YUOWZAGKCWODJH-XHPQRKPJSA-N 422.528 5.632 5 40 HKBB Cc1ccccc1N[C@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)cccc21 3013199 RPGCCIKJJHQPRZ-JPYJTQIMSA-N 415.493 5.804 5 40 HKBB CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccccc3[N+](=O)[O-])c2nc1C 4848524 ZJJOUMSFIRNUTA-UHFFFAOYSA-N 423.517 5.168 5 40 HKBB CC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c([N+](=O)[O-])c1 13144204 YDPMXZQJQYSRJX-UHFFFAOYSA-N 424.888 5.225 5 40 HKBB aggregator COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc2c1 32842231 XPRBNRKRBAMEJG-CQSZACIVSA-N 412.873 5.172 5 40 HKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1 408839176 OIGONIWUIVWYEZ-NTUHNPAUSA-N 419.245 5.461 5 40 HKBB CCCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225866048 MWYYFMRCHDBOSG-UHFFFAOYSA-N 411.502 5.318 5 40 HKBB CCN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2c(C)cccc2s1 7780353 VCGZMLXLZNOCPT-CSKARUKUSA-N 401.875 5.233 5 40 HKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 101361540 XCFZQISFVJEJMU-UHFFFAOYSA-N 420.421 5.228 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 408553470 ADKPRZAXFPVZSO-UHFFFAOYSA-N 413.817 5.348 5 40 HKBB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 4571494 XBHLRWYBHFCSFR-JEOXALJRSA-N 409.467 5.470 5 40 HKBB Cc1nn2c(c1-c1ccccc1)N=C(c1ccc([N+](=O)[O-])cc1)C[C@H]2c1ccccn1 14607615 OXZSHSFVPLUQBL-QFIPXVFZSA-N 409.449 5.276 5 40 HKBB Cc1nc(C)c(-c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)o2)s1 36392590 VOEZYWYQYVDYFB-UHFFFAOYSA-N 421.503 5.362 5 40 HKBB O=[N+]([O-])c1cccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)c1 408554839 DMHQBIWTFJLLBG-UHFFFAOYSA-N 402.425 6.078 5 40 HKBB O=C(Nc1ccc2ccccc2c1)Nc1ccc2sc3nc4ccccc4nc3c2c1 408997057 QIZBTAMNJDFRIM-UHFFFAOYSA-N 420.497 6.795 5 40 HKBB Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCc1ccccc1 1907097 VHCFIYSVDBDLCB-UHFFFAOYSA-N 402.295 5.743 5 40 HKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)c1 4969953 DXAHXTGWUKRXNU-UHFFFAOYSA-N 402.360 5.427 5 40 HKBB Cc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1C 17242860 DQOOFZAIRZCZOI-ZIADKAODSA-N 415.496 6.979 5 40 HKBB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 71854127 VUQIZDWUBMXLLN-UHFFFAOYSA-N 418.236 5.068 5 40 HKBB CCCCCC1CCC(c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)CC1 4036615 QHFVMTHXTGDEDD-UHFFFAOYSA-N 417.531 5.807 5 40 HKBB COc1cc(Br)c(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1OC 9583873 MZKATHVELYJSHP-VQHVLOKHSA-N 415.243 5.093 5 40 HKBB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12527992 QAFQIEPSDODOTN-KRWDZBQOSA-N 410.473 5.121 5 40 HKBB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 12624285 DLWKKSQLEIIHCX-UHFFFAOYSA-N 414.446 5.605 5 40 HKBB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc([N+](=O)[O-])o1 830425 HPAMIWQIFQIVAN-UHFFFAOYSA-N 418.192 5.555 5 40 HKBB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538503 BERRBOUSLSZXCM-LJQANCHMSA-N 424.541 6.230 5 40 HKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1CCc1ccccc1 9233889 APJHHWYCSYLVGP-JJIBRWJFSA-N 409.510 6.272 5 40 HKBB CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 17087836 RZHRMXUUVUYUSP-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB c1ccc(CC2CCN(Cn3c4ccccc4c4nc5ccccc5nc43)CC2)cc1 39379177 CHWHUYARKKKQIJ-UHFFFAOYSA-N 406.533 5.650 5 40 HKBB CCCCN(CCCC)CCNc1ccc(Cl)c2oc3cc(C)ccc3c(=O)c12 4721128 SHKHSTJVEUCKII-UHFFFAOYSA-N 414.977 6.222 5 40 HKBB COC(=O)c1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc1 96116206 KEJLHWPQFUQRMH-UHFFFAOYSA-N 401.422 5.071 5 40 HKBB biogenic CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 106728834 HSSKCDHCXFXKCE-VCRXTVNUSA-N 412.467 5.009 5 40 HKBB Cc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1Cl 4553117 YMHICQHHHIHJPQ-UHFFFAOYSA-N 408.797 5.150 5 40 HKBB CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 6431774 ZWCYZOSSJXGJTQ-UHFFFAOYSA-N 401.875 5.577 5 40 HKBB Cc1noc(C[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1[N+](=O)[O-] 19872768 CQKFWAZPMFOOGH-LJQANCHMSA-N 406.482 5.788 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccncc2)c(Cl)c1 60875189 QVQINKRFMNCIJK-UHFFFAOYSA-N 405.845 5.108 5 40 HKBB CCOc1ccc(-n2c(-c3ccccc3)cn3c4ccc5ccccc5c4nc23)cc1 1890378 CZXPONPSNWTNSD-UHFFFAOYSA-N 403.485 6.497 5 40 HKBB COc1cc(-c2cc(-c3ccccc3)nc3ccc4ncccc4c23)cc(OC)c1OC 12418810 OEFWBAHEKIBQLG-UHFFFAOYSA-N 422.484 6.143 5 40 HKBB COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 248330269 FHZDGUSPLSRXEE-BVKOHWRASA-N 406.482 5.295 5 40 HKBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/C=C/c1ccccc1 408848844 WJVVIBHURONGKK-DUEVJXGLSA-N 410.838 5.364 5 40 HKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)c(C)nc21 2411087 VTEUNCPWTHZDFU-UHFFFAOYSA-N 405.546 5.229 5 40 HKBB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 12805013 OINZNMJZJWBWMG-UHFFFAOYSA-N 410.817 5.145 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 970786 IAASVMXGURCTEI-NYYWCZLTSA-N 419.824 5.708 5 40 HKBB Cc1ccc(-c2c3nnc4ccccc4c3nc3sc4c(=O)oc(C)nc4c23)cc1 2150721 IMJBJYKRURPSCF-UHFFFAOYSA-N 410.458 5.178 5 40 HKBB CCCCC[C@@H](C[N+](C)(C)C/C=C\c1ccccc1)[C@H](O)c1ccc(CCCC)cc1 5973315 JUCVUHWBBMMCAO-KJHQVQMRSA-N 422.677 7.049 5 40 HKBB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17088237 XJFNEXNXVUWZOX-UHFFFAOYSA-N 409.467 5.105 5 40 HKBB COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 17089388 HBHKOPVYSYODJQ-JXMROGBWSA-N 412.829 5.477 5 40 HKBB Cc1cc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)ccc1[N+](=O)[O-] 32126219 ALSZTGPWWYIEAW-UHFFFAOYSA-N 423.428 6.117 5 40 HKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 101338779 QXKXPJKAULYFCV-UHFFFAOYSA-N 402.431 5.089 5 40 HKBB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccc(F)cc2)cc1 226068852 STWKPZIQPTVMKJ-QHCPKHFHSA-N 416.601 5.556 5 40 HKBB Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084863 CTLCAIPBNOGHEZ-JTSKRJEESA-N 401.466 5.495 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 13687875 BFMPKAGVIOWMGC-UHFFFAOYSA-N 417.248 5.733 5 40 HKBB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 17093185 FOBIVPNVWDVBHS-GOSISDBHSA-N 422.529 5.216 5 40 HKBB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)o1 102873307 BJGQAAKCHVQAQC-RXVVDRJESA-N 409.829 5.392 5 40 HKBB CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1 408577811 ZZLUKDGRUOWHAT-JOCHJYFZSA-N 416.477 5.554 5 40 HKBB Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c(C)c1 826983 KDBBBAZYDLZSBZ-UHFFFAOYSA-N 405.841 5.231 5 40 HKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C 9190316 YDJDDTWLARYGGX-UHFFFAOYSA-N 403.463 5.741 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 8774364 ZISNFUWXYMUHOP-UHFFFAOYSA-N 424.416 5.446 5 40 HKBB CC(C)c1ccc(OC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 12547030 FJMLSSBCEYQWHJ-UHFFFAOYSA-N 424.884 6.203 5 40 HKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccccc5Cl)nc34)c12 13644002 VHDILURCWODMQR-UHFFFAOYSA-N 401.829 5.454 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2cccc3ccccc23)cc1 27298441 RCLMKGDHXZSFKP-UHFFFAOYSA-N 411.417 5.253 5 40 HKBB CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O 409345558 MCMWCOMWQGPHJA-YBEGLDIGSA-N 420.899 5.456 5 40 HKBB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1CC(=O)c1ccc([N+](=O)[O-])cc1 3013217 UPDBKEYTWDVHDP-AREMUKBSSA-N 414.505 5.772 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3Cl)[nH]2)cc1 5729614 FOFKJKPREGGSND-UHFFFAOYSA-N 410.260 6.626 5 40 HKBB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215011046 RRHJNKVQJYRAGT-ONDHQXCVSA-N 412.467 5.009 5 40 HKBB Cc1noc(/C=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1[N+](=O)[O-] 408544836 VLZJDCVXHONTPJ-YVMONPNESA-N 405.237 5.947 5 40 HKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 408567062 GFIYGTYQJLPSNG-QGZVFWFLSA-N 423.325 5.301 5 40 HKBB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 7986667 GYFJQTLLYMUTOU-UHFFFAOYSA-N 405.435 5.154 5 40 HKBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)c1 12437095 BXEQXRAKTPGBPO-AZGAKELHSA-N 421.456 5.990 5 40 HKBB CC1(C)[C@H]2CC[C@@]1(C)c1c2c(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 100715880 SNDGZFPXIAECEC-UUOWRZLLSA-N 416.481 5.208 5 40 HKBB CC1CCN(C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 408977373 VQLFNWUCODKOEN-UHFFFAOYSA-N 422.492 5.143 5 40 HKBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1OC 408998306 ISXHNJVIKZMHBM-FOVJLYNBSA-N 402.450 5.083 5 40 HKBB O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccc(F)cc1 658483 NPCKSKNUATWJJP-UHFFFAOYSA-N 414.465 5.201 5 40 HKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 12777429 JHXKJCYSSQQWLA-CQSZACIVSA-N 413.861 5.055 5 40 HKBB Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 17093718 QTNZOTOVFQTUAT-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB COc1ccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cc1[N+](=O)[O-] 72047131 QZVAOAPVPQZCBU-UHFFFAOYSA-N 411.845 5.121 5 40 HKBB Cc1ccc(OC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 408975752 MQKWTAKEGJPQMX-UHFFFAOYSA-N 416.440 5.407 5 40 HKBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(Br)cc1 868206 YYTKZYZVGLWBAU-UHFFFAOYSA-N 422.238 5.760 5 40 HKBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2301883 JPWFIVAZIZVZMI-UHFFFAOYSA-N 411.509 5.009 5 40 HKBB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 3290440 YCUMGGXLSRADOW-OUKQBFOZSA-N 410.470 5.037 5 40 HKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 17091019 AUPYUBRNTZLOKU-UHFFFAOYSA-N 417.421 5.281 5 40 HKBB CC(C)n1ncc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(O)ccc4c3nc21 96115010 YCSHIABGXKTKOI-UHFFFAOYSA-N 424.460 5.136 5 40 HKBB biogenic Cc1ccc(COc2c(Cl)cc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 408613631 ZAPJPVGYFBDPRI-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB CCOC(=O)c1sc2ccc([N+](=O)[O-])cc2c1CSCCc1ccccc1 2049237 FOHWAIIDCZNMIF-UHFFFAOYSA-N 401.509 5.462 5 40 HKBB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccc([N+](=O)[O-])c1 3129766 ICZOOXAKPHGHIY-UHFFFAOYSA-N 401.447 5.638 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)cc1/C=C(\Cl)c1ccccc1 3845000 FZFHORCIEZPSME-IICJTNPGSA-N 406.825 6.410 5 40 HKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2Oc2ccc(Cl)cc2)c1 4721131 WXAHPDXPKXZNPK-MDWZMJQESA-N 403.825 6.154 5 40 HKBB O=C(CN(C1=NCCCCC1)c1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 8418439 ALBWPLUAHNLYAK-UHFFFAOYSA-N 419.403 5.275 5 40 HKBB COc1ccc(N/C=C/c2c([N+](=O)[O-])c3ccc(O)cc3n2-c2ccc(C)cc2)cc1 101155749 JWIXHXMPUKXBSN-BUHFOSPRSA-N 415.449 5.644 5 40 HKBB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1[N+](=O)[O-] 826574 FISVQTMQVQBALI-UHFFFAOYSA-N 423.812 5.317 5 40 HKBB O=[N+]([O-])c1ccc(Sc2nc3ccccc3n2Cc2ccccc2)c([N+](=O)[O-])c1 4853452 URNHGZJIFDZUCE-UHFFFAOYSA-N 406.423 5.052 5 40 HKBB CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 9239277 BNZSLMCULYYHLT-JOCHJYFZSA-N 401.466 5.663 5 40 HKBB O=c1c2ccccc2oc2cc(OCc3ccc(Br)cc3F)cc(O)c12 11865616 YSNQATOZZOLENL-UHFFFAOYSA-N 415.214 5.132 5 40 HKBB C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 23054924 UUGQUGJNWVIDNO-ZJUUUORDSA-N 416.692 5.233 5 40 HKBB COc1cc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3c2[nH]c2cc(Cl)c(F)cc32)cc1Cl 261507198 GKLVJGQIEHUUDF-RLBGWGEZSA-N 424.259 5.154 5 40 HKBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)c(C)nc32)c1 5164639 CXIKHZIYTUOKRZ-OAHLLOKOSA-N 411.509 5.125 5 40 HKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 8198284 PVWVOLCLTPZSNP-HNNXBMFYSA-N 415.449 6.169 5 40 HKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 408573999 UJBJGAXCCGGRAS-QFIPXVFZSA-N 416.477 5.473 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(Br)c1)N2 408993402 DODMMOLPHSUWBP-ILWGZMRPSA-N 421.294 5.828 5 40 HKBB O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1Sc1ccccc1 409106279 QVWUALOAUKZTMI-DEDYPNTBSA-N 406.488 5.831 5 40 HKBB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 5547995 ISMXCRPKZLQTKE-UHFFFAOYSA-N 409.829 5.061 5 40 HKBB S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1 38201842 LVCUKVDQGLESHQ-QGZVFWFLSA-N 424.529 5.418 5 40 HKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 72229265 STZGYKRCIVWYEI-UHFFFAOYSA-N 408.285 5.899 5 40 HKBB C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 84651742 AWLMJKBMSKMHRH-SECBINFHSA-N 413.783 5.325 5 40 HKBB O=C(NCc1cccc2ccccc12)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 222828575 KHCFOWPQGXWMJU-KOEQRZSOSA-N 408.457 5.605 5 40 HKBB Cc1ccc(N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)c2ccco2)cc1 4504547 LYJSNJQMDZJDFJ-UHFFFAOYSA-N 402.406 5.603 5 40 HKBB CC1(C)[C@@H]2CC[C@]1(C)c1c2c(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 100715887 SNDGZFPXIAECEC-HOYKHHGWSA-N 416.481 5.208 5 40 HKBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222990328 IPEUWRWKDBDLBS-SFTDATJTSA-N 422.510 5.022 5 40 HKBB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538538 BERRBOUSLSZXCM-IBGZPJMESA-N 424.541 6.230 5 40 HKBB Cc1ccc(C[N+]2(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CCCC2)cc1 226072196 NKPOLIOUPWKVTQ-AREMUKBSSA-N 402.558 5.213 5 40 HKBB CC(=O)Nc1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1C 1312180 HIZWSEAFDHWLDG-UHFFFAOYSA-N 420.421 5.011 5 40 HKBB O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1cccc([N+](=O)[O-])c1 101358816 VLENBIPVUNVAJI-UHFFFAOYSA-N 408.460 5.151 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 408999548 WVIBIKIEZBNONT-ILWGZMRPSA-N 410.395 6.085 5 40 HKBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 2424086 IKBDPHHJYQBATI-UHFFFAOYSA-N 411.509 5.125 5 40 HKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccc(Cl)cc3)nc21 2430541 RJFCYIGYDFZPHM-UHFFFAOYSA-N 419.912 5.074 5 40 HKBB CC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12517510 LKUNOZFMCRATDT-UHFFFAOYSA-N 409.530 5.697 5 40 HKBB CCC(CC)(NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(Cl)cc1 58355921 DKYCJZAISTZZHP-UHFFFAOYSA-N 400.866 5.103 5 40 HKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 826433 IMXHUZQJEMDWTM-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)o1 861633 GYORUYPVSKZULK-UHFFFAOYSA-N 410.429 5.987 5 40 HKBB O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc([N+](=O)[O-])cc3)N2c2ccc(Cl)cc2)cc1 2323100 BJBQPSQSWQWXFC-FQEVSTJZSA-N 424.800 5.054 5 40 HKBB Cc1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 2406001 TUXSRLVRFUFYST-UHFFFAOYSA-N 421.836 5.909 5 40 HKBB biogenic O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1 6602810 ROFCIVLMUHLXBZ-UHFFFAOYSA-N 414.918 5.914 5 40 HKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1Cl 17082076 RCTFATGBMKRIDZ-RMKNXTFCSA-N 400.793 5.608 5 40 HKBB C[C@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101441120 ADUSCLBPLUYBMZ-PBAAIKISSA-N 422.569 5.374 5 40 HKBB Cc1cc(OC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1Br 1560698 XTQFOWOLYHKDCP-UHFFFAOYSA-N 420.046 5.583 5 40 HKBB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 18067728 DVVOTUXKOYRRNA-DGQTTZFYSA-N 417.509 5.448 5 40 HKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccc3ccccc23)c1 27298362 UOXOCTYJDJIZET-UHFFFAOYSA-N 411.417 5.253 5 40 HKBB C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H](c1ccccc1)[C@@H]2[N+](=O)[O-] 104155603 NRHODLQXJWGMRZ-DROSFRCNSA-N 409.485 5.635 5 40 HKBB COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(OC)cc2)cc1 888925 XUQODCUAOKDYKC-NRFANRHFSA-N 402.450 5.261 5 40 HKBB O=C(C[C@H](c1ccccc1)[C@](Br)(c1ccccc1)[N+](=O)[O-])c1ccccc1 1603024 MMRUVTNJHKZMIH-IRLDBZIGSA-N 424.294 5.568 5 40 HKBB O=[N+]([O-])c1cccc(/C=C/C2=NN(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 5258001 ODPJNJWJQDSAJI-OTOIZHKDSA-N 414.421 5.524 5 40 HKBB Cc1noc(C)c1CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1 6650371 FWWHHUUDSIKIHE-UHFFFAOYSA-N 406.467 5.345 5 40 HKBB Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 16788703 POGVMTLBECWJPD-UHFFFAOYSA-N 402.479 5.443 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1-c1nc2ccccc2s1 32810207 FERPOLZTCBLYSP-UHFFFAOYSA-N 419.462 5.197 5 40 HKBB COc1ccc2cc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(Cl)nc2c1 95469910 VESXEXYRXXTTJX-UHFFFAOYSA-N 406.269 5.090 5 40 HKBB O=c1c2c3nc4ccccc4nc3n(CCC3=CCCCC3)c2ncn1C1CCCC1 2255903 SIKPIXWPHYRVPZ-UHFFFAOYSA-N 413.525 5.300 5 40 HKBB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 2621148 CHCUHZNAABIBMV-IBGZPJMESA-N 411.501 5.287 5 40 HKBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1c2ccccc2cc2ccccc12 2820981 QKQKIPWHMNXWHR-LPYMAVHISA-N 418.279 6.644 5 40 HKBB Cc1ccc(-c2cc(C(=O)OCc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1C 6480434 AQIZJODPYASLSA-UHFFFAOYSA-N 412.445 5.784 5 40 HKBB C[C@H](Oc1ccc(Br)cc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9703791 GSQYEPVDLXLEKQ-VIFPVBQESA-N 424.638 5.201 5 40 HKBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17093594 RKCXBFJFTZWTQJ-AWEZNQCLSA-N 423.494 5.495 5 40 HKBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222982051 FGPVVICMQTUPNB-NHCUHLMSSA-N 422.510 5.022 5 40 HKBB COc1cc2c(c([N+](=O)[O-])c1)O[C@@]1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C 2025721 BRICFEMJCYYVKO-RUZDIDTESA-N 414.461 5.835 5 40 HKBB Cc1cnn(-c2ccccc2)c1Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 3185707 VSSAURQDZYCAEM-UHFFFAOYSA-N 413.437 5.085 5 40 HKBB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4785666 ALYZJQCCXDFYMP-ZXBGJVLQSA-N 413.477 5.587 5 40 HKBB Cc1cc(Cl)ccc1OCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 6425294 IWGLUFGZLBMHPY-UHFFFAOYSA-N 408.837 5.030 5 40 HKBB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 216452771 ICORLJCFECAMBG-GXDFBKAQSA-N 400.478 5.630 5 40 HKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)cc1 408992866 UUGNPBRARMHDAG-UHFFFAOYSA-N 407.451 5.501 5 40 HKBB CCc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 4600284 WDMPSLNKIAMTOU-UHFFFAOYSA-N 412.445 5.729 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 9199843 DPKORNIXWQRHHB-UHFFFAOYSA-N 403.463 5.450 5 40 HKBB Cc1ccc2nc(-c3cc4c(ccc5cc(Br)ccc54)oc3=O)[nH]c2c1 13286501 XOAKKGIGXDWNCO-UHFFFAOYSA-N 405.251 5.560 5 40 HKBB Cc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1 5066100 WWOPNKULGDUSAC-UHFFFAOYSA-N 423.520 5.075 5 40 HKBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccccc1Cl)n1c3ccccc3nc21 5271430 JGQKNVRLLPBNIN-UHFFFAOYSA-N 410.864 5.208 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 6053941 PGBHVDKMBSBQQB-DGXIYAMASA-N 411.461 5.038 5 40 HKBB O=[N+]([O-])c1cccc(C2=NNC(c3ccccc3)=C(c3nc4ccccc4s3)C2)c1 12877904 LWMMULIPWHSNAE-UHFFFAOYSA-N 412.474 5.470 5 40 HKBB Cc1cc2nc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)oc2cc1C 16284207 DVKWYNSYIPFQPI-UHFFFAOYSA-N 417.421 5.037 5 40 HKBB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 2621149 CHCUHZNAABIBMV-LJQANCHMSA-N 411.501 5.287 5 40 HKBB CC(=O)n1c(-c2ccccc2)c(OC(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc21 3844598 ZSQASOMRGZXPHJ-UHFFFAOYSA-N 400.390 5.096 5 40 HKBB biogenic O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccncc3)nc2c1 9236929 JMSIVCUIDAKKPZ-QHHAFSJGSA-N 420.812 5.103 5 40 HKBB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1 253578471 YJYLKPFZDKGKSK-RDPSFJRHSA-N 409.530 5.285 5 40 HKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 408620534 HAWBGSBKRCFJDD-UHFFFAOYSA-N 402.878 5.622 5 40 HKBB O=C(O[C@@H](c1ccc(Cl)cc1)[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 984523 FINLGLKBPUVPPK-VQTJNVASSA-N 423.808 5.058 5 40 HKBB Cc1cccc(Nc2nc(-c3ccccc3)c(Oc3ccc([N+](=O)[O-])cc3)s2)c1 2051841 OYRMORWKZAWKID-UHFFFAOYSA-N 403.463 6.563 5 40 HKBB O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)CC1 13143436 YRZFCIYJGPXHAI-UHFFFAOYSA-N 418.284 5.071 5 40 HKBB CCCCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 59483694 GGXNSXABSPUJBP-QHCPKHFHSA-N 401.466 5.709 5 40 HKBB CC(=O)Oc1cn(-c2ccc(C)c(Cl)c2)c2nc(C)n3c4ccccc4nc3c12 2337748 QDXMZKNNGGXQSD-UHFFFAOYSA-N 404.857 5.022 5 40 HKBB Cc1cc2c(cc1[N+](=O)[O-])-c1c(ssc1=S)C(C)(C)N2C(=O)CC(C)C 4844202 VASKWAUAMVUHBG-UHFFFAOYSA-N 408.570 6.051 5 40 HKBB O=c1c(Cl)c2cc3c(cc2c2ccccc12)nc1ccccc1n3C1CCCCC1 5390001 AXUDMAHTWJYEOF-UHFFFAOYSA-N 412.920 7.015 5 40 HKBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Cl)ccc2o1 9327852 PVWLSWVBVKPNDL-UHFFFAOYSA-N 400.847 5.082 5 40 HKBB O=c1oc2ccccc2c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(ccc3ccccc13)N2 101787634 ZPMWXEGOXHNGNP-QFIPXVFZSA-N 420.424 6.092 5 40 HKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(Cl)c1 408603062 AMBOAICHECNLOV-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB COc1ccc([N+](=O)[O-])cc1C1N(c2ccc(C)cc2)CCN1c1ccc(C)cc1 3079946 FBDLZMGYRCADHS-UHFFFAOYSA-N 403.482 5.246 5 40 HKBB CCOC(=O)c1c(-c2ccccc2)csc1NSc1ccccc1[N+](=O)[O-] 3218822 AFVXGWGGYBFNQT-UHFFFAOYSA-N 400.481 5.619 5 40 HKBB O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 4014477 PXKNWLPOGFDTEA-UHFFFAOYSA-N 418.837 5.153 5 40 HKBB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] 5795506 GKCCIUGRENDEJI-UHFFFAOYSA-N 415.449 6.087 5 40 HKBB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408975200 JANAFOGZGVLAJB-UHFFFAOYSA-N 405.571 5.766 5 40 HKBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(c1ccccc1)c1ccc2ccccc2c1 3146547 FLOCMUCXBRJCBR-UHFFFAOYSA-N 413.389 5.635 5 40 HKBB CCCCCn1c2nc3ccccc3nc2c2c(=O)oc(-c3ccc(F)cc3)nc21 3193552 SFELNTFNBLWSJF-UHFFFAOYSA-N 402.429 5.082 5 40 HKBB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc2cc([N+](=O)[O-])ccc2s1 3200277 AXSHSXJZDZGGFP-UHFFFAOYSA-N 407.476 5.284 5 40 HKBB C[C@H](OC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)c1ccccc1[N+](=O)[O-] 58391965 RGCBCSJZYCDRKC-INIZCTEOSA-N 405.454 5.103 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@H](c1c(O)ccc3ccccc13)c1c(ccc3ccccc13)O2 89873113 JQUJQYUFNJWGIK-HHHXNRCGSA-N 419.436 6.893 5 40 HKBB O=C(O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 2161179 PPIPRCBNQISFCA-UHFFFAOYSA-N 413.838 5.329 5 40 HKBB O=C(OCCOc1ccc(Br)cc1)c1c2ccccc2cc2ccccc12 3289516 PIVBQWRXWJSKQA-UHFFFAOYSA-N 421.290 5.991 5 40 HKBB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 5662940 WVYIDHBYTNMLJO-UHFFFAOYSA-N 424.023 5.159 5 40 HKBB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)c1ccc([N+](=O)[O-])cc1 6414266 NUJPDSLRYORGDR-UHFFFAOYSA-N 401.447 5.180 5 40 HKBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 10120056 NXRNTZWPPLQUOL-UHFFFAOYSA-N 407.813 5.233 5 40 HKBB c1ccc(-c2cccc3c(-c4ccccc4)c4cccc(-c5ccccc5)c4cc23)cc1 68568354 CLBYGUBRBAEDGE-UHFFFAOYSA-N 406.528 8.994 5 40 HKBB biogenic O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 945278 FZFVEVZWGHGKPZ-UHFFFAOYSA-N 401.249 5.749 5 40 HKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc2ccccc2c1 2326164 QKOHSGGNLXTYCR-UHFFFAOYSA-N 419.484 5.979 5 40 HKBB COc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Br 2370093 AJZLYKGZCVRZEU-UHFFFAOYSA-N 403.279 6.307 5 40 HKBB O=[N+]([O-])c1ccc(Oc2cccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)c2)cc1 4480916 RRZJYQJFVPPENG-UHFFFAOYSA-N 404.338 5.012 5 40 HKBB CCC(=O)c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 5642332 MOHNBXZHRJROIJ-UHFFFAOYSA-N 411.841 6.212 5 40 HKBB CC[C@@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 13757228 AHJVMUCXWPUDTK-VXWZWFMZSA-N 415.493 5.823 5 40 HKBB C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16046523 LDQODGHWONLKNO-LLVKDONJSA-N 419.915 5.491 5 40 HKBB CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1-n1cccc1 1089555 YWAFPJAHTUOQMN-UHFFFAOYSA-N 404.513 5.525 5 40 HKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])s1 3187586 HINWVCKEGPPHNP-UHFFFAOYSA-N 407.476 5.699 5 40 HKBB C[C@@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)[C@H]1C[C@@H]2CC[C@@H]1C2 101441132 ADUSCLBPLUYBMZ-CYGYJROPSA-N 422.569 5.374 5 40 HKBB Cc1ccc(C)n1N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1 408681215 HJEOXFUPCZNNQJ-UHFFFAOYSA-N 418.280 5.299 5 40 HKBB Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1-c1cccc(Cl)c1 937385 IFJFKVQMQLHFGM-UHFFFAOYSA-N 408.266 5.586 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(Cc3ccc(OCCC(C)C)cc3)c12 2382816 FSWAVZULAGCLFH-UHFFFAOYSA-N 409.533 6.519 5 40 HKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 8198210 PKZUDMMLJDTQMC-HNNXBMFYSA-N 415.449 6.169 5 40 HKBB CC(C)(C)c1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409177949 HOYVRLGCKGSWPY-UHFFFAOYSA-N 405.450 6.042 5 40 HKBB CC1=C[C@@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 30883349 YVTJJNCBOYPJBN-ZJOUEHCJSA-N 412.534 5.040 5 40 HKBB biogenic,in-vitro O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 30945842 SPFZZHWZSUGNLD-UHFFFAOYSA-N 421.884 5.059 5 40 HKBB Cc1ccc(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 48304301 KKFRNTSPMLJIKP-MRXNPFEDSA-N 404.422 5.074 5 40 HKBB COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 100017120 FHZDGUSPLSRXEE-NXQKYAITSA-N 406.482 5.295 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Br)cc1)N2 408996065 KVDHFXXRFBKMCW-BVSLBCMMSA-N 421.294 5.828 5 40 HKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 5034524 ZRAZDYAKCHLTEW-UHFFFAOYSA-N 407.209 5.423 5 40 HKBB O=[N+]([O-])c1ccc(Cl)c([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 102667401 BCNDJSDNWNHVQG-JOCHJYFZSA-N 420.877 6.499 5 40 HKBB O=c1cc(CSc2ncc(C(F)(F)F)cc2Cl)c2c(ccc3ccccc32)o1 3303390 PRLUZANXGZNTBA-UHFFFAOYSA-N 421.827 6.306 5 40 HKBB CCOc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 4646329 CWTIZUIMKXREDB-UHFFFAOYSA-N 413.433 5.461 5 40 HKBB CC[C@]12Nc3ccc([N+](=O)[O-])cc3[C@](CC)(C1=O)C(c1ccccc1)=C2c1ccccc1 5389786 DRJIZQKFRCKUNK-RRPNLBNLSA-N 424.500 6.011 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408609101 NYUZONBPAUTKTI-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1[C@@H](Cc1ccccc1)c1ccccc1 8642229 NTEKPJXABRFXGG-QHCPKHFHSA-N 422.440 5.328 5 40 HKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2cccc3ccccc23)cc1 27298436 NWVRHBMCFAOQGO-UHFFFAOYSA-N 411.417 5.253 5 40 HKBB Cc1c(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cccc1[N+](=O)[O-] 32126907 UWBNHYWSLLTTJL-UHFFFAOYSA-N 423.428 6.117 5 40 HKBB Cc1cccc(-c2c3ccc4cc(O)ccc4c3oc3c2ccc2cc(=O)ccc23)c1 90397926 SHYSWDIJAFDQED-UHFFFAOYSA-N 402.449 6.934 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCCOc4cc(Cl)ccc43)cs2)c1 95989232 RMURNSVSHPHWMH-GOSISDBHSA-N 415.902 5.375 5 40 HKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)o1 409180029 URGBPOGMFLJVQL-UHFFFAOYSA-N 418.199 5.100 5 40 HKBB Cc1cccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c1 1311845 JQSRJZZUWIUNQA-UHFFFAOYSA-N 419.436 6.566 5 40 HKBB O=C(CSc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1 2559117 VTUBTOOISADVLL-UHFFFAOYSA-N 408.760 5.137 5 40 HKBB Clc1ccc(Oc2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)cc1 3348984 HNOYMISSCFCNAS-UHFFFAOYSA-N 420.899 7.982 5 40 HKBB O=[N+]([O-])c1c(Nc2cc(Cl)ccc2Cl)cc(N2CCCCC2)c2nonc12 4658743 YLZXBBLJVUBEHT-UHFFFAOYSA-N 408.245 5.172 5 40 HKBB CCC(=O)Oc1cn([C@@H](C)c2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 13237913 LKUHAMCUEYJZOC-INIZCTEOSA-N 412.493 5.324 5 40 HKBB COc1ccc([N+](=O)[O-])cc1CSc1ncc(-c2ccccc2)n1-c1ccccc1 24865129 VGHCGKOGAKOOOW-UHFFFAOYSA-N 417.490 5.748 5 40 HKBB CN(C)c1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 33870396 SZXPOCBIGJEPMI-UHFFFAOYSA-N 413.506 5.708 5 40 HKBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 830424 OOTLIRYJKRHPOQ-UHFFFAOYSA-N 418.192 5.555 5 40 HKBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)c1 2251906 SHIYIQIYZBVUEH-UHFFFAOYSA-N 409.493 5.016 5 40 HKBB O=[N+]([O-])c1ccc(Oc2nc(-c3cccs3)nc3ccccc23)c2ncccc12 5937520 LIFSQFHZKCHKDC-UHFFFAOYSA-N 400.419 5.607 5 40 HKBB CC[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1c(C)nn(-c2ccccc2)c1C)N(C)C 5938712 UQDBOGALLPJZFM-GDLZYMKVSA-N 411.446 5.052 5 40 HKBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 225866137 KJSJQRFNRQHFLY-UHFFFAOYSA-N 419.481 5.382 5 40 HKBB Cc1cc2nc(-c3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3Cl)oc2cc1C 678118 WUYOTOLCXUAPAV-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 823296 HNWIQTFCUIQREX-UHFFFAOYSA-N 411.417 5.253 5 40 HKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C 2222866 QMBGWKGHSHXSRA-INIZCTEOSA-N 411.509 5.180 5 40 HKBB Cc1ccc2c(Cl)cc(Cl)c(OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2n1 2623250 HQWWWWAPAPOEPO-UHFFFAOYSA-N 421.236 5.204 5 40 HKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1OC 3205178 UXANYJQFQFBTRR-NRFANRHFSA-N 402.450 5.032 5 40 HKBB aggregator C[N+]1(C)CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 4372347 YONDXVJAUPDSFK-AREMUKBSSA-N 424.568 5.464 5 40 HKBB CCCCOc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc([N+](=O)[O-])cc2)cc1 5250185 XAUSXKAYJGUTCH-DEOSSOPVSA-N 418.493 6.200 5 40 HKBB CC(C)OC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 12401621 UWRHLYPGGHLBHE-UHFFFAOYSA-N 422.890 5.006 5 40 HKBB CC(=O)Nc1cc(NCCC(c2ccccc2)c2ccccc2)c(F)cc1[N+](=O)[O-] 12727464 KDWXBBBKZSSYRB-UHFFFAOYSA-N 407.445 5.326 5 40 HKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1cccs1 32781450 KRJPOSAGSMYFNL-QGZVFWFLSA-N 404.900 5.159 5 40 HKBB CN1C/C(=C/c2ccccc2)C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)[C@@H]2C1 51330427 NHEVDTXSNBOERE-PVNZIPKOSA-N 424.504 5.157 5 40 HKBB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 215280263 RVJKFUVQRUHUSJ-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N+]1(Cc2ccc(F)cc2)CCCC1 226072173 XBNRZTPWWMUREY-RUZDIDTESA-N 406.521 5.043 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cc(C(=O)O)ccc1C 952236 NHYUMPXXTFFVTB-UHFFFAOYSA-N 400.434 5.315 5 40 HKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 1009432 LCSMUWGLEIKRTG-UHFFFAOYSA-N 415.449 5.889 5 40 HKBB COc1cc(C)c(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1C(C)C 4603092 VLWXTHNPLPUECC-MFOYZWKCSA-N 414.845 5.033 5 40 HKBB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5446731 QKCXYUBGKQDIJP-UHFFFAOYSA-N 416.890 5.101 5 40 HKBB CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 9829695 RGOSISCHFYVZDV-UHFFFAOYSA-N 424.507 5.070 5 40 HKBB Cc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] 17083303 WERLLQBWYKNXJH-UHFFFAOYSA-N 406.221 5.827 5 40 HKBB O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 21540926 VLPKFXFJEBBLBB-UHFFFAOYSA-N 407.901 5.160 5 40 HKBB Cc1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 33701587 QLILIWLXPJNKOE-UHFFFAOYSA-N 415.456 5.440 5 40 HKBB O=C(NCCSC1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409025984 CRZICJIPLNMBQB-OQKWZONESA-N 410.539 5.318 5 40 HKBB CCOc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409114768 LBHQUHCRRPUKRL-UHFFFAOYSA-N 406.482 5.801 5 40 HKBB O=[N+]([O-])c1ccc(-c2cn3c4ccccc4n(Cc4ccc(Cl)cc4)c3n2)cc1 1304250 ZAHPWLHZYYFWMC-UHFFFAOYSA-N 402.841 5.566 5 40 HKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 12982703 HJBCYTKLAUGUEC-LBPRGKRZSA-N 401.875 5.205 5 40 HKBB CC(C)(C)c1cc(C(C)(C)C)c2oc3c(C(C)(C)C)cc(C(C)(C)C)c(=O)c-3nc2c1 3846789 OGSCXTIYBPFZTR-UHFFFAOYSA-N 421.625 7.483 5 40 HKBB biogenic Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(-c2nc3ccccc3s2)c1C 5255678 FANFFUMMTGCWEZ-UHFFFAOYSA-N 409.492 5.802 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1cccc(Br)c1 8040520 XTEZVSNGEUUOMC-UHFFFAOYSA-N 408.255 5.422 5 40 HKBB Cc1nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c(C)c1Cc1ccccc1 50266489 VPHMPWGMHFPEED-UHFFFAOYSA-N 417.490 5.225 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCc1ccccc1 409004940 CKGAQIQNAXXRTN-ZHZULCJRSA-N 420.446 5.134 5 40 HKBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C2/Sc3ccccc3NC2=O)cc1 409093952 BWAGUWODDVSYLN-FYJGNVAPSA-N 420.515 6.140 5 40 HKBB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)c1 409101893 ZKONBPASJRMMPQ-UHFFFAOYSA-N 416.506 5.367 5 40 HKBB O=[N+]([O-])c1ccc(/C=C2\c3cc(Cl)ccc3-c3c(Cl)cc(Cl)cc32)cc1 1723747 DSQLJTVYUISMMW-FRKPEAEDSA-N 402.664 7.124 5 40 HKBB CC(C)(C)c1ccc(Oc2ncnc(Oc3ccc(C(C)(C)C)cc3)c2[N+](=O)[O-])cc1 4106755 OYUAFKFPLORNGI-UHFFFAOYSA-N 421.497 6.564 5 40 HKBB C[C@H]1CCc2c(c(-c3cc(Br)ccc3O)nc3ccc4ccccc4c23)C1 4618369 ITNNZGDNIQSBEQ-AWEZNQCLSA-N 418.334 6.648 5 40 HKBB Cc1c(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cccc1[N+](=O)[O-] 4979996 OIBMCAZPSJPDNW-UHFFFAOYSA-N 418.389 6.621 5 40 HKBB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118925417 PHBJORRJHSVXIA-WKDDSVOISA-N 400.671 6.233 5 40 HKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccccc1Cl 2331312 SKDMBRFNFUYEDN-UHFFFAOYSA-N 403.869 5.479 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12979207 GITCFQLSLMZLCT-UHFFFAOYSA-N 417.874 5.153 5 40 HKBB O=c1[nH]n(C2CCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3cccnc3)c12 79191060 HWBBCJHQXLTVMH-UHFFFAOYSA-N 414.465 5.287 5 40 HKBB biogenic O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)o1 100632936 FCHOKNWZSCXLED-FATZIPQQSA-N 419.412 5.956 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 408995762 NFQIUEXHDOSLEQ-BUVFEPMLSA-N 411.288 6.373 5 40 HKBB CN(C)C(=O)C(CC[N+]1(C)CCCC12CCCCC2)(c1ccccc1)c1ccccc1 1641381 IFZMRSOVOJVENG-UHFFFAOYSA-N 419.633 5.394 5 40 HKBB Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCCCC1 2357541 KAJVVLVKBUTYIG-UHFFFAOYSA-N 413.521 5.119 5 40 HKBB Cc1cc(C)c2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 6571451 KAUBMBDTCOVJMS-UHFFFAOYSA-N 410.499 5.064 5 40 HKBB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 13615685 HCWDMONZIDPUKF-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 33665034 HRLVLWJTEPZLDP-UHFFFAOYSA-N 406.555 6.334 5 40 HKBB COc1ccc([C@H]2C=C(O)c3ccccc3O2)cc1COc1ccc([N+](=O)[O-])c(C)c1 100816546 ZBZPDNPHPYLOJP-XMMPIXPASA-N 419.433 5.523 5 40 HKBB O=C(Nc1ccc2c3c(cccc13)CC2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223426626 AZYKCNFSKSNENH-JJIBRWJFSA-N 420.468 6.026 5 40 HKBB CCCCc1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1 5484690 OSCFGMRWZJPLFP-UHFFFAOYSA-N 412.493 5.403 5 40 HKBB CC(C)c1ccc(/C=C(\Cl)c2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1[N+](=O)[O-] 21190622 PJJZWZRPQJYJRU-ZSOIEALJSA-N 415.902 5.242 5 40 HKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCc2ccccc2)cc1 44086579 RCXGJTXHJDCPDA-UHFFFAOYSA-N 401.491 6.048 5 40 HKBB Brc1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1 198838070 KXPFJAIKSHJVTM-UHFFFAOYSA-N 409.326 8.090 5 40 HKBB CCn1c2ccccc2c2cc(-n3c(=O)c4ccccc4c4ccccc4c3=O)ccc21 1719568 DLEHZWVWMMXYEJ-UHFFFAOYSA-N 416.480 5.632 5 40 HKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc(Cl)c(Cl)cc1Cl 2716188 GHGCAAFCFZKNEU-UHFFFAOYSA-N 402.664 5.464 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Cl)c1)O2 12194977 USLGAOABFQHACH-IRLDBZIGSA-N 405.841 5.491 5 40 HKBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1cccc2ccccc12 106719683 INPCUTHTQJJYFO-ODLFYWEKSA-N 424.865 5.638 5 40 HKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1CC1CCCCC1 409133701 MMZOEPRPADWYQL-HZHRSRAPSA-N 401.531 6.610 5 40 HKBB O=c1c2ccccc2c(=O)c2c1c(NC1CCCCC1)cc1oc3ccccc3[nH]c12 4255717 WROZYKPIMWQMDD-UHFFFAOYSA-N 410.473 5.686 5 40 HKBB CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 4663427 AHJVMUCXWPUDTK-CUHUQNRHSA-N 415.493 5.823 5 40 HKBB Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3cc([N+](=O)[O-])ccc32)cc1 5337646 FDUMEYJSHNJAPS-AWNIVKPZSA-N 400.394 5.321 5 40 HKBB Cc1nc2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)ccc2n1-c1ccccc1 8706399 PXWKEPSTKMNDHO-UHFFFAOYSA-N 403.467 5.051 5 40 HKBB CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 409141612 WAVPPIPBQWUQDV-UHFFFAOYSA-N 423.281 5.144 5 40 HKBB O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O)c1ccccc1 409223787 HTTJBIBGKIHNBU-BUVRLJJBSA-N 423.493 5.912 5 40 HKBB O=[N+]([O-])c1cc(CSc2ccc(F)cc2)ccc1Sc1ccc(Cl)cc1 4085087 BLYHGRGBRYPVIK-UHFFFAOYSA-N 405.903 6.831 5 40 HKBB COc1ccc2nc3ccccc3nc2c1NC(=O)Nc1ccc(Cl)c(Cl)c1 5671037 BDNZSSYMOREWKS-UHFFFAOYSA-N 413.264 5.742 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c1 408558669 SCZAPFMQTRNFLR-UHFFFAOYSA-N 418.880 6.593 5 40 HKBB Cc1c(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)cccc1[N+](=O)[O-] 408634647 TWPVGETZOQOZPM-ODLFYWEKSA-N 422.418 5.522 5 40 HKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 4906080 GJZIPRUXPRCTNV-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(-c2ccccc2)c(F)c1 12960619 LMJKFADTBGRQGV-UHFFFAOYSA-N 422.290 6.120 5 40 HKBB COc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-] 17087594 DJXULDQJGHNXGR-UHFFFAOYSA-N 407.209 5.423 5 40 HKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408541944 GSJMUEHBLIZKDR-LUAWRHEFSA-N 414.845 5.693 5 40 HKBB O=[N+]([O-])C[C@H](c1ccccc1OCc1ccccc1Cl)c1c[nH]c2ccccc12 408567096 GKNAMXMJJOIATJ-HXUWFJFHSA-N 406.869 5.809 5 40 HKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CCc1ccccc1 409218167 SWACSXWFFXIHMR-XSFVSMFZSA-N 420.446 5.134 5 40 HKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(Cl)cc1 2202282 KWFKWNVNAXTVHM-UHFFFAOYSA-N 403.869 5.479 5 40 HKBB CCOc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 20459123 XGJRLDCFJZWCKQ-KHCKMINHSA-N 416.477 5.412 5 40 HKBB O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 334160624 IWMOLJCNFUBBIK-UHFFFAOYSA-N 422.491 5.023 5 40 HKBB O=C(OCC(=O)c1cccs1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 409179817 VKHMBXXNYGSRHP-UHFFFAOYSA-N 417.826 5.142 5 40 HKBB C[C@H]1CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc21 1301496 RCYNDAWMERDRRT-LBPRGKRZSA-N 414.914 6.396 5 40 HKBB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc([N+](=O)[O-])s1 2659820 UVIVQCJHVPVMIF-UHFFFAOYSA-N 400.268 5.339 5 40 HKBB CCCCC(=O)Oc1cn(CCCC)c2nc(CCCC)n3c4ccccc4nc3c12 5458100 VDWPARFPJVHTIR-UHFFFAOYSA-N 420.557 6.076 5 40 HKBB Brc1oc2cc3oc4c(oc3cc2oc1Br)CCC=C4 95871178 GPBOIHUYBWTCBC-UHFFFAOYSA-N 400.022 5.974 5 40 HKBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCCCC1 5506292 SZBIDGWXMNGXJH-LJQANCHMSA-N 416.861 5.052 5 40 HKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl 14785202 XWGMFEGMCVAXLL-QHHAFSJGSA-N 416.058 5.316 5 40 HKBB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 59428166 HYPQEWNVAGVBMU-JTSKRJEESA-N 401.466 5.116 5 40 HKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl 408622017 PHEVZFAMXKWSNL-UHFFFAOYSA-N 403.649 5.189 5 40 HKBB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 825304 QWMVVJNHZZEJKU-JOCHJYFZSA-N 400.478 5.465 5 40 HKBB CCCCOc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 6310745 SEPNHZZFSODKEM-UHFFFAOYSA-N 421.449 5.923 5 40 HKBB O=C(c1cc(Cl)sc1Cl)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 63449531 WOENEOXUDMJFOX-UHFFFAOYSA-N 405.690 5.673 5 40 HKBB COc1ccc([C@H](Nc2cccc([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1 1800283 PPCSRPJKXARTHQ-HXUWFJFHSA-N 422.418 5.757 5 40 HKBB O=C(OCc1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1)c1cccc(Cl)c1 3105643 HTICRVUQIGXZEG-UHFFFAOYSA-N 419.767 5.676 5 40 HKBB CC[N+]([O-])(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 3647465 PGHWCZITRQNIPM-OCEACIFDSA-N 421.968 6.575 5 40 HKBB in-man CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 5249609 KECGORMLLOGTKO-MRXNPFEDSA-N 411.509 5.378 5 40 HKBB O=C(Nc1ccc2nc3ccccc3nc2c1)c1cccc2nc3ccccc3nc12 5259163 MPKQMYCJSGNGRI-UHFFFAOYSA-N 401.429 5.132 5 40 HKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c1 8969335 AERHYJIYADWLAY-NRFANRHFSA-N 422.282 5.713 5 40 HKBB CCOc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1[N+](=O)[O-] 32127577 DUBKRGFGKDINRQ-UHFFFAOYSA-N 412.254 5.162 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]31N2 102666880 BTGZMYYPTSGPIQ-VMODYCNZSA-N 423.516 6.552 5 40 HKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1Oc1ccccc1 11248198 OJDGUIXAKSCCNY-UHFFFAOYSA-N 420.468 5.586 5 40 HKBB CCN(CC)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1 59490024 SNQLCUOMMCFGLZ-OAQYLSRUSA-N 403.910 5.016 5 40 HKBB O=[N+]([O-])c1ccc([C@H](O)Cn2c(-c3ccccc3)csc2=Nc2ccccc2)cc1 254706122 LIEFKALAPHUTRD-JOCHJYFZSA-N 417.490 5.091 5 40 HKBB COc1cc(-c2nc3c([nH]2)c2c4cccc(C)c4ccc2c2occ(C)c32)ccc1O 1547205805 KJLFSLMTJZZQBQ-UHFFFAOYSA-N 408.457 6.614 5 40 HKBB biogenic Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084861 CTLCAIPBNOGHEZ-VGSWGCGISA-N 401.466 5.495 5 40 HKBB CCCCCN(CCCCC)C[C@@H](O)c1ccc2cc(Cl)c3ccccc3c2c1 5973208 XBHJMKMTVBMUCF-AREMUKBSSA-N 412.017 7.362 5 40 HKBB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2c4ccccc4cc4ccccc24)N3)C1 6654908 ZNOLDCNFPHBRBR-HSZRJFAPSA-N 413.546 5.861 5 40 HKBB COc1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 409003192 YMILDHYVYFVZNW-UHFFFAOYSA-N 400.463 5.650 5 40 HKBB CCCCOC(=O)COc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc12 5554549 BIABVYBOFSEIIF-UHFFFAOYSA-N 402.446 5.335 5 40 HKBB Cc1cc2nc(/C=C/c3ccc(N(C)c4ccccc4)c([N+](=O)[O-])c3)sc2cc1C 6044191 XSSBNBOMNZENHM-ZRDIBKRKSA-N 415.518 6.760 5 40 HKBB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccc([N+](=O)[O-])cc3)n2)cc1C 17088914 SDZAKVHYKMUUNV-UHFFFAOYSA-N 411.505 6.407 5 40 HKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl 72229226 MQMWFLLJBIQPRP-UHFFFAOYSA-N 408.285 5.899 5 40 HKBB Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Cl)cc2)cc1 13739009 KGTBJLZJQRAJJZ-UHFFFAOYSA-N 407.904 7.060 5 40 HKBB COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(-c3cccc([N+](=O)[O-])c3)c2)c1 1735366 IFILJHSCMZUQKH-UHFFFAOYSA-N 412.445 6.008 5 40 HKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2306419 FIYVZAGIMXQFEJ-UHFFFAOYSA-N 415.472 5.003 5 40 HKBB CCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1OC 2406675 HTFXYQAQKIRXCQ-UHFFFAOYSA-N 411.505 5.892 5 40 HKBB Cc1ccc(-c2csc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)n2)o1 4174159 UOVKGOLHGGBVMD-UHFFFAOYSA-N 402.431 5.223 5 40 HKBB CC(C)Cn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nc2ccccc21 6186900 IGZMSHHUZJMEGR-UHFFFAOYSA-N 414.530 6.244 5 40 HKBB O=[N+]([O-])c1ccc(OCc2cccc(Cl)c2)c(/C=C2\SC(=S)N=C2O)c1 16713011 IYXYTNNQGCQAFW-NVNXTCNLSA-N 406.872 5.156 5 40 HKBB Cc1ccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)c(C(C)(C)C)c1 226071858 FXHBFOTWBZKDTM-DEOSSOPVSA-N 410.622 5.623 5 40 HKBB Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409115072 IGOCPMUDOSPQLC-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB O=C(Nc1ccccc1C(F)(F)F)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408908573 WIRKTJXFDYLDQR-NBVRZTHBSA-N 412.367 5.793 5 40 HKBB CCCCCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1836138 YCRYCSJZVGJRPR-NRFANRHFSA-N 424.561 5.103 5 40 HKBB biogenic O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 6884730 RNJMTYNMNKECDR-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 656866 HXSNFCAAQOEMOF-UHFFFAOYSA-N 420.812 5.218 5 40 HKBB COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(NC(=O)c3ccco3)c12 1089482 SKJIXZVAADGNMI-UHFFFAOYSA-N 423.450 5.172 5 40 HKBB Cc1ccc(C)c2c1c1nc3ccccc3nc1n2CCOc1ccccc1Cl 5324510 RCJGRKMYHBFGFW-UHFFFAOYSA-N 401.897 6.087 5 40 HKBB CC(C)C(=O)Oc1cn(-c2ccccc2)c2nc(C(C)C)n3c4ccccc4nc3c12 6804481 UTUJZQRLBRDTAD-UHFFFAOYSA-N 412.493 5.511 5 40 HKBB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 14413291 MPVCJYANNLSSFW-UHFFFAOYSA-N 403.221 5.946 5 40 HKBB C[C@]1(C(=O)Nc2ccc3sc4ccc(Cl)cc4c(=O)c3c2)CC1(Cl)Cl 15108455 ZRYSNSNXXVOISA-QGZVFWFLSA-N 412.725 5.591 5 40 HKBB C[C@H](Nc1cccc(OC2CCCC2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 40062471 NGVYNVYYJNPBPT-ZDUSSCGKSA-N 403.866 5.009 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(-c3nc4cc(-c5ccccc5)ccc4o3)cc2)cc1 226294844 BYRXDDWZXDWKRF-UHFFFAOYSA-N 422.440 6.649 5 40 HKBB CC(C)Oc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 408563282 KYUHPDMFYCJRHO-HZHRSRAPSA-N 402.450 5.561 5 40 HKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2420456 OOODNSCWQYGIDJ-INIZCTEOSA-N 401.514 5.156 5 40 HKBB c1ccc(Cc2ccc3c4ccccc4c4ccccc4c3c2Cc2ccccc2)cc1 68568932 SVDFLYTWVCWCHH-UHFFFAOYSA-N 408.544 8.328 5 40 HKBB biogenic CCCCN(CCCC)CCCCC[C@H](O)c1cc2ccccc2c2ccccc12 4428637 AELJODFGCAUMOT-NDEPHWFRSA-N 405.626 7.489 5 40 HKBB S=C(Nc1cccc(Br)c1)Nc1cc2ccncc2c2ncccc12 6548023 UHSGQHDDKIIZME-UHFFFAOYSA-N 409.312 5.354 5 40 HKBB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C3=O)cc1 17247936 NEOCJVVSGYFUIB-HSZRJFAPSA-N 410.433 5.043 5 40 HKBB C[n+]1c(/C=C\C=C2C=CN(CCC[N+](C)(C)C)c3ccccc32)sc2ccccc21 78272711 BBSUOMZZTCYACA-UHFFFAOYSA-N 417.622 5.253 5 40 HKBB in-vitro O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)o1 100632938 FCHOKNWZSCXLED-LFVRLGFBSA-N 419.412 5.956 5 40 HKBB Cc1ccc(-c2nc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cs2)cc1 4051096 FUFYRNAWYRBMOO-UHFFFAOYSA-N 407.417 5.700 5 40 HKBB Cc1cc2nc(-c3cc(NC(=O)c4ccccc4[N+](=O)[O-])cc(C)c3O)oc2cc1C 9547490 IJWWIQPJBBDVPI-UHFFFAOYSA-N 417.421 5.286 5 40 HKBB Cc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2nccs2)cc1 11614563 GSVHKBZSIFZMRH-FQEVSTJZSA-N 424.481 5.461 5 40 HKBB CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 17087838 LOMWUOSHDLZYQI-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728352 JPAYEOWGADJXKC-UNOMPAQXSA-N 406.419 5.091 5 40 HKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)C1 408974521 AXNJJQWINFUAPH-IVCQMTBJSA-N 415.562 6.039 5 40 HKBB COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccccc2)cc1OC 1463192 KBOVZVRGNGKAKY-IBGZPJMESA-N 402.450 5.261 5 40 HKBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2309086 YIVVAFLXEUCDAO-UHFFFAOYSA-N 411.509 5.009 5 40 HKBB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4268014 QHDQAFYBUBWLEZ-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1 4785283 DGSVEDOCSKCXRI-WIGMAHPFSA-N 411.527 5.577 5 40 HKBB Clc1ccc(SCCSc2nc3ccccc3c3nc4ccccc4n23)cc1 12546539 DBOXATFDGIUPIE-UHFFFAOYSA-N 421.978 6.574 5 40 HKBB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 17088889 IIAIZXMUCJNMGH-UHFFFAOYSA-N 411.483 5.168 5 40 HKBB CCCCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc(C)c1C 32895007 YBFONAYTYYHUPW-AWEZNQCLSA-N 401.492 5.112 5 40 HKBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Cl)cc3Cl)c2)cc1 408603195 BIJCUMALLFJAMW-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 1060328 LALYYRGZRWTMQV-UHFFFAOYSA-N 413.783 5.120 5 40 HKBB Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nc3ccccc3s2)c1C 5255647 UHDDHEIUEIYVNC-UHFFFAOYSA-N 409.492 5.802 5 40 HKBB CCc1cccc2sc(N(Cc3ccncc3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 10254244 CYCWMCFUJBVUQH-UHFFFAOYSA-N 424.507 5.070 5 40 HKBB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 16545491 ZGXPQDFAVFQSNQ-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB Cc1ccc(OCCNC(=O)Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 408717896 OZNIWWBNPGXTQR-UHFFFAOYSA-N 414.405 5.111 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)c1 2351319 LSVPAFOHVMQGHU-UHFFFAOYSA-N 413.462 5.145 5 40 HKBB COc1cccc2c1ncc1c(-c3ccc(C)cc3)nn(-c3cccc([N+](=O)[O-])c3)c12 8606996 WIFMTQPVQGNTLX-UHFFFAOYSA-N 410.433 5.466 5 40 HKBB Cc1ccc(Sc2ccc(COc3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])cc1 8781543 IYMCUNBGZOYQHJ-UHFFFAOYSA-N 419.424 6.652 5 40 HKBB O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N(C1CCCCC1)C1CCCCC1 13574291 SHLQJUBADRBOOM-UHFFFAOYSA-N 406.573 5.752 5 40 HKBB Brc1ccc2c(c1)cc(-c1nc3ccccc3[nH]1)c1nc3ccccc3n12 1511554 QBANFPTXWIKVRN-UHFFFAOYSA-N 413.278 5.947 5 40 HKBB Cc1ccc(-c2ccc(OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1 2750636 LORAIJQBGQTETJ-UHFFFAOYSA-N 412.239 5.552 5 40 HKBB CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 4663425 AHJVMUCXWPUDTK-BSDZUQITSA-N 415.493 5.823 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 408633618 KXGHSRMQZCRULF-ODLFYWEKSA-N 421.434 5.257 5 40 HKBB Cc1ccc(C2=NN3[C@H](c4ccc([N+](=O)[O-])cc4)Oc4ccc(Cl)cc4[C@H]3C2)o1 1235166 BJGQAAKCHVQAQC-NQIIRXRSSA-N 409.829 5.392 5 40 HKBB O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl 1762540 FSZVRGOYNLNXOA-UHFFFAOYSA-N 412.232 5.268 5 40 HKBB O=[N+]([O-])c1ccccc1Sc1c(-c2ccccc2)nc2sc3c(n12)CCCC3 5072042 BANVMUFQEZFSJK-UHFFFAOYSA-N 407.520 6.001 5 40 HKBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1sc2ccccc2c1Cl 17200783 NVNLRPXMJNMUSZ-UHFFFAOYSA-N 421.912 5.900 5 40 HKBB Cc1ccc(-c2ncc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)s2)c(C)c1 84142232 DWBGVKZCKWBUIZ-UHFFFAOYSA-N 415.902 5.261 5 40 HKBB O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1ccc([N+](=O)[O-])cc1 101192601 XNKWRPYXIUFOQR-UHFFFAOYSA-N 408.460 5.151 5 40 HKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc(Cl)ccc2o1 408606595 KZMZQKQHCKCVKP-UHFFFAOYSA-N 424.865 6.398 5 40 HKBB O=[N+]([O-])c1ccc(P(=O)(Nc2cccc(Cl)c2)Nc2cccc(Cl)c2)cc1 1870320 FDKPGCOEKMYCRD-UHFFFAOYSA-N 422.208 5.944 5 40 HKBB O=[N+]([O-])c1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 2087708 XOYDSWCLNNUOCQ-PMACEKPBSA-N 411.255 5.588 5 40 HKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 5445029 FIHSXHOJFIQORV-OAQYLSRUSA-N 405.841 5.240 5 40 HKBB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12527991 QAFQIEPSDODOTN-QGZVFWFLSA-N 410.473 5.121 5 40 HKBB Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1C 107981307 VHERXVVJOZCPQI-UHFFFAOYSA-N 416.506 5.752 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 408998038 HSOYYQIWZKLCTE-YUXAGFNASA-N 411.288 6.373 5 40 HKBB Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1Cl 6148343 CSLUFRGUMYJKJJ-UHFFFAOYSA-N 415.840 5.506 5 40 HKBB O=c1[nH]c(Nc2ccc(Cl)cc2)c(Sc2ccccc2[N+](=O)[O-])c2ccccc12 3226583 KOIOGCNHFHZGLN-UHFFFAOYSA-N 423.881 5.985 5 40 HKBB CCCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12 4903441 FPXPKGRYWPJFTD-XMMPIXPASA-N 420.465 5.069 5 40 HKBB CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 12995530 CWJXXCPHRYXLAJ-UHFFFAOYSA-N 407.875 5.171 5 40 HKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1CN(C)C1CCCCC1 58045552 NFMIJICCFRWOOZ-GOSISDBHSA-N 424.545 5.584 5 40 HKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C)cc1 224472598 IRQMRIPDSBZSRP-UHFFFAOYSA-N 420.465 5.442 5 40 HKBB Cc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] 827814 QUGWXZAUQVDHNP-LAUBAEHRSA-N 401.466 5.495 5 40 HKBB CC[N+](C)(CC)CCOc1ccc(N(CC[N+](C)(CC)CC)c2ccccc2)cc1 5333400 ZTJRKYIXHYBUEH-UHFFFAOYSA-N 413.650 5.176 5 40 HKBB CCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2ccccc12 3254866 CJQHXHYPCHKWPU-UHFFFAOYSA-N 423.519 5.503 5 40 HKBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1 3315785 HGUBVXMAVLDLID-UHFFFAOYSA-N 401.846 5.336 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 4474679 TZPGRADSQBYWJQ-UHFFFAOYSA-N 403.825 5.716 5 40 HKBB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14376728 FZZPYROQUZFILM-UHFFFAOYSA-N 405.435 5.132 5 40 HKBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 17093768 XSIQGYYTBBGYBZ-GORDUTHDSA-N 424.265 5.172 5 40 HKBB O=[N+]([O-])c1cc(F)cc(Br)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250470 QYGFZPMMLJSHIG-UHFFFAOYSA-N 416.071 5.586 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)o1 8442362 CTPJFEIJVDMBAN-UHFFFAOYSA-N 421.478 5.397 5 40 HKBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214400866 QMQKZRHSQQKLLO-VIZOYTHASA-N 409.250 5.138 5 40 HKBB O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409104390 YTWKTSPFVVAWEJ-BKUYFWCQSA-N 404.447 5.259 5 40 HKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 16227072 GOULDHCXVORHFS-UHFFFAOYSA-N 405.435 5.132 5 40 HKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1 20411237 JFKYLDMRLVYSQG-UHFFFAOYSA-N 401.422 5.779 5 40 HKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H]([N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@@]21C 118923600 NHECHQMMDZKMNO-RPVPIKDYSA-N 417.678 7.753 5 40 HKBB CC(=O)c1c(C)nc2sc3c(ncn4nc(C)nc34)c2c1-c1ccc(Cl)cc1 643099 ZVCAGUWLMYBBPL-UHFFFAOYSA-N 407.886 5.027 5 40 HKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1 4673129 QVFYVCAGWBSPIF-VWLOTQADSA-N 415.493 6.122 5 40 HKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1c1cccc(Cl)c1 211030923 WKRJJCSJXJOLAT-HYARGMPZSA-N 415.901 6.887 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2Cl)cc1 408606621 JETWIXQFKUTYLV-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(C)cc2)cc1 2288974 VWKCVNFLHCUUMR-UHFFFAOYSA-N 403.485 6.415 5 40 HKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)c2ccccc2c1O 4014155 SLQWWVQEQHSZQO-UHFFFAOYSA-N 421.634 5.122 5 40 HKBB CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 9829694 NBFUSMHAHCMCIS-UHFFFAOYSA-N 418.478 5.009 5 40 HKBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 24270230 KSVKMERVVYOWBB-MRVPVSSYSA-N 423.174 5.326 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc(Cl)c1 224148874 XITLBVZNSMPMJS-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB CC(C)C(=O)Nc1cccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 9252453 TWLUPGVDQAYUPJ-UHFFFAOYSA-N 417.874 5.310 5 40 HKBB Cc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)sc3ccccc3c2=O)cc1 101330901 WMXOCQNUISPMAN-UHFFFAOYSA-N 416.458 5.397 5 40 HKBB COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(C(=O)O)cc2)[nH]c1-c1ccccc1 6282489 UCBATIIDFLGOMQ-UHFFFAOYSA-N 415.405 5.026 5 40 HKBB Cc1cccc(CCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 10110631 IVOYNKZZIGEXSC-HKOYGPOVSA-N 400.478 5.193 5 40 HKBB COc1ccc(N(C)C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408974568 BMJSGBJUWKBSMC-UHFFFAOYSA-N 413.506 5.106 5 40 HKBB O=c1c2ccccc2nc(/C=C/c2cccc3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 13304828 AMEIRTSHMPUIGO-SFQUDFHCSA-N 419.440 5.618 5 40 HKBB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 32126531 QGHKUPLPSDYKMZ-UHFFFAOYSA-N 402.646 5.417 5 40 HKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 107880661 OMMXZDDOQCJPRX-MDZDMXLPSA-N 414.845 5.693 5 40 HKBB O=C(CSCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 408723762 KOLMETWMKXVCKA-UHFFFAOYSA-N 406.507 5.057 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)n1nc(Cl)c2ccc([N+](=O)[O-])cc21 1573534 NEXBWVWHYVJIHZ-UHFFFAOYSA-N 419.146 5.350 5 40 HKBB Cc1cccc2c(=O)c3c(O)cc(OCc4cccc(Br)c4)cc3oc12 5303304 HUTTUJLOBSFURQ-UHFFFAOYSA-N 411.251 5.302 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccccc3Cl)c2)cc1 8435794 DJBGNCIUJJPPRJ-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB Cc1cc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)nc(-n2cc([N+](=O)[O-])cn2)n1 10215042 SMLSGSOOOLHWCJ-UHFFFAOYSA-N 422.832 5.068 5 40 HKBB COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1 17092652 AWEGROWQNWJVKT-UHFFFAOYSA-N 421.434 5.239 5 40 HKBB Cc1ccc2oc3nc(C)c(C(=O)Nc4cccc(C(F)(F)F)c4)cc3c(=O)c2c1 1390939 UKKKEUOSAONVFI-UHFFFAOYSA-N 412.367 5.229 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17090955 BCDJOLUTSUPLKO-QPJJXVBHSA-N 417.248 6.122 5 40 HKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1 408833637 UEXRQMOFTRVQOI-UHFFFAOYSA-N 401.447 5.638 5 40 HKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(Cl)c(Cl)c1)CO2 2125480 ZSBWCTRLPUBECP-UHFFFAOYSA-N 412.272 5.918 5 40 HKBB biogenic CCN(c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1)C(C)C 12527477 AVQBSZCAKBRTOD-UHFFFAOYSA-N 413.521 5.028 5 40 HKBB Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 5571079 WGFWKRWQAKGEDR-UHFFFAOYSA-N 408.801 5.012 5 40 HKBB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 8198249 HNSRFYGDMDMJKL-HNNXBMFYSA-N 415.449 6.169 5 40 HKBB Cc1nn2c(c1-c1ccccc1)N=C(c1ccc([N+](=O)[O-])cc1)C[C@@H]2c1ccccn1 14607614 OXZSHSFVPLUQBL-JOCHJYFZSA-N 409.449 5.276 5 40 HKBB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)o1 36352204 LCOFVFSEVLSQHY-RXVVDRJESA-N 409.829 5.392 5 40 HKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1[N+](=O)[O-] 408619969 FFHLCVFOLYNNJQ-SOFGYWHQSA-N 403.221 5.814 5 40 HKBB Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1cccc([N+](=O)[O-])c1 1901887 UUXJYXWJZWMDFN-SANMLTNESA-N 414.505 6.038 5 40 HKBB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1Cl 6480348 CNJKRDNUDHIWPU-UHFFFAOYSA-N 402.646 5.417 5 40 HKBB COc1ccccc1NC(=O)c1c(C)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 7848134 SCLLAEKYYRNHJZ-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB O=C(NC1CCCCC1)OCc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4060549 OLNOBGHZEMISPV-UHFFFAOYSA-N 420.918 5.958 5 40 HKBB O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 5257995 XLLIGVYVRVMLOV-VMMLISQSSA-N 414.421 5.524 5 40 HKBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1C 17089715 GFVFAARXFHRBIB-UHFFFAOYSA-N 413.886 5.145 5 40 HKBB COc1cccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C(C)C)c1OC 79497479 BTOKFAPWFSAGIH-UHFFFAOYSA-N 419.437 5.007 5 40 HKBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c4ccccc4cc4ccccc34)N21 222652500 OMJMKZRTNLFTNS-BTZRARBUSA-N 409.558 6.367 5 40 HKBB Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2c3ccccc3cc3ccccc23)cc1 4286295 UFXLIPHMYGEGGL-XMMPIXPASA-N 419.571 5.738 5 40 HKBB COc1ccc(COCCCn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 5272217 FZVNCSGMBQWQAK-UHFFFAOYSA-N 411.505 5.662 5 40 HKBB Cn1ccnc1[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 12560424 WFSRSDXNOGYNBZ-MRXNPFEDSA-N 410.783 5.202 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Cl)c2ccccc2)cc1/C=C\c1ccccc1 13403269 FZFHORCIEZPSME-PLPGPOEOSA-N 406.825 6.410 5 40 HKBB O=[N+]([O-])c1cccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)c1 25461373 ACPCPACCJKAHCV-PGRDOPGGSA-N 403.869 5.554 5 40 HKBB O=C(c1cc2ccccc2c2cccnc12)N1CCC(c2nc3ccccc3s2)CC1 58911443 RVSYCKCPRJYSRB-UHFFFAOYSA-N 423.541 6.018 5 40 HKBB CCOc1ccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409106065 MFRVOMMMHQBWPM-UHFFFAOYSA-N 424.404 5.053 5 40 HKBB O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccc([N+](=O)[O-])cc1 4860315 FLDPZZKTMSXQBD-NTEUORMPSA-N 403.825 5.118 5 40 HKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 408557631 PVQBFRNQANBLOK-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409066167 HJHDYRUPUXJQLO-UYRXBGFRSA-N 412.467 5.010 5 40 HKBB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 4805464 WITCCQHRPBRFFP-IERDGZPVSA-N 402.454 5.579 5 40 HKBB Cc1cccc2oc3cc(NCc4ccco4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 9310956 XQCCCJMTPKMRRN-UHFFFAOYSA-N 422.440 5.454 5 40 HKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C)n1 225865887 LSVBCVFMKKAQAR-UHFFFAOYSA-N 411.502 5.318 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc3c4c(cccc14)CC3)N2 408996078 KVXIPELSYJJADM-SAAIGDAKSA-N 418.496 6.318 5 40 HKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 5445039 DDNNWOUFZMOSDO-FQEVSTJZSA-N 405.841 5.240 5 40 HKBB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 6475910 PTOLVHTWUYISOE-UHFFFAOYSA-N 407.476 5.699 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)c(Cl)c3)c2c1 8733645 HDMJUBQLAIKVHB-UHFFFAOYSA-N 414.248 5.547 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccccc2Cl)cc1)c1c[nH]c2ccccc12 408575052 VSFOIOSBQFBTNJ-OAQYLSRUSA-N 406.869 5.809 5 40 HKBB Cc1ccc(-n2c(C=Cc3ccc([N+](=O)[O-])cc3)nc3cc([N+](=O)[O-])ccc32)cc1 2049241006 FDUMEYJSHNJAPS-UHFFFAOYSA-N 400.394 5.321 5 40 HKBB c1ccc(-c2[nH]c(-c3c4ccccc4cc4ccccc34)nc2-c2cccs2)cc1 2312313 BNOYIWFBXWRCLA-UHFFFAOYSA-N 402.522 7.779 5 40 HKBB COc1ccc(-c2noc(-c3ccc(NCc4ccc(C)cc4)c([N+](=O)[O-])c3)n2)cc1 20897763 UHGDMVFZNPOMKD-UHFFFAOYSA-N 416.437 5.241 5 40 HKBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl 72229395 PFDSUBGQCYIIBJ-UHFFFAOYSA-N 414.676 5.408 5 40 HKBB CC1(C)[C@@H]2CC[C@]1(C)c1c2c(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 100715860 JYVKYQQXVKZVHR-HOYKHHGWSA-N 416.481 5.208 5 40 HKBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 260766322 JQDGKLMCTYOLJR-OREJSRFESA-N 420.494 5.229 5 40 HKBB O=C(CCCc1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 1098001 GKNYOQZPYWSMNQ-UHFFFAOYSA-N 410.282 5.473 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccc(Cl)cc3)c2c1 1389398 RCFHYKYZDFIACM-UHFFFAOYSA-N 414.248 5.547 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc(Cl)cc3Cl)c12 2402772 WPNJFABEMLTMOR-UHFFFAOYSA-N 422.315 6.432 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc3ccccc3c2)cs1 5705203 SWBOELOKQDQGLQ-DHZHZOJOSA-N 401.447 5.523 5 40 HKBB CC1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229277 QDKSTQXPKIXXEN-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]3[C@@H]3CC[C@H]2c2ccccc23)c([N+](=O)[O-])c1 104282916 YGYDTRAJEUMBJN-IWLYJEGESA-N 418.449 5.111 5 40 HKBB c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)[nH]c3ccccc35)cc2)cc1 2362804329 GYQPWVRJSBPWGN-UHFFFAOYSA-N 408.504 8.085 5 40 HKBB Cc1ccc(NC(=O)[C@H](C)Sc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1[N+](=O)[O-] 855490 LBDBHIOLNWIRHL-LBPRGKRZSA-N 416.890 5.066 5 40 HKBB CCc1ccc(C(=O)COC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 2621815 VFDCSEBSASBCNL-UHFFFAOYSA-N 421.474 5.348 5 40 HKBB O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc2ccccc2c1 12344311 TYRWCZYXWCKHKC-YBFXNURJSA-N 424.865 5.638 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 408998033 HSOYYQIWZKLCTE-BVYCBKJFSA-N 411.288 6.373 5 40 HKBB CCCCOc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3176442 QVRJNMKEDGMKCA-UHFFFAOYSA-N 417.512 5.114 5 40 HKBB CCOC(=O)c1c2c3ccccc3c3ccccc3c2cc2[n+]1CCc1ccccc1-2 4671193 DIVJVPWHSSAIPN-UHFFFAOYSA-N 404.489 5.834 5 40 HKBB CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2OCc2ccccc2)c1 12585060 KTTQIYGGOBSMCS-UHFFFAOYSA-N 422.506 5.928 5 40 HKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 409179953 QTXNRFMBFGMOGW-UHFFFAOYSA-N 418.232 6.051 5 40 HKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1[N+](=O)[O-] 3108519 JRCKGBFTWDFHPG-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB Cc1ccc(-[n+]2c3cc(N)c(C)cc3nc3cc(C)c(Nc4ccccc4)cc32)cc1 4365841 GZIROVCEVALULC-UHFFFAOYSA-O 405.525 5.916 5 40 HKBB CCSc1ccc(CC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 10252477 GTSWWFYWMHJPCR-UHFFFAOYSA-N 405.526 5.073 5 40 HKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 16227055 ZRRFMTPCADNIEE-UHFFFAOYSA-N 405.435 5.132 5 40 HKBB Cc1c(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cccc1[N+](=O)[O-] 38860186 KLBNJWOULQNSFS-UHFFFAOYSA-N 422.312 5.061 5 40 HKBB Cc1cc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc12 89600778 KGNFRRGXADCARQ-LBPRGKRZSA-N 401.875 5.224 5 40 HKBB Cc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)o1 95477366 TTZJURNQIFTSNE-UHFFFAOYSA-N 403.438 5.816 5 40 HKBB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc1OC 96115515 OYBRHSLQWMAMAW-UHFFFAOYSA-N 403.438 5.301 5 40 HKBB biogenic O=C(Nc1ccc(Br)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 408721255 FWMDRVDKYQEGTE-UHFFFAOYSA-N 417.266 5.279 5 40 HKBB Cc1cc(Nc2cc([N+](=O)[O-])ccc2C)nc(SCc2ccc(Cl)cc2)n1 4125328 MGBRAQBCPQJQIO-UHFFFAOYSA-N 400.891 5.691 5 40 HKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Br)c([N+](=O)[O-])c1 4800777 JOERSFUYDVXKAQ-UHFFFAOYSA-N 405.031 5.021 5 40 HKBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409200225 HCORYCREUPHIPL-NWGMWSOJSA-N 419.502 5.371 5 40 HKBB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)n2)cc1 671673 SZLJFFIUZZWCQN-GFCCVEGCSA-N 415.902 6.138 5 40 HKBB O=[N+]([O-])c1c(Nc2cc(Cl)ccc2Cl)cc(N2CCCCCC2)c2nonc12 8444453 QDOPHCITCGVDRM-UHFFFAOYSA-N 422.272 5.562 5 40 HKBB CC(C)c1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 9337897 AHWDEQCUXSWBCU-UHFFFAOYSA-N 404.470 5.512 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]31N2 13510992 BTGZMYYPTSGPIQ-KHVXQDHOSA-N 423.516 6.552 5 40 HKBB O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 16297433 DVVOTUXKOYRRNA-JWWGGVBKSA-N 417.509 5.448 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408861496 SCWVREPQWDCIKQ-UHFFFAOYSA-N 412.254 5.156 5 40 HKBB COc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 5034545 CRRXNRMTIMZMMT-UHFFFAOYSA-N 406.316 5.135 5 40 HKBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 8426589 VZRKBVLWEDBLTH-GMAHTHKFSA-N 419.868 5.665 5 40 HKBB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1[N+](=O)[O-] 677492 HOQIRIYUHFEJMS-UHFFFAOYSA-N 417.421 5.281 5 40 HKBB Cc1cc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc12 5658512 QHCMFJMQMGXRRW-LBPRGKRZSA-N 401.875 5.224 5 40 HKBB Clc1ccccc1-c1nnc(Cn2c3ccccc3c3nc4ccccc4nc32)o1 12776377 MJTXGNRNTUPIQX-UHFFFAOYSA-N 411.852 5.489 5 40 HKBB COc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 20183444 UQWWCYTTZPQYPE-UHFFFAOYSA-N 424.460 5.774 5 40 HKBB CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2C1 22078708 AEJAPUWZSBZQFE-CYBMUJFWSA-N 424.526 5.190 5 40 HKBB O=C(c1ccccc1[N+](=O)[O-])N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 59431879 XSQOKIHZCRMVLX-UHFFFAOYSA-N 416.380 6.057 5 40 HKBB COc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1[N+](=O)[O-] 226363470 VKFOFKKVITWSHM-UHFFFAOYSA-N 412.854 5.700 5 40 HKBB O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409183855 VRSWERBFJCKFFY-UHFFFAOYSA-N 418.232 6.051 5 40 HKBB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)o1 4852061 DZITXZPYJSRQFQ-ONEGZZNKSA-N 405.332 5.156 5 40 HKBB O=[N+]([O-])c1ccc(-c2cs/c(=N\Cc3ccccc3)n2Cc2ccccc2)cc1 16804905 NTSIICWSUCLSHE-VHXPQNKSSA-N 401.491 5.274 5 40 HKBB CC(=O)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 1097901 LIPSORNLYXOHMH-HSZRJFAPSA-N 419.868 5.867 5 40 HKBB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 4571487 XBHLRWYBHFCSFR-WLRWDXFRSA-N 409.467 5.470 5 40 HKBB O=[N+]([O-])c1ccc(-c2csc(Cc3ncc(-c4ccc(Cl)cc4)s3)n2)cc1 13027762 HYZORWBEJSWTGK-UHFFFAOYSA-N 413.911 6.086 5 40 HKBB Fc1ccc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 1906995 XBHUGMKSKXXXSG-UHFFFAOYSA-N 406.258 5.688 5 40 HKBB CCCCP(=O)(CCCC)c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1 2216980 DASVPPAHDFJAEZ-UHFFFAOYSA-N 403.415 5.403 5 40 HKBB biogenic Cc1ccc(Nc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)cc1 8817649 LLDSFCPQAVWNPM-UHFFFAOYSA-N 418.452 5.993 5 40 HKBB COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc([N+](=O)[O-])cc3C)c2c1 5552670 AIGSGQCDBBCEAL-UHFFFAOYSA-N 410.882 6.418 5 40 HKBB O=[N+]([O-])c1ccc(N2N=C(c3ccc(-c4ccccc4)cc3)C[C@H]2c2ccccc2)cc1 20530404 CDFUPPJTINWETE-MHZLTWQESA-N 419.484 6.618 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 408553520 AEWHNMIFYLZWBY-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1c(Cl)cccc1Cl)N2 408995763 NFQIUEXHDOSLEQ-QGCDCVKKSA-N 411.288 6.373 5 40 HKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] 409052798 IFMUANIDSDQAJQ-UHFFFAOYSA-N 419.437 5.777 5 40 HKBB O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 4014295 BAVSFUDKNUUVCY-UHFFFAOYSA-N 408.285 5.899 5 40 HKBB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 13628087 FQHKMPDJTUVMIF-UHFFFAOYSA-N 417.465 5.397 5 40 HKBB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118925429 PHBJORRJHSVXIA-XWLABEFZSA-N 400.671 6.233 5 40 HKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409012793 KUBOFJHKRSTMEI-BXUJETTOSA-N 412.467 5.009 5 40 HKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 10187574 LDAPAHIPTJYRSH-UHFFFAOYSA-N 424.869 5.100 5 40 HKBB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 22027523 FXKSTPWYLLKAGJ-QGZVFWFLSA-N 418.236 5.055 5 40 HKBB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 222210068 XKFDFEXROWTZSY-VIZOYTHASA-N 409.250 5.138 5 40 HKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(Cl)cc1 408570302 KWKDKEMBTMZLGA-IBGZPJMESA-N 416.934 5.463 5 40 HKBB CCCN(Cc1ccccc1)C(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408996115 KYWSNQDOTYSISR-UHFFFAOYSA-N 409.493 5.708 5 40 HKBB COc1c([N+](=O)[O-])ccc2c1O[C@@]1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C 2255553 RGZWMMDQVRREIG-RUZDIDTESA-N 414.461 5.835 5 40 HKBB CCCCC[C@@H](C[N+](C)(C)C/C=C/c1ccccc1)[C@H](O)c1ccc(CCCC)cc1 4429678 JUCVUHWBBMMCAO-ZHVDTPSLSA-N 422.677 7.049 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)cc1 6143776 HGIRUTAPRTYRHL-UHFFFAOYSA-N 419.803 5.336 5 40 HKBB CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Cl)cc1)=N2 13388715 PJPHUXPFLNDCGQ-UHFFFAOYSA-N 420.856 5.081 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 35167837 YVWHTRWFNZNRBB-UHFFFAOYSA-N 422.897 5.788 5 40 HKBB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 59463578 KJPHQAOKCJVGEA-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB COc1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc([N+](=O)[O-])cc2)(C4)C3)cc1 101441026 ZOOGGENQNHGWDJ-WADIDORASA-N 406.482 5.080 5 40 HKBB COc1ccc2oc(C(=O)Nc3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2c1 409187065 LNQXXLMUBJMKPG-UHFFFAOYSA-N 420.446 5.753 5 40 HKBB CC(C)c1cc(-c2c3ccccc3cc3ccccc23)cc(C(C)C)c1Br 1857793673 CVCXOJFURPFHHM-UHFFFAOYSA-N 417.390 8.669 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6478259 KVBWGFLNIGSISU-UHFFFAOYSA-N 412.898 6.101 5 40 HKBB O=[N+]([O-])c1ccc(Cl)c(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 96191897 QNEPFYQKQRPZLN-UHFFFAOYSA-N 421.909 6.598 5 40 HKBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222990387 IPEUWRWKDBDLBS-RTWAWAEBSA-N 422.510 5.022 5 40 HKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409337290 TUSXZTCDJYJYBO-NYVOZVTQSA-N 420.852 5.417 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc2c(c1)OCO2)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 723782 YJJJEFFYMCVNAN-GOSISDBHSA-N 420.852 5.626 5 40 HKBB CCCN(CCC)[C@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729653 KVKLIOPLLKTGRE-MWTRTKDXSA-N 414.387 6.299 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 4056160 UFYAETATUWMPOE-QYBDOPJKSA-N 402.538 5.970 5 40 HKBB Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(Cl)c2)C1 8636098 GHDKFGHHIYGTQU-UYAOXDASSA-N 422.916 5.253 5 40 HKBB biogenic,in-vitro O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1c(-c2cccc([N+](=O)[O-])c2)cc2ccccn12 26779895 QAZXFVIZKCTBBX-UHFFFAOYSA-N 421.796 5.307 5 40 HKBB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1 59489913 YJYLKPFZDKGKSK-GBXCKJPGSA-N 409.530 5.285 5 40 HKBB Cc1cccc2oc3cc(Nc4ccccc4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 100574274 QAGWVKLGZZIWSV-UHFFFAOYSA-N 418.452 5.993 5 40 HKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 118933562 KZOROHLNHZDSDQ-IWUBZGKGSA-N 415.662 7.673 5 40 HKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1cccnc1 408821609 JKCZDNMVARODGN-UHFFFAOYSA-N 402.435 5.033 5 40 HKBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409121411 ZPGPILWTJJGBTJ-QGOAFFKASA-N 408.841 5.436 5 40 HKBB Clc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)c(Cl)c1 2667995 BEMBFPFCOJMRLW-UHFFFAOYSA-N 408.288 6.124 5 40 HKBB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 9404703 XTTGHZLCRCEKRB-UHFFFAOYSA-N 415.430 5.870 5 40 HKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]1c1ccc(Cl)cc1 32796228 RJTGRXLCXOLYOD-NRFANRHFSA-N 416.908 5.172 5 40 HKBB COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C(C)C 223268647 ZVFKUGHSKNXABJ-MRXNPFEDSA-N 416.543 5.146 5 40 HKBB COC(=O)c1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408976032 OQLVLRLIHFNIHX-UHFFFAOYSA-N 413.458 5.037 5 40 HKBB COc1cccc(N(C(=O)C2CCCC2)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 8754793 TTXOINWKAZAXES-UHFFFAOYSA-N 423.494 5.582 5 40 HKBB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1413999 ILXYWTCQOTXZLJ-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 4661721 XTJXVOFBIUHOGR-UHFFFAOYSA-N 424.928 6.277 5 40 HKBB O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1Cl 5025167 XPGJZLUCFZHICD-JLHYYAGUSA-N 403.825 5.118 5 40 HKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 7093775 HDVBADLTLLYDLY-UHFFFAOYSA-N 408.479 5.046 5 40 HKBB Cc1ccccc1OCc1nc2c3sc4nc(C(F)F)cc(C)c4c3ncn2n1 13644182 CHBLEVJGJDQCOB-UHFFFAOYSA-N 411.437 5.021 5 40 HKBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 44088026 KSHVXEPHLROLAC-UHFFFAOYSA-N 409.389 5.458 5 40 HKBB Cc1noc(/C=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 408542155 HOQGOGBAORRBKH-KRXBUXKQSA-N 417.830 5.774 5 40 HKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409021239 ZJJJRPWJVROIIY-BXUJETTOSA-N 412.467 5.009 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 2087705 XOYDSWCLNNUOCQ-VQTJNVASSA-N 411.255 5.588 5 40 HKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cc(C)cc(C)c1 224199084 ZVVOKVDDZLGMAJ-UHFFFAOYSA-N 420.465 5.360 5 40 HKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc([N+](=O)[O-])cc1 408620007 GKOAPHKGPLHMDG-SOFGYWHQSA-N 403.221 5.814 5 40 HKBB O=C(OCc1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1ccc([N+](=O)[O-])cc1 2534548 YNOXUIYJWQZKJF-UHFFFAOYSA-N 416.455 5.285 5 40 HKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccccc1C(F)(F)F 9097069 KMUZIDIDQHTPPI-UHFFFAOYSA-N 423.390 5.807 5 40 HKBB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])sc2cc1C 9708069 UEUGTMJPRMHJBB-UHFFFAOYSA-N 418.478 5.063 5 40 HKBB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372856 RTTYNVNVNQOYSO-UHFFFAOYSA-N 413.905 5.299 5 40 HKBB CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)c1C 39143931 KHXPQSBSFOAMSH-UHFFFAOYSA-N 420.252 5.239 5 40 HKBB in-vitro Cc1c(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4Cl)nn23)oc2ccccc12 96194163 IMVYLEYHGQGALX-UHFFFAOYSA-N 411.830 5.136 5 40 HKBB CC(=O)c1ccc(Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c([N+](=O)[O-])c1 225209200 NGFARUAFVRONQN-UHFFFAOYSA-N 403.463 6.126 5 40 HKBB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 3314195 MFMUBAXFRICEDK-JOCHJYFZSA-N 418.449 5.057 5 40 HKBB O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1-c1ccc2ccccc2c1 8432333 YJSQPHRZLQJCAM-PEZBUJJGSA-N 419.440 5.618 5 40 HKBB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 8984344 GDOUNBXYHUJTIR-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408622657 QIIPMWDYLCMYAK-UHFFFAOYSA-N 401.422 5.347 5 40 HKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccn1 408830944 ZCEYCKQFHFVQAZ-UHFFFAOYSA-N 402.435 5.033 5 40 HKBB Cc1ccc(C)c(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)c1 2194577 AZQARKMACIWCKO-UHFFFAOYSA-N 412.445 5.784 5 40 HKBB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 4063053 FWIZQCCFOMEBAO-UHFFFAOYSA-N 410.842 5.172 5 40 HKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1OC 3205176 UXANYJQFQFBTRR-OAQYLSRUSA-N 402.450 5.032 5 40 HKBB aggregator Cc1cc(Nc2ncnc(Nc3ccc(C(C)C)c(C)c3)c2[N+](=O)[O-])ccc1C(C)C 4054437 MQWRILODXJTLQK-UHFFFAOYSA-N 419.529 6.736 5 40 HKBB COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(F)cc3)c12 4970011 MYKJUUOXELOEBZ-UHFFFAOYSA-N 414.396 5.297 5 40 HKBB O=c1c(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c2c1cc(Cl)c1ccccc12 12961226 DHCVUVRLUHQXIL-UHFFFAOYSA-N 409.194 6.069 5 40 HKBB COc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 13388721 LFHLOLGISMDEOH-UHFFFAOYSA-N 422.444 5.191 5 40 HKBB CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5[N+](=O)[O-])nc4c23)C1 2798279 BMOQTNVUOWFHJX-CYBMUJFWSA-N 421.526 5.455 5 40 HKBB O=[N+]([O-])c1ccc(F)cc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 8178362 WBGRIXCGBZABEW-UHFFFAOYSA-N 408.414 5.082 5 40 HKBB Cc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)ccc1[N+](=O)[O-] 11897569 CVYZELQGWAZPFL-QGZVFWFLSA-N 414.465 5.075 5 40 HKBB COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(OC)cc2)cc1 13511031 APPZIXXELIPISY-UHFFFAOYSA-N 419.484 6.116 5 40 HKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 16347871 SHSJVIOPKBEZSM-UHFFFAOYSA-N 403.463 5.741 5 40 HKBB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 17091020 GANABFQLBCCOOW-UHFFFAOYSA-N 417.421 5.281 5 40 HKBB O=C(OCc1cccc([N+](=O)[O-])c1)C(c1ccccc1)(c1ccccc1)c1ccccc1 409173007 KGIAOMLAKHTMGG-UHFFFAOYSA-N 423.468 5.673 5 40 HKBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 13070429 IDRHZWNOWIKQAZ-UHFFFAOYSA-N 422.510 5.351 5 40 HKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1F 408565899 DDKNOXHYBUGXHX-HXUWFJFHSA-N 420.440 5.303 5 40 HKBB Cc1ccc(C)c2c1c1nc3ccccc3nc1n2CCOc1ccc(Cl)cc1 5322889 MCQHZXXFFKNKSL-UHFFFAOYSA-N 401.897 6.087 5 40 HKBB O=[N+]([O-])c1cc(Br)c(F)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250428 LFTVMSPVEMLCHC-UHFFFAOYSA-N 416.071 5.586 5 40 HKBB CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1OC 2226306 RFEIWHMQKOIPCS-UHFFFAOYSA-N 413.477 5.202 5 40 HKBB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10903141 JGHRCACGHZAFDX-UHFFFAOYSA-N 407.904 5.014 5 40 HKBB c1ccc(-c2cc(-c3ccc4ccccc4n3)nc3cc4[nH]c5ccccc5c4cc23)cc1 13617649 INENWWSJXLSQKP-UHFFFAOYSA-N 421.503 7.752 5 40 HKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl 16346689 FBITYAOILHTNLD-RMKNXTFCSA-N 417.248 6.122 5 40 HKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-] 72229275 RKRWHIYLMASBTB-GFCCVEGCSA-N 408.285 5.533 5 40 HKBB O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408620359 MAKCYOYJDIJJQD-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 409094354 DHDOSTRECGONDO-UHFFFAOYSA-N 414.796 5.214 5 40 HKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3C)nc2c1 1413939 DKAFCSUOPFKGOR-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB CCCCOc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1 1774787 FOCLXDLXWUCQEZ-UHFFFAOYSA-N 414.465 6.128 5 40 HKBB Cc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OCCC(C)C 2197678 JFGFOYYSOIBPLG-UHFFFAOYSA-N 409.533 6.519 5 40 HKBB Cc1cccc2c(=O)c3c(O)cc(OCC(=O)c4ccc5ccccc5c4)cc3oc12 5246062 CNFKYTKVMIRUBD-UHFFFAOYSA-N 410.425 5.375 5 40 HKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 6449745 BOMLNQNRCUFDIT-HNNXBMFYSA-N 415.449 6.169 5 40 HKBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1OC 408998316 ISXHNJVIKZMHBM-IGKWTDBASA-N 402.450 5.083 5 40 HKBB CN1C/C(=C/c2ccccc2)C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)[C@H]2C1 51330417 NHEVDTXSNBOERE-LRHFILFSSA-N 424.504 5.157 5 40 HKBB O=C(c1ccc([N+](=O)[O-])o1)n1cnc2c(-c3ccccc3)c(-c3ccccc3)ccc21 80341342 TUHKAEHPLLTTNL-UHFFFAOYSA-N 409.401 5.560 5 40 HKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1Cl 408623284 SHYPAHYGIJPEPT-QHHAFSJGSA-N 405.159 5.572 5 40 HKBB Cc1cccc2c1ccc1c3occ(C)c3c3nc(-c4ccc(O)c(Cl)c4)[nH]c3c21 1547206335 JEIBKAVQFIOVQO-UHFFFAOYSA-N 412.876 7.258 5 40 HKBB biogenic O=C(COC(=O)c1c2ccccc2cc2ccccc12)c1ccc(OC(F)F)cc1 2617024 RCHYHGUPHVMLAR-UHFFFAOYSA-N 406.384 5.634 5 40 HKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccc(Cl)cc1Cl 3220034 KYBTUVGIXRHSSG-UHFFFAOYSA-N 424.283 6.095 5 40 HKBB CC(C)Oc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 79188904 SUCXQBWCUXVOOI-UHFFFAOYSA-N 417.465 5.365 5 40 HKBB biogenic Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl 409121244 UCFQQNPEFCYBID-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB CC[N+](CC)(CCOC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1 670422175 PIMOAYBPNAWUAH-UHFFFAOYSA-N 402.558 5.419 5 40 HKBB O=c1c2cccc3c(-c4ncc(-c5ccccc5)o4)ccc(c32)c2nc3ccccc3n12 842177 WVKQDAHQZZTTRC-UHFFFAOYSA-N 413.436 5.914 5 40 HKBB O=C(O)c1cc(-c2cc3c(cc2Br)OCO3)nc2ccc3ccccc3c12 1004275 LUBHWYHMTJLXHH-UHFFFAOYSA-N 422.234 5.244 5 40 HKBB CCOC(=O)c1c(NC(=O)c2c3ccccc3cc3ccccc23)sc(C)c1C 2060386 XRJYSSMWMTXCQL-UHFFFAOYSA-N 403.503 6.100 5 40 HKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2400459 IDHLAWRRYABBFW-INIZCTEOSA-N 411.509 5.180 5 40 HKBB CSc1nnc2c(n1)O[C@@H](c1c3ccccc3cc3ccccc13)Nc1ccccc1-2 3211870 RWNDAJYRLLXWAO-QHCPKHFHSA-N 422.513 6.070 5 40 HKBB C[C@@H](OC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2ccccc2s1 4174112 VTLNASAGAXVLAB-CYBMUJFWSA-N 401.443 5.474 5 40 HKBB aggregator Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)o1 5071793 LCOFVFSEVLSQHY-GHTZIAJQSA-N 409.829 5.392 5 40 HKBB CCCc1cc(=O)oc2cc(Oc3c([N+](=O)[O-])cc(C(F)F)cc3[N+](=O)[O-])ccc12 11692229 TYAZHLGRAUQYDS-UHFFFAOYSA-N 420.324 5.292 5 40 HKBB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 2315131 NURIZEJPSRAPDY-UHFFFAOYSA-N 405.410 5.680 5 40 HKBB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc([N+](=O)[O-])cc1 9354662 ONBPZTUFWAGROK-UHFFFAOYSA-N 417.446 5.763 5 40 HKBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 13946062 FVLSEQVNBGZLJU-UHFFFAOYSA-N 419.462 5.441 5 40 HKBB CCCCOc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 409183085 RDEHLLVNSUBXBG-UHFFFAOYSA-N 421.449 5.923 5 40 HKBB O=c1[nH]c2c(sc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c2ccccc12 2059250 URJPQCNRRLTTSK-UHFFFAOYSA-N 404.494 6.625 5 40 HKBB CCC(=O)Oc1cn(C2CCCCCC2)c2nc(CC)n3c4ccccc4nc3c12 13210997 SUSVDZOXIPYUMR-UHFFFAOYSA-N 404.514 5.610 5 40 HKBB O=C(c1cccc([N+](=O)[O-])c1)n1cnc2ccc(-c3ccccc3)c(-c3ccccc3)c21 17091811 QKXPRVCVEXRWRH-UHFFFAOYSA-N 419.440 5.967 5 40 HKBB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 205679450 VQXWKYIESZNUPC-ONDHQXCVSA-N 412.467 5.009 5 40 HKBB Cc1ccc(C[N+](C)(C)C[C@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 226070787 ZMSVFFGEWWTBIK-QHCPKHFHSA-N 412.638 5.606 5 40 HKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1ccccc1[N+](=O)[O-] 408971377 NKQDRDHARJYENG-GHXNOFRVSA-N 419.245 5.461 5 40 HKBB CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 409064357 GVHWFLHZRJILIL-LHHJGKSTSA-N 413.238 5.218 5 40 HKBB O=[N+]([O-])c1c(-c2cn(-c3ccccc3F)nc2C(F)(F)F)ccc2ccccc12 1401029 TVDDCPBMWXJRCF-UHFFFAOYSA-N 401.319 5.759 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4748773 NWGJSXLKDBUYLC-RUDMXATFSA-N 402.494 5.715 5 40 HKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 20140528 QVIVIESHTCWDSE-UHFFFAOYSA-N 418.405 5.168 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(Cl)cc2)cc1)c1c[nH]c2ccccc12 408569882 KCXDJWNYLYMSGM-JOCHJYFZSA-N 406.869 5.809 5 40 HKBB Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccc(C)c2)cc1 1893004 NLEBTCUBLHSKLN-UHFFFAOYSA-N 416.506 5.752 5 40 HKBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 2446081 XVSFZSPKIVYSCV-UHFFFAOYSA-N 424.507 5.205 5 40 HKBB CC(=O)OCCn1c2ccccc2nc2cc3c(cc21)c(Cl)c(=O)c1ccccc13 5390002 AQPZOKVNQWBQSP-UHFFFAOYSA-N 416.864 5.073 5 40 HKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 12811460 RVMFJNMEKOOFHU-XAVKZTDYSA-N 413.886 5.235 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 408613176 XUKSQPGNGBGBGP-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(Cl)cc1 409197658 LMZSQUSAHDDVNX-UZYVYHOESA-N 422.293 5.018 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccccc2-c2csc(Nc3ccccc3)n2)cc1 409369533 CMXHEZHAXZCMLB-UHFFFAOYSA-N 403.463 6.041 5 40 HKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cc(Cl)ccc1Cl 3253707 SKOBRNBCKORORB-UHFFFAOYSA-N 414.295 5.242 5 40 HKBB Cc1ccc(C(=O)Nc2oc3cc4ccccc4cc3c(=O)c2-c2ccccc2)cc1 5030933 IBFZFLJFFDYPIL-UHFFFAOYSA-N 405.453 6.174 5 40 HKBB O=c1c2ccccc2sc2nc(-c3cccc([N+](=O)[O-])c3)n3c4ccccc4nc3c12 9002150 FYYIZFVHKKSKAR-UHFFFAOYSA-N 424.441 5.186 5 40 HKBB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12731630 DAIQKOVGXWDNLW-UHFFFAOYSA-N 410.817 5.145 5 40 HKBB Cc1c(C2=CCCCC2)c2ccccn2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3208250 ALYCVBXZECOTPX-UHFFFAOYSA-N 405.410 5.253 5 40 HKBB O=C(Cn1cc(SCc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCCCCC1 4272474 VAPXKJVDDZUSNO-UHFFFAOYSA-N 423.538 5.244 5 40 HKBB CCCCCCOCC[N+](C)(CCOCCCCCC)CCOCCCCCC 5257041 JIXYOBAUYUMAEU-UHFFFAOYSA-N 416.711 6.224 5 40 HKBB COc1ccc(C(=O)OCC[C@H](Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 5688310 JDUPKIXNGPYELC-NRFANRHFSA-N 420.465 5.312 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1sccc1OCc1c(Cl)cccc1Cl 8855277 CQWAIELFRQDFBZ-UHFFFAOYSA-N 423.277 5.794 5 40 HKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(-c2ccccc2)cc1Cl 4771211 UFZQUNRTBLSYGL-UHFFFAOYSA-N 403.221 6.180 5 40 HKBB CCCCSc1nnc2c3sc4nc(CCC)c5c(c4c3ncn12)CCCC5 2246128 WTXGSNWNFPGZNZ-UHFFFAOYSA-N 411.600 5.611 5 40 HKBB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2Br)c(Cl)c1 3159157 CCOAJNIEJMEYBI-UHFFFAOYSA-N 407.445 5.566 5 40 HKBB CCn1c2ccccc2c2c3nc4ccc5c(c6ccccc6n5CC)c4nc3ccc21 4115755 BMJREEQNMLDGDQ-UHFFFAOYSA-N 414.512 7.039 5 40 HKBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222981878 FGPVVICMQTUPNB-SFTDATJTSA-N 422.510 5.022 5 40 HKBB CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+]2(C)CCCCCC2)cc1 226069477 UNDYYSFEUMDOIX-QHCPKHFHSA-N 420.658 5.177 5 40 HKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1cccc(F)c1 408566177 DXVSBYAQLIYCRC-OAQYLSRUSA-N 420.440 5.303 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 408995765 NFQIUEXHDOSLEQ-XUEUYAKLSA-N 411.288 6.373 5 40 HKBB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 6597820 YGIJGCCOCPUVQF-UHFFFAOYSA-N 416.412 5.147 5 40 HKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2s1 12811465 RVMFJNMEKOOFHU-DZZUKKPASA-N 413.886 5.235 5 40 HKBB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409119379 SJDUVBBNTMUCFZ-WQRHYEAKSA-N 406.825 5.320 5 40 HKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CC1CCCCC1 409144764 GLTLHYYDYAAJDY-XDHOZWIPSA-N 412.467 5.471 5 40 HKBB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c([N+](=O)[O-])c1 4906090 QLIFMLGSOPHITI-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB Cc1nn2c(c1-c1ccccc1)N=C(c1cccc([N+](=O)[O-])c1)C[C@@H]2c1ccncc1 14607584 ZLEYACAJVKKWLU-JOCHJYFZSA-N 409.449 5.276 5 40 HKBB COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8112626 CTXCNGOOJBQXQJ-UHFFFAOYSA-N 406.419 5.099 5 40 HKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@H]5C[C@@H]5c5ccccc5)nc34)c12 13644139 PTLWPSVZSWKICP-OLZOCXBDSA-N 407.449 5.404 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(F)c(F)c1)O2 13757378 CVPXFFKFKSORAW-UNMCSNQZSA-N 407.376 5.115 5 40 HKBB C[N+]1(Cc2cc(C[N+]3(C)CCCCC3)cc(C[N+]3(C)CCCCC3)c2)CCCCC1 585152240 FOLYCEUCFIBCLR-UHFFFAOYSA-N 414.702 5.078 5 40 HKBB Cc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)cc1 1262704 MRFVVPFOUUSZNW-UHFFFAOYSA-N 419.436 6.566 5 40 HKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 5174288 IUCBHIPVSFBHPB-UHFFFAOYSA-N 417.465 5.397 5 40 HKBB COc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OC 15565755 IKBLIFUBTNKICC-ZZXKWVIFSA-N 421.272 5.155 5 40 HKBB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 408573980 GPWLVNHXBVAPQB-UHFFFAOYSA-N 419.717 5.218 5 40 HKBB O=[N+]([O-])c1cc(Br)c(Oc2c(F)cc(C(F)(F)F)cc2F)cc1F 1504250439 MOPVEOUTVNUYKG-UHFFFAOYSA-N 416.071 5.586 5 40 HKBB O=c1c2ccccc2sc2nc(C3CCCCC3)n(Cc3ccccc3)c(=O)c12 2205230 UMWYFDJUGPXVOG-UHFFFAOYSA-N 402.519 5.067 5 40 HKBB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 6177527 HUIHOZOTCUVPAF-YWZLYKJASA-N 421.884 5.840 5 40 HKBB Cc1noc(C[C@@H](CC(=O)c2ccc(F)cc2)c2ccccc2Cl)c1[N+](=O)[O-] 19872743 MJKRWKVOGJBWPN-CQSZACIVSA-N 402.809 5.283 5 40 HKBB C[C@H](CCc1ccccc1)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408576340 SPMUXHHLIKHLNW-CBTVAOKPSA-N 400.478 5.273 5 40 HKBB O=C1/C(=C\c2ccc(Cl)cc2)S[C@@H]2SC=C(c3ccc([N+](=O)[O-])cc3)N12 1637156 CQJDQSFWJMGKQB-WBNHJWIASA-N 402.884 5.194 5 40 HKBB CC1(C)C[C@](C)(c2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 1830846 XIWKMFXEMLHGJB-RUZDIDTESA-N 400.478 5.730 5 40 HKBB Brc1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1 9239111 MEUDZCGHVLNFCY-UHFFFAOYSA-N 410.314 7.485 5 40 HKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2sccc2[C@H]1c1cccs1 12986068 FWKFBLTVVBWILS-KRWDZBQOSA-N 404.900 5.159 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1882187 RVAHKZJSZJEFAJ-FMIVXFBMSA-N 406.825 5.131 5 40 HKBB CCc1cc2c(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ncnc2s1 7083887 FBUGYOMTGOIZHL-JTQLQIEISA-N 413.484 5.065 5 40 HKBB O=C(Nc1ccccc1Oc1ccccc1)c1cc2c(ccc3ccccc32)oc1=O 12062411 YLWRANXVVMLYRV-UHFFFAOYSA-N 407.425 5.991 5 40 HKBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 1414000 INLDQLUDPSLTTL-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB O=C(Sc1ccc2ccccc2c1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 1688842 VXAYBPOEKHAIMI-UHFFFAOYSA-N 406.507 5.666 5 40 HKBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(CC34CC5CC(CC(C5)C3)C4)nc12 13643469 OTBYMWVNHPSVFI-UHFFFAOYSA-N 403.555 5.263 5 40 HKBB Cc1ccc(NCC[C@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12 5486927 BENIBYVETVNODM-WIYYLYMNSA-N 406.595 5.790 5 40 HKBB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 5851694 QKNLBIOIEUXMSM-UHFFFAOYSA-N 418.877 5.291 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)o1 408812623 NGJCBUWKTZICMA-UHFFFAOYSA-N 424.433 5.065 5 40 HKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409015750 SBUDIHVXKNQILD-JSJZUPIVSA-N 406.847 5.343 5 40 HKBB CCOc1ccc(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 58111546 ZGJANWJREVPRSS-CYBMUJFWSA-N 422.403 5.378 5 40 HKBB COc1ccc2[nH]cc(CC[N+](c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 2193669 DVWMOIBVGSMYJB-UHFFFAOYSA-N 419.548 7.390 5 40 HKBB O=C(Oc1cc(-c2ccc([N+](=O)[O-])cc2)c2oc(=S)sc2c1)c1ccccc1 4548183 MEZFLDYLHXALMF-UHFFFAOYSA-N 409.444 6.018 5 40 HKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 20140616 OBYIFSFPWKZEHJ-UHFFFAOYSA-N 418.405 5.168 5 40 HKBB Cc1ccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCC(C)CC2)c(C(C)(C)C)c1 226071562 WXRKYOBLACDANY-MKNZIIIOSA-N 410.622 5.479 5 40 HKBB Cc1c(C(c2ccc([N+](=O)[O-])o2)c2c(C)n(C)c3ccccc23)c2ccccc2n1C 6369983 RROSEOCZIKEMDN-UHFFFAOYSA-N 413.477 5.968 5 40 HKBB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[N+](=O)[O-] 9434690 YMZOVRUZZBWXAX-UZUQRXQVSA-N 401.466 5.183 5 40 HKBB O=C(Nc1ccccc1Br)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 14877586 AQRAKYFKGWNQJH-UHFFFAOYSA-N 421.634 5.523 5 40 HKBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2301095 KTMGQXYQFYGVFL-UHFFFAOYSA-N 417.900 5.127 5 40 HKBB CCNc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 3846903 MFHNOOSLQRVHRZ-UHFFFAOYSA-O 415.513 5.147 5 40 HKBB O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4321113 NLYAREAPHOTWOV-UHFFFAOYSA-N 409.511 5.296 5 40 HKBB Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 1507802 QQYKFZSRJNJNRV-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB CCCCC1CCC(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 4610480 RVPWFEDOOQMGFQ-UHFFFAOYSA-N 405.498 6.776 5 40 HKBB CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)O[C@H]1c1ccccc1 4914528 SANJJBBEHLTVFG-ZLNRFVROSA-N 418.449 5.008 5 40 HKBB COc1ccc(Oc2ccc(NC(=O)c3coc4ccc([N+](=O)[O-])cc34)cc2)cc1 4743532 ZPNPEFGQYZKVAK-UHFFFAOYSA-N 404.378 5.394 5 40 HKBB O=[N+]([O-])c1cccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 5446892 XTCXVRQOLWMUGN-UHFFFAOYSA-N 404.362 6.312 5 40 HKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 8319872 LKSSURRHHSLKNB-JXMROGBWSA-N 412.829 5.477 5 40 HKBB O=C(Nc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1[N+](=O)[O-] 9599928 OIUWEFKKKRZSEP-UHFFFAOYSA-N 422.491 5.144 5 40 HKBB O=[N+]([O-])c1ccc(N2N=C(c3ccc(-c4ccccc4)cc3)C[C@@H]2c2ccccc2)cc1 20530402 CDFUPPJTINWETE-HHHXNRCGSA-N 419.484 6.618 5 40 HKBB O=[N+]([O-])c1ccc(S[C@@H]2CSc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 36625082 DQXXGBIMTPVJJO-NHCUHLMSSA-N 419.531 5.801 5 40 HKBB CCCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC 408607360 LGZJSLUEPVRLQZ-UHFFFAOYSA-N 409.280 5.157 5 40 HKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 5445026 FIHSXHOJFIQORV-NRFANRHFSA-N 405.841 5.240 5 40 HKBB Cc1sc2nc(-c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)nc(O)c2c1C 408993823 WZZCJSYURNABIE-UHFFFAOYSA-N 410.480 5.135 5 40 HKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1865196 JKZBHQWFDKTYTR-UHFFFAOYSA-N 418.836 5.820 5 40 HKBB COc1c([N+](=O)[O-])ccc2c1O[C@]1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C 2255552 RGZWMMDQVRREIG-VWLOTQADSA-N 414.461 5.835 5 40 HKBB CCc1ccc(-c2cc(C(=O)OCc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 6419340 PZBLZRWCRNNWMP-UHFFFAOYSA-N 412.445 5.729 5 40 HKBB Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2n1-c1ccccc1 7594929 JFPFWXPYTVHGOX-UHFFFAOYSA-N 406.829 5.148 5 40 HKBB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1sc2c([N+](=O)[O-])cccc2c1Cl 13946216 NQVPCORRZAKTIW-UHFFFAOYSA-N 420.877 6.286 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)cc1Cl 1053154 KAGYFLHYHBXSOL-JXMROGBWSA-N 403.221 5.814 5 40 HKBB C[C@@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 4499387 INIGPBWCFLSIBH-CQSZACIVSA-N 404.308 5.521 5 40 HKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCc1ccccc1 12616984 RPKZRLMKPTXAHR-UHFFFAOYSA-N 424.478 5.071 5 40 HKBB CCCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538460 KKSYMESURQTXDJ-UHFFFAOYSA-N 424.541 6.231 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2C[C@H](c3ccccc3)O[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 230107172 YJASYVLTQWVUMA-FSSWDIPSSA-N 406.394 5.421 5 40 HKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C 408556352 JUDKQULQIZFBDL-UHFFFAOYSA-N 409.280 5.155 5 40 HKBB S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)Nc1cccc2ccccc12 38206438 VVQKBEMKAVJFEY-UHFFFAOYSA-N 419.513 6.226 5 40 HKBB CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 59483692 GGXNSXABSPUJBP-HSZRJFAPSA-N 401.466 5.709 5 40 HKBB COc1ccc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1 79475399 LNKAXULAMSRVMT-UHFFFAOYSA-N 403.438 5.307 5 40 HKBB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 408629082 LTIFVIHWMVJOKL-MRXNPFEDSA-N 405.454 5.486 5 40 HKBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6641015 POKBVBQSHMPONW-GORDUTHDSA-N 401.633 5.216 5 40 HKBB Cc1cc(C)c2c(n1)sc1c(-c3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc12 12446576 WROSHIIIXBEEBZ-UHFFFAOYSA-N 412.474 6.099 5 40 HKBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 101331400 FBRUVQUEQRLSEW-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB COc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c3ccccc3n2)cc1 137918492 UMDPDVNSICEZFR-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl 225538870 GAVTZXRJNBUHRQ-UHFFFAOYSA-N 402.878 5.488 5 40 HKBB COc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409248388 GBHVGTXFLOOBGY-UHFFFAOYSA-N 423.406 5.581 5 40 HKBB Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 1786807 IWCDNOLJWKADDV-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(OC(F)F)cc1)c1c(-c2ccccc2)cc2ccccn12 3205735 HCIOOBDLVHAPRE-OAQYLSRUSA-N 408.404 5.616 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c1 8824417 XJJHGBBGXIZGDN-UHFFFAOYSA-N 420.469 5.333 5 40 HKBB Cc1ccc(C)c(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2cccc3ccccc23)c1 33367128 DUVNAQQVNWFZQC-UQQQWYQISA-N 422.484 6.544 5 40 HKBB COc1ccc(Nc2[nH]c(=O)c3ccccc3c2Sc2ccc([N+](=O)[O-])cc2)cc1 34897690 HSWMWAUDGCSUMF-UHFFFAOYSA-N 419.462 5.340 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 109486828 BOFFDQSHZUEKOT-UHFFFAOYSA-N 422.440 5.745 5 40 HKBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222990650 XMMOTNYVXPEIAM-RTWAWAEBSA-N 422.510 5.022 5 40 HKBB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(Cl)ccc1[N+](=O)[O-] 12764082 HCLSFXKKEHHSKA-UHFFFAOYSA-N 413.842 5.048 5 40 HKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 21580506 YCGIRUJOIUGPNS-UHFFFAOYSA-N 422.828 5.052 5 40 HKBB Cn1c(=O)c2ccccc2n2c(Sc3ccccc3[N+](=O)[O-])c3ccccc3c12 3211957 JEBCCAIUGCEWDV-UHFFFAOYSA-N 401.447 5.004 5 40 HKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc3ccccc23)cc1 408564836 ANJZKCMELICVPM-NRFANRHFSA-N 404.495 5.147 5 40 HKBB CCCCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1807762 HKKMISWGVONRBT-UHFFFAOYSA-N 404.850 5.238 5 40 HKBB CCc1c(Sc2ccc([N+](=O)[O-])cc2)c(=O)oc2ccc(Br)cc12 3261005 CHNHKDLQUYCNAN-UHFFFAOYSA-N 406.257 5.177 5 40 HKBB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 17953199 DVVOTUXKOYRRNA-BTYSMDAFSA-N 417.509 5.448 5 40 HKBB Fc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 100813968 SQSOWGTXPBRVIE-SGEDCAFJSA-N 405.432 6.501 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100273190 UFYAETATUWMPOE-HFJWLAOPSA-N 402.538 5.970 5 40 HKBB CN1C/C(=C/c2ccccc2)C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)[C@@H]2C1 105972915 NHEVDTXSNBOERE-LDYMQWDOSA-N 424.504 5.157 5 40 HKBB Cn1ccnc1[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 12560422 WFSRSDXNOGYNBZ-INIZCTEOSA-N 410.783 5.202 5 40 HKBB Cc1ccc(C(C)C)c(OCc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)c1 32117678 QMNUDLVEAFTVIR-UHFFFAOYSA-N 417.538 5.515 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1 224367691 SZPKSKLATMNUSZ-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409017923 GLGPGJIHVGLITA-VCBXAZPMSA-N 406.847 5.343 5 40 HKBB Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)oc2c1ccc1ccccc12 95350262 RKNMEWWFNBTDRN-UHFFFAOYSA-N 412.348 5.656 5 40 HKBB CC(=O)Nc1ccc(/C=C\c2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(C)cc2)cc1 3845365 DXZMBXRCLHCBHG-AUWJEWJLSA-N 412.449 5.371 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 17091221 AYACTFSVXIQGOE-UHFFFAOYSA-N 417.676 5.498 5 40 HKBB Cc1cc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)ccc1[N+](=O)[O-] 17093515 CVODSGKSUGFYIW-UHFFFAOYSA-N 423.428 6.117 5 40 HKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 225860199 UWHMIMBPVBTVSA-UHFFFAOYSA-N 419.481 5.382 5 40 HKBB CCc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1 6225530 GQWGLQGWDCZANA-UHFFFAOYSA-N 417.494 5.092 5 40 HKBB CCN(CC)c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1[N+](=O)[O-] 72229389 ISORPVXZXSASSP-UHFFFAOYSA-N 416.692 5.654 5 40 HKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccc(F)cc1 212466414 XMGCQSSIPHXNTB-OEAKJJBVSA-N 413.473 6.369 5 40 HKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(C)cc1 408560487 CWFWVONIYYKHGN-FCQUAONHSA-N 409.511 5.147 5 40 HKBB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409112433 GMDLVMWKGMQTHG-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB CCCCCC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 16637834 HNGOCMOYRFQTEU-UHFFFAOYSA-N 412.638 6.217 5 40 HKBB CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 44088205 WULGHRMUTHNLAY-UHFFFAOYSA-N 405.426 5.549 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc(Oc3ccc(-c4ccccc4)cc3)c3ccccc3n2)c1 1888394 PJAMOOKFDBBXPW-UHFFFAOYSA-N 419.440 6.664 5 40 HKBB CCCCCCc1cc2c(cc1OCc1ccccc1OC)oc(=O)c1ccccc12 4043560 AERZNJXXXSSFFJ-UHFFFAOYSA-N 416.517 6.657 5 40 HKBB biogenic Cc1c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cccc1[N+](=O)[O-] 38860183 JKCGTYKDNADXDL-UHFFFAOYSA-N 422.312 5.061 5 40 HKBB O=C(Nc1oc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 101317228 AWEHHHDXDDYKEO-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(F)cc1 408829872 NILGUOFKKWCJBH-UHFFFAOYSA-N 419.437 5.777 5 40 HKBB Cc1cc2oc(=O)cc(COC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2cc1C(C)C 3279077 JKCCZBSJINOEQP-UHFFFAOYSA-N 415.829 5.143 5 40 HKBB Cc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccco2)c1 5500617 SIWRTCAQLLQAHS-UHFFFAOYSA-N 406.467 5.095 5 40 HKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc(C)c1OC(C)C 225538415 MYYKYMWHXLKOAO-UHFFFAOYSA-N 410.514 5.839 5 40 HKBB CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(OCC)cc1 408822633 CLPVVZRNWDXEDL-UHFFFAOYSA-N 411.483 5.322 5 40 HKBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)NC1CCCCC1 408975029 ISGHZDCKNFKFMZ-UHFFFAOYSA-N 422.492 5.334 5 40 HKBB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] 409053857 RCCWNFYHIFUEPC-UHFFFAOYSA-N 407.476 5.699 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCOc3cccc4ccccc34)c12 2432400 PWMIJZLPGLKULY-UHFFFAOYSA-N 403.485 6.278 5 40 HKBB CC1=Nc2ccccc2N=C(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 9282026 YWVICULRUUJUKB-KROBSHITSA-N 424.460 5.344 5 40 HKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccncc1 408824797 HTEDSVHUXGDLRX-UHFFFAOYSA-N 402.435 5.033 5 40 HKBB CCCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O 409358879 MLVZTABAXXGMSP-PDGQHHTCSA-N 414.508 5.501 5 40 HKBB Cc1nc(Nc2cccc3ccccc23)nc(Nc2cccc3ccccc23)c1[N+](=O)[O-] 6177617 QVGDONVSTHCWEY-UHFFFAOYSA-N 421.460 6.487 5 40 HKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258395 GVJIVXKHVWQWPL-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 59428164 HYPQEWNVAGVBMU-VGSWGCGISA-N 401.466 5.116 5 40 HKBB O=[N+]([O-])c1c(-c2cn(-c3ccc(F)cc3)nc2C(F)(F)F)ccc2ccccc12 1401031 GTUKVGLACIUDKJ-UHFFFAOYSA-N 401.319 5.759 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(OC)c(OC)c1 953641 CUEHJKKSOCXWBO-UHFFFAOYSA-N 402.450 5.326 5 40 HKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)cc1C 2249555 YHRYDGLDTLMACJ-UHFFFAOYSA-N 423.520 5.324 5 40 HKBB Cc1ccccc1N[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)cccc21 3013203 RPGCCIKJJHQPRZ-MBSDFSHPSA-N 415.493 5.804 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 8781738 VVSWISTXUBJXQS-UHFFFAOYSA-N 422.790 5.832 5 40 HKBB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)sc2cc1C 9708067 RTJAWENHXKSUBI-UHFFFAOYSA-N 424.507 5.125 5 40 HKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1 10372600 PFJJDMXUMGNTGO-UHFFFAOYSA-N 410.860 7.284 5 40 HKBB C[C@H]1CSc2n1c(-c1ccc([N+](=O)[O-])cc1)c[n+]2-c1cccc(C(F)(F)F)c1 27788680 BKGQUJMYYPOBPE-LBPRGKRZSA-N 406.409 5.026 5 40 HKBB CCC(=O)Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 57314105 WQBVCOWKEOUHDE-UHFFFAOYSA-N 403.847 5.064 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2 408993941 DUNHFIUEBQNUEX-YXZYRLPVSA-N 420.512 7.198 5 40 HKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 408604068 DELORWQUGOCPDY-UHFFFAOYSA-N 416.836 5.587 5 40 HKBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2304629 PPTQGKMAOIKDEK-UHFFFAOYSA-N 411.509 5.036 5 40 HKBB Clc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1 3037258 RRXMDQKSJFHBOE-BXVZCJGGSA-N 421.887 7.015 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccccc2Cl)o1 7466826 NSCXPDRCUJDKEE-UHFFFAOYSA-N 401.753 5.468 5 40 HKBB O=C1/C(=C/c2ccc(Cl)cc2)S[C@H]2SC=C(c3ccc([N+](=O)[O-])cc3)N12 17223162 CQJDQSFWJMGKQB-YZIPPPLESA-N 402.884 5.194 5 40 HKBB Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 19894513 RGBLDCTZAZCUFI-UHFFFAOYSA-N 421.503 6.008 5 40 HKBB CCOc1cc2nc3c4ccccc4n(Cc4ccc(C)cc4)c3nc2cc1OCC 2184203 LISVMCQKRVQFQY-UHFFFAOYSA-N 411.505 5.892 5 40 HKBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3c4ccccc4cc4ccccc34)N21 260774980 OMJMKZRTNLFTNS-WVQWTBLQSA-N 409.558 6.367 5 40 HKBB O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409096131 JINUAZRVXIKNGP-BKUYFWCQSA-N 404.447 5.259 5 40 HKBB Cc1cccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409116848 MBOQDGKSJIXDFP-UHFFFAOYSA-N 402.372 6.326 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c1 2309766 YVHBNZCOBSQLJW-UHFFFAOYSA-N 410.260 6.626 5 40 HKBB O=C(Nc1ccc2[nH]c3c(-c4ccccc4)nccc3c2c1)c1ccccc1[N+](=O)[O-] 12952985 RFGISXPJCQEKJY-UHFFFAOYSA-N 408.417 5.544 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc(Nc3ccc(Cl)cc3Cl)c3ccccc3n2)c1 17147806 NHEDFLIILLAOSO-UHFFFAOYSA-N 411.248 6.255 5 40 HKBB Cc1c(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cccc1[N+](=O)[O-] 32714700 QAULURYYBJCKJA-UHFFFAOYSA-N 406.254 5.043 5 40 HKBB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 118933563 KZOROHLNHZDSDQ-CIBFMJKZSA-N 415.662 7.673 5 40 HKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccccc3Cl)nc21 2203813 QODBBVQNTAATHK-UHFFFAOYSA-N 419.912 5.074 5 40 HKBB Cc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 4970236 SFNZJVGLJGBVEP-UHFFFAOYSA-N 408.461 6.074 5 40 HKBB CCC(=O)Oc1cn(Cc2ccc(C)cc2)c2nc(CC)n3c4ccccc4nc3c12 5236110 ZRDAEKVXSZKYGR-UHFFFAOYSA-N 412.493 5.072 5 40 HKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nn4c(-c5ccccc5)nnc4s3)o2)c(Cl)c1 8763565 GHMOAXXJBHNPDN-UHFFFAOYSA-N 423.841 5.341 5 40 HKBB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1C 17088928 BGPITOZCANBNIV-UHFFFAOYSA-N 411.505 6.407 5 40 HKBB S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2cc3ccccc3nc2c1 409190651 UNXGJEHXXONGJA-UHFFFAOYSA-N 414.534 5.034 5 40 HKBB CCCCC(=O)Oc1cn(CCC)c2nc(CCCC)n3c4ccccc4nc3c12 5236128 KEBOCFOVZMLIPM-UHFFFAOYSA-N 406.530 5.685 5 40 HKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 8902950 MARXWJXOESKLLF-UHFFFAOYSA-N 401.422 5.779 5 40 HKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Cl)cc2Cl)cs1 13616069 YQQUGWZTPUZGMG-UHFFFAOYSA-N 424.308 7.044 5 40 HKBB CC(C)CNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)F)cc(C3CC3)c21 36612877 BYMWRGBOMFFEIH-UHFFFAOYSA-N 420.510 5.630 5 40 HKBB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 408629081 LTIFVIHWMVJOKL-INIZCTEOSA-N 405.454 5.486 5 40 HKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)cc1 408774872 XXDNQFCUNIAYLY-GTWFGUSFSA-N 410.542 6.155 5 40 HKBB Cc1ccc(-c2sc(NC(=O)c3cccnc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408832025 PQXHBQCYOFHITR-UHFFFAOYSA-N 416.462 5.341 5 40 HKBB Cc1cc(C)cc(-c2c(I)ccc3ccc4ccccc4c23)c1 2077494 IPTWVTGUSSHMKQ-UHFFFAOYSA-N 408.282 6.881 5 40 HKBB COc1ccc([C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])cc1OC 4963843 XXJKJSIFJWRZMJ-QMWXCIFZSA-N 415.489 5.570 5 40 HKBB CC(C)C(=O)Oc1cn(Cc2ccco2)c2nc(C(C)C)n3c4ccccc4nc3c12 13237826 MJCBBMAOQRZRMD-UHFFFAOYSA-N 416.481 5.163 5 40 HKBB COc1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 21579196 VIBNNFUOXUHPHH-UHFFFAOYSA-N 423.812 5.317 5 40 HKBB O=C(NCc1cccc2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408618838 HCVQUXITHZTJOU-UHFFFAOYSA-N 406.825 5.591 5 40 HKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2 409000249 XZZDYJCOAVHWNN-LSYBOFPQSA-N 419.524 6.988 5 40 HKBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3c2ccc2ccccc32)cc1 4954636 FDIBYLMFBWCJTJ-UHFFFAOYSA-N 410.408 5.321 5 40 HKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)cc1 2442044 JOOXQZXLHANQAT-UHFFFAOYSA-N 423.520 5.351 5 40 HKBB CCc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 2959619 MHVDCCAKYWUDTA-UHFFFAOYSA-N 412.518 5.329 5 40 HKBB O=C(CCCSc1ccccc1)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 10217823 YLXDKTFJNHVPHD-UHFFFAOYSA-N 405.526 5.291 5 40 HKBB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 21124070 DJMQALXKXLCSPF-WYMLVPIESA-N 420.421 5.072 5 40 HKBB COc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1-c1noc(-c2cccc(Cl)c2)n1 66089149 BGSSOEBHVJZKHM-UHFFFAOYSA-N 421.840 5.565 5 40 HKBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409200228 HCORYCREUPHIPL-PCXKXAPESA-N 419.502 5.371 5 40 HKBB Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 846841 FEXMDGWXBJQXTD-UHFFFAOYSA-N 416.462 5.220 5 40 HKBB O=[N+]([O-])c1ccccc1Oc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 13098040 QTHHMWASLNUZQZ-UHFFFAOYSA-N 423.881 6.201 5 40 HKBB CCCC(=O)Oc1cn(Cc2ccco2)c2nc(CCC)n3c4ccccc4nc3c12 13237830 QASSVQUZQYZTIT-UHFFFAOYSA-N 416.481 5.137 5 40 HKBB Cc1ccc(-c2c([N+](=O)[O-])c(Cc3ccccc3)nc3sc4c(c23)CCC4)cc1 12699593 IAEUCUVNELRJAF-UHFFFAOYSA-N 400.503 6.259 5 40 HKBB Cc1nc(Nc2ccc3ccccc3c2)c([N+](=O)[O-])c(Nc2ccc3ccccc3c2)n1 16363247 XTPKPFKVNISQTL-UHFFFAOYSA-N 421.460 6.487 5 40 HKBB Cc1c(O)ccc2c1oc1c(CC(C)C)c3c(O)nn(C4CCCCCCC4)c3nc12 79494622 QLQYJUPKDYBVOI-UHFFFAOYSA-N 421.541 6.534 5 40 HKBB Cc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1C 2766422 VPQYXLNIPDIPTJ-UHFFFAOYSA-N 412.445 5.784 5 40 HKBB C[C@H](NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl)C12CC3CC(CC(C3)C1)C2 8072142 QMZNJELNGZFASO-OWFXSXJRSA-N 418.946 5.798 5 40 HKBB Cc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c1[N+](=O)[O-] 11322942 HLGIOQNSFXTTPZ-UHFFFAOYSA-N 412.392 5.348 5 40 HKBB O=C1CC[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)N1c1ccccc1 65090568 WDSBIHQEZMHHQZ-GMAHTHKFSA-N 404.491 5.624 5 40 HKBB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215011093 RRHJNKVQJYRAGT-BXUJETTOSA-N 412.467 5.009 5 40 HKBB CN(C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 408973908 CMRQCHBNOZVXOE-UHFFFAOYSA-N 415.456 5.156 5 40 HKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1OC 945471 CIRDTDNYDILTSP-IBGZPJMESA-N 402.450 5.261 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)cc1 2313229 XPISNDIMXKTIBI-UHFFFAOYSA-N 401.813 5.197 5 40 HKBB Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)sc2nc(-c3ccccc3)cn12 16740409 JHQUYEPZPAWXJA-UHFFFAOYSA-N 412.858 5.185 5 40 HKBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 34849471 BARXZKKEDZRRHM-QBFSEMIESA-N 416.433 5.802 5 40 HKBB CC(C)c1ccc([C@@H](CC(=O)C(C)(C)C)[C@H](C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1859442 PYWQQDWIIBUAEF-IFMALSPDSA-N 411.498 5.676 5 40 HKBB CSc1nc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2s1 4079240 WWNOYMKMNDBNBL-UHFFFAOYSA-N 401.494 5.393 5 40 HKBB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cn3ccc([N+](=O)[O-])n3)n2)cc1C 2733401 OLYCVOFNSHQNPC-UHFFFAOYSA-N 401.470 5.061 5 40 HKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(Cl)cc4c32)c1 4969912 BVFCJULRUAQXNZ-UHFFFAOYSA-N 400.825 5.802 5 40 HKBB O=c1c(Cl)c2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3oc-2c(Cl)c1=O 9193785 LJKPVNUMBFTEAL-UHFFFAOYSA-N 420.846 5.771 5 40 HKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)nc12 10010625 UAASVUOKXJNBAG-CSKARUKUSA-N 421.434 5.125 5 40 HKBB CCN(c1ccccc1)c1c(Br)cc([N+](=O)[O-])cc1Br 226316955 XWKOFDUYIFLWQC-UHFFFAOYSA-N 400.070 5.278 5 40 HKBB O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 408554903 GDPVSSYWYGFCBG-UHFFFAOYSA-N 402.425 6.078 5 40 HKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408612147 UNKZWIGXDVUHOL-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2284821 REKTYELJQJZHDZ-UHFFFAOYSA-N 411.509 5.172 5 40 HKBB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O2)cc1 4471786 JDGLTCQXHRJOIO-RGEXLXHISA-N 416.433 5.497 5 40 HKBB COc1ccccc1Oc1coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O 9304189 DKICNSFBKRLZBQ-UHFFFAOYSA-N 419.389 5.081 5 40 HKBB biogenic O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 409053058 JRHMHFJQDJSZDT-UHFFFAOYSA-N 419.437 5.777 5 40 HKBB COc1cccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)c1 21579207 ZUDRZNYTYPCBFT-UHFFFAOYSA-N 423.812 5.317 5 40 HKBB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33729656 MIVUXAIMSMBFHK-UHFFFAOYSA-N 409.467 5.105 5 40 HKBB Cc1nc2cc(Cl)ccc2cc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 40070184 HIIQNRUPFRYPNB-UHFFFAOYSA-N 404.253 5.030 5 40 HKBB Cn1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cn1 79464755 XFIXAVZSYHFLTM-UHFFFAOYSA-N 417.469 5.038 5 40 HKBB Cc1ccc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c2=O)c3c45)cc1N 95471039 WHHBWDFKTRLDIY-UHFFFAOYSA-N 408.482 5.200 5 40 HKBB COc1ccc(-c2nc3c([nH]2)c2c4cccc(C)c4ccc2c2occ(C)c32)cc1O 1547206383 RZCHZOJXORSPSU-UHFFFAOYSA-N 408.457 6.614 5 40 HKBB biogenic Clc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 2184202 RSJZSBHKVGBYTO-UHFFFAOYSA-N 422.713 6.202 5 40 HKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)cnc32)cc1 2317982 FQFFWXJQHWMRQT-UHFFFAOYSA-N 409.493 5.097 5 40 HKBB CCCCCOc1ccccc1Cn1c2nc3ccccc3nc2c2cccc(C)c21 2379331 XXNOTAHVYFFVCX-UHFFFAOYSA-N 409.533 6.663 5 40 HKBB CN(C)c1oc(Sc2ccccc2[N+](=O)[O-])cc1Sc1ccccc1[N+](=O)[O-] 3196170 STSGXUDKDVRQBW-UHFFFAOYSA-N 417.468 5.464 5 40 HKBB Cc1ccc(-c2nc3oc4ccc(Cl)cc4c(=O)c3c3nc4ccccc4n23)cc1 5020243 KVWPNPYLRYRSQB-UHFFFAOYSA-N 411.848 5.771 5 40 HKBB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 5478747 QFPPWACZMOUQTR-UHFFFAOYSA-N 407.426 5.236 5 40 HKBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 10120059 SMVDXJQETVOEJQ-UHFFFAOYSA-N 407.813 5.233 5 40 HKBB Cc1cc2nc(/C=C/c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)sc2cc1C 15979332 LKHSYCAAKIJYEE-ONNFQVAWSA-N 420.465 6.923 5 40 HKBB O=C(CCc1ccc(Cl)cc1Cl)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 72295989 YKGAZGHHVYMHQW-SFHVURJKSA-N 411.310 5.108 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl 1069956 GKRFHXWNYNRNGG-UHFFFAOYSA-N 413.783 5.120 5 40 HKBB COc1ccc2sc3c(C)ccc(NC[C@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1 5553144 PCVVRUHQPLIQBB-DYESRHJHSA-N 422.594 5.408 5 40 HKBB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6313466 WAPXARSQNCDLSV-UHFFFAOYSA-N 411.502 5.144 5 40 HKBB C[C@@H](Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(Cl)cc1 9425902 DZQLSBMHMCNIOO-CQSZACIVSA-N 424.840 5.151 5 40 HKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccccc1 224330822 HRNUJDUJNWMBQN-UHFFFAOYSA-N 408.479 5.456 5 40 HKBB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1ccc([N+](=O)[O-])cc1 3100237 OHRSSPZGILMUNQ-UHFFFAOYSA-N 421.478 5.040 5 40 HKBB CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(C(=O)Nc2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 3166444 SNDGZFPXIAECEC-KOSHJBKYSA-N 416.481 5.208 5 40 HKBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccc(Cl)cc1)n1c3ccccc3nc21 5322482 LMIYKJNXZFRVEF-UHFFFAOYSA-N 410.864 5.208 5 40 HKBB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-] 6205963 TWCGWESEYQYERJ-JXMROGBWSA-N 412.829 5.477 5 40 HKBB C[C@@H]1CSc2n1c(-c1ccc([N+](=O)[O-])cc1)c[n+]2-c1cccc(C(F)(F)F)c1 27788677 BKGQUJMYYPOBPE-GFCCVEGCSA-N 406.409 5.026 5 40 HKBB Cc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2nccs2)cc1 11614564 GSVHKBZSIFZMRH-HXUWFJFHSA-N 424.481 5.461 5 40 HKBB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 6449753 JBMWWSDKOCABGS-HNNXBMFYSA-N 415.449 6.169 5 40 HKBB O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc([N+](=O)[O-])cc1 13304383 KBIJNBPJLRDAMS-UHFFFAOYSA-N 421.450 5.209 5 40 HKBB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408603084 APQHBGNWYZUEDG-UHFFFAOYSA-N 416.836 5.587 5 40 HKBB O=[N+]([O-])c1cc(Br)cc2nc(Cl)c3cc(Br)ccc3c12 1722492 UYGXXGGSEYRYKU-UHFFFAOYSA-N 416.456 5.475 5 40 HKBB Cc1ccccc1-c1nc2sc3ccccc3c(=O)c2c(=O)n1-c1ccc(F)cc1 2342078 BEHUPAZBFWHICN-UHFFFAOYSA-N 414.461 5.075 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(OCc3cccs3)cc2)c(Cl)c1 7523962 IIXGDBSDZMIDEC-UHFFFAOYSA-N 417.918 5.090 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(Cc3ccccc3OCCC(C)C)c12 2395066 QQVDEHVXDBLBNW-UHFFFAOYSA-N 409.533 6.519 5 40 HKBB CCCCc1nc2c(C)c(NC(=O)C(C)(C)C)cnc2n1Cc1cccc([N+](=O)[O-])c1 4848158 JKJKZYJGFUYXPI-UHFFFAOYSA-N 423.517 5.023 5 40 HKBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ccc(-c2ccccc2F)o1 12818977 KQYUIWXNJMRKRY-UHFFFAOYSA-N 416.836 5.239 5 40 HKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)c1 17089519 MTFIESHZGORXOP-RMKNXTFCSA-N 413.433 5.672 5 40 HKBB CC1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])CC1 21595989 VHQMZOGZTJZURW-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB CCN(CC)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1[N+](=O)[O-] 72229134 SZSZHAYUGMMFCT-UHFFFAOYSA-N 403.910 5.644 5 40 HKBB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CCO[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C2 100731251 VZERPTZRZSESNZ-RMALVALJSA-N 406.675 5.526 5 40 HKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408611532 SXAHHPQBTHXAPN-UHFFFAOYSA-N 423.425 5.093 5 40 HKBB O=C(O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 408994798 JGBMMXFLEOMNQC-GZUABGNOSA-N 419.524 6.988 5 40 HKBB N=C(Nc1cc2ccccc2c2ccccc12)Nc1cc2ccccc2c2ccccc12 1577014 XPJHABOTGFNGEN-UHFFFAOYSA-N 411.508 7.758 5 40 HKBB COc1ccccc1-c1noc(-c2ccc(NCc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 20897721 QTOWOIAXMCAMPD-UHFFFAOYSA-N 416.437 5.241 5 40 HKBB Nc1c(-c2ccccc2[N+](=O)[O-])sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 6474262 LZBZKQHIGDTZMJ-UHFFFAOYSA-N 415.396 6.140 5 40 HKBB CCN1C(=O)c2cccc3c(NC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)ccc1c23 9367857 YDKKJFXEPIRNFO-UHFFFAOYSA-N 417.446 5.195 5 40 HKBB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 10187529 YUBZFUCMJYJZRU-UHFFFAOYSA-N 423.450 5.043 5 40 HKBB Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-] 17090950 HXMRYRAAIXYHPT-JXMROGBWSA-N 417.248 6.122 5 40 HKBB Cc1cc2nc3s/c(=C\c4c5ccccc5cc5ccccc45)c(=O)n3c2cc1C 409393073 OXALZNLCOOPSLW-OYKKKHCWSA-N 406.510 5.380 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(C=C(Cl)c2ccccc2)cc1C=Cc1ccccc1 2049239183 FZFHORCIEZPSME-UHFFFAOYSA-N 406.825 6.410 5 40 HKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 12777435 JHXKJCYSSQQWLA-AWEZNQCLSA-N 413.861 5.055 5 40 HKBB CCn1c(=O)c2oc3ccccc3c2n2c(C(=O)c3ccc(C)cc3)c3ccccc3c12 16756699 YRISCHKOHORREK-UHFFFAOYSA-N 420.468 5.713 5 40 HKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc3ccccc23)cc1C 408569162 JAHKTYFINXUZGF-JOCHJYFZSA-N 418.522 5.456 5 40 HKBB Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 409110873 ZGKZCXZTNRQVKH-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc2c(Cl)cccc12 17092085 RPFBMTGQAQXRDJ-UHFFFAOYSA-N 420.277 5.182 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 33720105 FRBLZJMWAYXHRI-UHFFFAOYSA-N 422.897 5.788 5 40 HKBB Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3n2)cc1 35682595 UTTKZBDMHOBMBN-UHFFFAOYSA-N 404.451 5.014 5 40 HKBB O=C(Nc1cc(Cl)ccc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 57316091 FQGXDVCIRFMXLS-UHFFFAOYSA-N 401.658 6.022 5 40 HKBB COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1 408571144 NUGYKCKCQVAJLN-OAQYLSRUSA-N 420.440 5.303 5 40 HKBB O=C(NC12CC3CC(CC(C3)C1)C2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408576467 VORKFDOWJXGLIT-YDZHTSKRSA-N 402.494 5.220 5 40 HKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 408611592 UENGSAHXVPRNLK-UHFFFAOYSA-N 416.836 5.587 5 40 HKBB O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1cccc2ccccc12 8432328 GWAHSQLLXGAAIB-VKAVYKQESA-N 419.440 5.618 5 40 HKBB NC(=O)c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 16492272 VNQWUZVUCCSCSZ-UHFFFAOYSA-N 417.446 5.167 5 40 HKBB O=C(Nc1nc2c(Cl)cccc2s1)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595667 SPHPZFNJXAYCDG-UHFFFAOYSA-N 424.290 5.978 5 40 HKBB O=[N+]([O-])c1cccc([C@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)c1 25461379 ACPCPACCJKAHCV-XMSQKQJNSA-N 403.869 5.554 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)c1 408556573 JOUXBJPEYQEMSS-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F 408577359 ZZJCGCPQYXMZGZ-UHFFFAOYSA-N 404.797 5.139 5 40 HKBB O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 1598595 MDCDCWFPECAWDY-UHFFFAOYSA-N 415.443 6.081 5 40 HKBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1Cc1cccs1 2652999 NAENCTRKGNXGDH-UHFFFAOYSA-N 404.875 5.038 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COCc1ccccc1 224752785 XTRJZMDTEQITCU-UHFFFAOYSA-N 420.465 5.271 5 40 HKBB Cc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccco1 6509549 FQJTWXPQNZGKLG-UHFFFAOYSA-N 406.467 5.095 5 40 HKBB O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1 212032053 FUXWSHKEAIWSFH-XDHOZWIPSA-N 406.419 5.091 5 40 HKBB CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(C)cc1 408561937 LVJPUKBSBLSVOI-FCQUAONHSA-N 409.511 5.147 5 40 HKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@H](O)c1ccccc1)C1CCCCC1 6575716 IDNFGMLJNAZHHA-FQEVSTJZSA-N 417.893 5.148 5 40 HKBB O=C(O[C@H](c1ccc(Cl)cc1)[C@@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 984521 FINLGLKBPUVPPK-WOJBJXKFSA-N 423.808 5.058 5 40 HKBB NC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2n1Cc1ccc([N+](=O)[O-])cc1 1400958 ZUVQMPMKZURSLZ-UHFFFAOYSA-N 405.841 5.017 5 40 HKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1 4785282 DGSVEDOCSKCXRI-VIJUXZSRSA-N 411.527 5.577 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@@H](c3c4ccccc4cc4ccccc34)C(O)=C1N2 104240081 JABAQGCUEJXHIF-QHCPKHFHSA-N 409.401 5.898 5 40 HKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2CCCC2)cc1 7383142 GSSKIFUGOXODKK-UHFFFAOYSA-N 419.506 5.599 5 40 HKBB Cc1cc(C)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 8393400 MPCPNUZQXDUIPH-ZDUSSCGKSA-N 401.894 5.354 5 40 HKBB CCCCn1cnc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O 1718147 XJTKLLOOZSVVIL-UHFFFAOYSA-N 406.489 5.474 5 40 HKBB Cc1ccc(Sc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])cc1 13137353 FWPUVVBZGQCSHC-UHFFFAOYSA-N 408.435 5.035 5 40 HKBB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 21576302 VNNPCINYFIKPCD-UHFFFAOYSA-N 409.417 5.237 5 40 HKBB CC(C)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 44088207 KRGKDOJVJOVKDS-UHFFFAOYSA-N 419.453 5.797 5 40 HKBB CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229141 UFVKEFBCTNMFAE-UHFFFAOYSA-N 415.921 5.788 5 40 HKBB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 108252617 HFSBSVURXDACDS-AWEZNQCLSA-N 423.494 5.495 5 40 HKBB O=C(OC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409178141 IZSWWLDZDDTUJY-UHFFFAOYSA-N 412.785 5.103 5 40 HKBB COc1ccc(CSc2nc3ccc(C(F)(F)F)cc3s2)cc1[N+](=O)[O-] 5918392 JFZCKDNIQPDLSH-UHFFFAOYSA-N 400.403 5.524 5 40 HKBB CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)O)c-2cc1C 12405229 ZTKQHJHANLVEBM-SLMZUGIISA-N 414.505 5.872 5 40 HKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1Cl 17092807 WBSMBBDIOYSFKD-UHFFFAOYSA-N 421.639 5.328 5 40 HKBB COc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(-c5ccccc5)ccc4o3)nc12 57352688 PQVIPBBNKVLDFT-UHFFFAOYSA-N 418.434 5.765 5 40 HKBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)c(Cl)c1 647596 GBSVDQWNHAHAIZ-LJQANCHMSA-N 414.248 5.673 5 40 HKBB CC[N+](CC)(CCC[C@H](C)[N+]1(Cc2ccccc2)C(C)=CC=C1C)Cc1ccccc1 1655462 LXKOAZZWSGIJPQ-VWLOTQADSA-N 418.669 7.050 5 40 HKBB CC(C)Cc1ccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)cc1 2207354 QRUAMXGTFAAGGM-UHFFFAOYSA-N 406.463 5.690 5 40 HKBB Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 4714257 HGEKIYSVWKWYIV-JPYJTQIMSA-N 415.493 5.804 5 40 HKBB CCCCN(CCCC)CCCCC[C@@H](O)c1cc2ccccc2c2ccccc12 5973404 AELJODFGCAUMOT-MUUNZHRXSA-N 405.626 7.489 5 40 HKBB CCN1CCN(c2ccc3nc4c5ccccc5c(-c5ccc(C)cc5)nn4c3c2)CC1 16681645 HEJSUVPUNOYZRB-UHFFFAOYSA-N 421.548 5.153 5 40 HKBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1Sc1ccc([N+](=O)[O-])cc1 6592005 AKTHNNVSZOKEOA-UHFFFAOYSA-N 410.407 5.011 5 40 HKBB C[C@@H]1C/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 33498801 ZFGYZNGPTNRHMP-XTCQQWIJSA-N 408.841 5.618 5 40 HKBB Cc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409113692 FWODQFKATDBANJ-UHFFFAOYSA-N 402.372 6.326 5 40 HKBB Cc1ccc(C[N+](C)(C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 226070774 ZMSVFFGEWWTBIK-HSZRJFAPSA-N 412.638 5.606 5 40 HKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 408560239 XTHJJARXEFEJTI-UHFFFAOYSA-N 416.836 5.587 5 40 HKBB CC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)C1 1774833 GOEOGIUQQGWDHE-UUOWRZLLSA-N 402.498 5.610 5 40 HKBB Cc1cc(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)ccc1[N+](=O)[O-] 8128725 NSWDZRFZDLGJNS-UHFFFAOYSA-N 404.451 5.183 5 40 HKBB Cc1cc(C)cc(-c2nnc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 13120736 RQWFYZKNJCSDTL-ZDUSSCGKSA-N 423.454 5.165 5 40 HKBB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CCO[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 100731238 VZERPTZRZSESNZ-AQSJNCQHSA-N 406.675 5.526 5 40 HKBB CCc1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc23)cc1 16162072 QVSDEJUQNVWEBI-UHFFFAOYSA-N 406.533 6.255 5 40 HKBB Cc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 16291654 QMVVHDMUHUFVTI-SGEDCAFJSA-N 418.521 7.404 5 40 HKBB CCOc1ccc(NC(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 38305873 CJCWYDWVBZLSFE-UHFFFAOYSA-N 413.506 5.472 5 40 HKBB Cc1ccc(C)c(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 409115682 SUQFNLFBZBSDKB-UHFFFAOYSA-N 416.399 6.635 5 40 HKBB Cc1nc(Nc2cccc(C(F)(F)F)c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5276886 LSJOVUIZWBDIRU-UHFFFAOYSA-N 403.364 5.224 5 40 HKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 6527408 RQWFDTBPIRCXMO-UHFFFAOYSA-N 410.407 5.011 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1cccc(OC)c1)n1c3ccccc3nc21 9327957 UXIMHQDHIZXPQO-UHFFFAOYSA-N 420.472 5.046 5 40 HKBB CN1CCC2(CC1)C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O2 32679044 RSLBDBNEKOMOOK-KRWDZBQOSA-N 421.419 5.014 5 40 HKBB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 107671361 JCOITDCNUZIDAA-UHFFFAOYSA-N 412.515 5.201 5 40 HKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc3ccccc23)c1 408574562 VFEQCPCEBDWVHS-NRFANRHFSA-N 404.495 5.147 5 40 HKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc3ccccc23)n1-c1ccc(Cl)cc1 408575048 VRXUXJITELWYCP-HXUWFJFHSA-N 424.913 5.492 5 40 HKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2sc3nc4ccccc4nc3c2c1 408977893 YUGPYHAEZYFNNV-UHFFFAOYSA-N 400.419 5.158 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 3288481 UTFUMOWQVAAINC-UHFFFAOYSA-N 409.945 5.684 5 40 HKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 851387 KNPYDCNIIXEHGU-UHFFFAOYSA-N 415.232 5.385 5 40 HKBB CC(C)(C)[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccncc1)N1CCCCCC1 5496428 KWDLYFFKYXFGEC-MUUNZHRXSA-N 400.463 5.738 5 40 HKBB O=[N+]([O-])c1cc2nc(-c3ccccc3)nc(O)c2cc1/C(Cl)=C\c1ccccc1 8655990 RXDOLZCKFNLTOY-WOJGMQOQSA-N 403.825 5.648 5 40 HKBB Cc1c(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 10542811 YCSQSDYBUMGXDP-UHFFFAOYSA-N 412.898 6.101 5 40 HKBB O=[N+]([O-])c1cc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Br)cc1F 1504250450 NYYOXFHTUDVVGV-UHFFFAOYSA-N 416.071 5.586 5 40 HKBB COc1ccc(Cn2c3ccc(Cl)cc3c3nc4ccccc4nc32)cc1OC 1079774 LOOWZJAEXWBFMH-UHFFFAOYSA-N 403.869 5.457 5 40 HKBB Cc1cc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])ccc1Cl 1902263 XZKYBSXSXIIFFM-UHFFFAOYSA-N 407.813 6.066 5 40 HKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)oc2cc1C 21578626 DTCXRVHAMNIZNX-UHFFFAOYSA-N 415.449 5.889 5 40 HKBB CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 409179534 RWOYSNQQPCGEQE-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB Cc1ccccc1N[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)cccc21 3013201 RPGCCIKJJHQPRZ-WZONZLPQSA-N 415.493 5.804 5 40 HKBB Cc1ccc(NC(=O)[C@@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 6865157 KJFSXUAENFYSSL-QPPBQGQZSA-N 415.493 5.250 5 40 HKBB aggregator COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc12 10010562 DXEVELSOSPACIX-UHFFFAOYSA-N 405.435 5.132 5 40 HKBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2cc1C 10120370 JQABASDMEYVJTN-UHFFFAOYSA-N 415.449 5.258 5 40 HKBB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 408629209 PZXWCTMZXRXJJO-INIZCTEOSA-N 405.454 5.486 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 408996677 MJHXTNCALPXFBZ-HSQYWUDLSA-N 411.288 6.373 5 40 HKBB CCCCn1c(-c2ccc(Cl)cc2Cl)nc2oc3ccccc3c(=O)c2c1=O 2327436 KPJMFRVODQWFCS-UHFFFAOYSA-N 415.276 5.277 5 40 HKBB CCOc1c(Cl)cc(Cl)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl 16688096 QWAJXEVSFRPQFR-UHFFFAOYSA-N 418.708 5.155 5 40 HKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C)cc1 224128955 YQMDQYZIUTZIBR-UHFFFAOYSA-N 406.438 5.052 5 40 HKBB c1ccc(C[N+]2(C[C@@H]3COC4(CCCCCCCCCCC4)O3)CCCCC2)cc1 4185083 GNTHWLUPYZWPBT-AREMUKBSSA-N 414.654 6.604 5 40 HKBB Cc1noc(C[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1[N+](=O)[O-] 19872770 CQKFWAZPMFOOGH-IBGZPJMESA-N 406.482 5.788 5 40 HKBB CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 2741756 VTILTHBQWJOEIA-LJQANCHMSA-N 423.498 5.232 5 40 HKBB CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(C)cc1C 4957138 KFYCHPRVTJRLEV-UHFFFAOYSA-N 406.463 5.671 5 40 HKBB CC1CCN(c2cc(Nc3cccc(Cl)c3Cl)c([N+](=O)[O-])c3nonc23)CC1 9428426 QOVGUDGPRASTHZ-UHFFFAOYSA-N 422.272 5.418 5 40 HKBB CSc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] 12974232 RSAFFGCLKAHLFO-UHFFFAOYSA-N 404.538 5.282 5 40 HKBB Cc1c(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cccc1[N+](=O)[O-] 13946130 BPZDODIQOBCRHG-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 408583115 RRQHVSCZDCLNRA-UHFFFAOYSA-N 409.254 5.041 5 40 HKBB COc1cc2nc3ccc(NC(=S)Nc4ccc(C)c(C)c4)cc3nc2cc1OC 408995031 KVQWFYMNTZMQFT-UHFFFAOYSA-N 418.522 5.226 5 40 HKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 214591384 XTEHEBWENSXVNC-UDWIEESQSA-N 420.446 5.400 5 40 HKBB CCCc1cc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccn1 8040490 VUKSRFCYWICJPL-UHFFFAOYSA-N 401.491 6.400 5 40 HKBB CCCC(=O)Oc1cn(CCC(C)C)c2nc(CCC)n3c4ccccc4nc3c12 8625018 UUAHWNAGHIPMEC-UHFFFAOYSA-N 406.530 5.541 5 40 HKBB CC(=O)N(c1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 27027845 XYBNTWJDRSHFDT-UHFFFAOYSA-N 418.272 5.165 5 40 HKBB O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H]1c1nc2ccccc2s1 69447586 MUWJFDDCZDTFHN-AWEZNQCLSA-N 404.289 5.309 5 40 HKBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCC2 1102477 ZJRCENCIPALUKG-UHFFFAOYSA-N 422.890 5.008 5 40 HKBB CC(C)N(C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)C(C)C 33745200 GIXAHYZLAZRGCE-UHFFFAOYSA-N 424.508 5.530 5 40 HKBB Cc1c(CSc2nnc(-c3cccc(Br)c3)o2)cccc1[N+](=O)[O-] 40127672 QTEFQGJWNWNPLB-UHFFFAOYSA-N 406.261 5.008 5 40 HKBB Cc1noc(/C=C\c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)c1[N+](=O)[O-] 408541840 GDTRWEWSFNEKEX-RAXLEYEMSA-N 421.453 5.203 5 40 HKBB CN(C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1)c1ccc2ccccc2c1 408977675 XQJUTMURNADATG-UHFFFAOYSA-N 402.457 5.694 5 40 HKBB O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 993763 DFJGAOUBIMADDH-HSZRJFAPSA-N 415.424 5.003 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 408571755 FEZPDVDDXIVELC-ZRDIBKRKSA-N 417.446 5.630 5 40 HKBB O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 408976730 SQDYMDLRIJTSRG-SFHVURJKSA-N 409.514 5.627 5 40 HKBB O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)c(Cl)c1 1437719 CNVYGZWIRVLDGQ-UHFFFAOYSA-N 402.237 6.213 5 40 HKBB Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 1897297 XJFPBTSIMWJRFL-UHFFFAOYSA-N 402.479 5.443 5 40 HKBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2c3ccccc3cc3ccccc23)NC(=S)N1 13763742 CGEZOKKFQLWIGY-DEOSSOPVSA-N 423.541 5.425 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Br)cc1)N2 408996067 KVDHFXXRFBKMCW-HJNYFJLDSA-N 421.294 5.828 5 40 HKBB CCC(=O)Oc1cn(CCC2=CCCCC2)c2nc(CC)n3c4ccccc4nc3c12 5236123 GIYKIJBHLMYILA-UHFFFAOYSA-N 416.525 5.606 5 40 HKBB Cc1c([C@H](C)NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cnn1C 72232555 IVEGUPOSNNDVRD-INIZCTEOSA-N 423.516 5.466 5 40 HKBB Cc1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 799659 FOBVSAMPFBXORL-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB Cc1cc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)ccc1[N+](=O)[O-] 824707 NZBAMWBISABQAT-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(Cl)ccc1Cl 1053159 LQOQYOSYZNXSGY-JXMROGBWSA-N 403.221 5.814 5 40 HKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 1413925 YCDSQLKASSDXKN-UHFFFAOYSA-N 417.421 5.037 5 40 HKBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccccc1Oc1ccccc1 9368100 IUJAAYUQLJCVJZ-UHFFFAOYSA-N 423.475 5.824 5 40 HKBB CC(=O)N1c2ccccc2N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(Cl)cc1 26894732 MQGIALSEFNTSGG-HSZRJFAPSA-N 419.868 5.867 5 40 HKBB CCc1ccc([C@]2(C)CC(C)(C)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1772092 OCXZHXNDKKLPLW-MHZLTWQESA-N 414.549 6.652 5 40 HKBB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3430790 SXXJFJJLEKICSI-UHFFFAOYSA-N 412.785 5.022 5 40 HKBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(OCc2ccccc2)cc1 4678447 SDEQGDLHQCYROU-UHFFFAOYSA-N 414.465 5.186 5 40 HKBB Cc1ccc(NC(=O)OCCOc2c(C(C)C)cccc2C(C)C)c([N+](=O)[O-])c1 5328947 VIXORXUAJAMSDE-UHFFFAOYSA-N 400.475 5.778 5 40 HKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] 16284501 PJRLFMLTBMLCMN-UHFFFAOYSA-N 423.432 5.043 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2c1 7848047 HKSWASHXCUDPIZ-UHFFFAOYSA-N 405.251 6.240 5 40 HKBB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cc([N+](=O)[O-])ccc1F 17092567 AHMYMYUTMFMPTL-XBXARRHUSA-N 421.211 5.953 5 40 HKBB O=[N+]([O-])c1ccc2nc(S[C@@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1 59488324 YWZAMUWTHVCYPS-IBGZPJMESA-N 412.923 6.740 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1c[nH]c2ccccc12 408567121 GOAUBGTYAWCVPO-JOCHJYFZSA-N 417.421 5.064 5 40 HKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 1463162 VYFIVIQYNCSYIM-FQEVSTJZSA-N 406.869 5.906 5 40 HKBB Cc1ccc(C(C)C)c(OCCCn2c3nc4ccccc4nc3c3cccc(C)c32)c1 2370776 KKXZBWQARQAWKF-UHFFFAOYSA-N 423.560 6.947 5 40 HKBB Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 13668549 RSYKMFKCOKIRIB-UHFFFAOYSA-N 412.898 6.101 5 40 HKBB Cc1c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cccc1[N+](=O)[O-] 20493717 BXOVBYYRDHGSFG-UHFFFAOYSA-N 408.479 5.327 5 40 HKBB COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1Cl 32109306 YDIQGBLJVVJFMR-UHFFFAOYSA-N 423.812 5.317 5 40 HKBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 225757957 MOBRGKAMMYVEJR-UHFFFAOYSA-N 418.493 5.987 5 40 HKBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 408545578 ZZONKFCBYJCAHD-CMDGGOBGSA-N 400.818 5.303 5 40 HKBB Cc1ccccc1N[C@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2c(C)cccc21 3013205 CEDOKBKKWCYACF-JPYJTQIMSA-N 415.493 5.804 5 40 HKBB COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3)C=C[C@H]2c2ccccc2)cc1OC 4963840 XXJKJSIFJWRZMJ-VNRZQXBUSA-N 415.489 5.570 5 40 HKBB Cc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1[N+](=O)[O-] 6627746 WIGKMPFFVGXWFJ-UHFFFAOYSA-N 408.801 5.012 5 40 HKBB C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 23054922 UUGQUGJNWVIDNO-UWVGGRQHSA-N 416.692 5.233 5 40 HKBB CCCCCN(CCCCC)C[C@H](O)c1ccc2cc(Cl)c3ccccc3c2c1 1729530 XBHJMKMTVBMUCF-SANMLTNESA-N 412.017 7.362 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccccc3Cl)c12 2264097 JNNKPRSAJFPIIU-UHFFFAOYSA-N 401.897 6.169 5 40 HKBB Cc1ccccc1N[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)cccc21 3013204 RPGCCIKJJHQPRZ-FDDCHVKYSA-N 415.493 5.804 5 40 HKBB O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 9434221 IAVHRDZEDWWBTE-UHFFFAOYSA-N 418.909 5.282 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccncc2)nc2ccccc12 16740470 TZNFQBYRMOLUIX-UHFFFAOYSA-N 404.813 5.111 5 40 HKBB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 17088363 NLYYAFSFBPFYRD-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB CN(c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1)C1CCCCC1 59489917 YQZRIHIGEUYKLL-DEOSSOPVSA-N 409.530 5.285 5 40 HKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 10187631 DPFRYKBBWHMORE-UHFFFAOYSA-N 424.869 5.100 5 40 HKBB Cc1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1[N+](=O)[O-] 13001638 GNZLJORGZHRFQX-UHFFFAOYSA-N 417.874 5.153 5 40 HKBB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 959523 REUMYMDVTHQBED-UHFFFAOYSA-N 410.451 5.061 5 40 HKBB Cc1cc(Br)c(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)cc1C 5724773 DCDGLRUNCBLYSU-UHFFFAOYSA-N 400.276 5.444 5 40 HKBB C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 8157400 PLBUXAKUHLEBOP-SECBINFHSA-N 401.835 5.028 5 40 HKBB COc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc2ccccc2c1Br 17090193 HELAWNNZCVPKBY-UHFFFAOYSA-N 415.243 5.080 5 40 HKBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 222712286 JQDGKLMCTYOLJR-XMDBHEJHSA-N 420.494 5.229 5 40 HKBB COc1cccc(-c2nc3ccccc3s2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409261949 GGEXCMIAGOQJCN-UHFFFAOYSA-N 423.406 5.581 5 40 HKBB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1cccc([N+](=O)[O-])c1 2088869 CGOCKINVGNYYBX-UHFFFAOYSA-N 417.852 6.024 5 40 HKBB Cc1cccn2cc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc12 2629402 JECOVRLTRQMWMC-UHFFFAOYSA-N 406.829 5.124 5 40 HKBB Cc1ccc(NC(=O)[C@H](N[C@H]2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 6865170 KJFSXUAENFYSSL-XUZZJYLKSA-N 415.493 5.250 5 40 HKBB aggregator O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 408997023 FZZOFFSHMQTBCV-KRWDZBQOSA-N 407.477 5.286 5 40 HKBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(C3CCCCC3)nc21 2200010 PXOMDVRMYBZYGP-UHFFFAOYSA-N 405.542 5.191 5 40 HKBB CCCCN(CCCC)c1ccc2nc3c(C)cc(N(CC)CC)cc3[s+]c2c1 4366194 PSDRMSUHANKGMA-UHFFFAOYSA-N 410.651 7.292 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)n(OCc3ccccc3Cl)c2c1 8733647 PTXXFXAFCFHXSS-UHFFFAOYSA-N 414.248 5.547 5 40 HKBB CCc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(SC)cc2)cc1 12413240 LHUFJWVOSHEXOE-HSZRJFAPSA-N 420.534 6.305 5 40 HKBB CCOc1ccc(C(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 58111538 ZGJANWJREVPRSS-ZDUSSCGKSA-N 422.403 5.378 5 40 HKBB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Cc1ccc([N+](=O)[O-])cc1 59428167 HYPQEWNVAGVBMU-VGOFRKELSA-N 401.466 5.116 5 40 HKBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl 72229396 KWDCAWIALBYCSJ-UHFFFAOYSA-N 414.676 5.408 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NC1CC(C)(C)NC(C)(C)C1 952241 RGAXLWXWAKYMJF-UHFFFAOYSA-N 405.542 5.286 5 40 HKBB CCOc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1 2479630 XNPCQOHMQXAZQR-UHFFFAOYSA-N 401.465 6.665 5 40 HKBB Cc1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2Cc1ccc(C(C)(C)C)cc1 4107928 CSWROMJTXZIFFE-UHFFFAOYSA-N 416.477 6.153 5 40 HKBB CCCN(CCC)[C@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729655 KVKLIOPLLKTGRE-WAIKUNEKSA-N 414.387 6.299 5 40 HKBB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] 13954935 XNCYUWBMGDBGEC-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB O=C(COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 408618140 DPMSUVOCDWSCCS-UHFFFAOYSA-N 420.204 5.201 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CC1CCCCC1 409135471 RGTXPPVTWQIWJB-UNOMPAQXSA-N 412.467 5.471 5 40 HKBB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cccc1[N+](=O)[O-] 1311271 XTWXUYHRACKUDC-UHFFFAOYSA-N 407.392 5.165 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2c3c(cccc13)CC2 4741179 KQYDWVYXMGTBAK-NTCAYCPXSA-N 410.429 5.759 5 40 HKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 7093761 JCYARJHYSVRJME-UHFFFAOYSA-N 404.797 5.139 5 40 HKBB COc1ccccc1-c1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)o1 21750445 VDCALYLDSBJRKB-UHFFFAOYSA-N 416.458 5.297 5 40 HKBB COc1ccc(/C=C/c2nc3ccccc3nc2OCc2cccc([N+](=O)[O-])c2)cc1 33561551 XXHMTYAQSBYADJ-SDNWHVSQSA-N 413.433 5.296 5 40 HKBB CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2[N+](=O)[O-])CC1 57316004 LXAYLIJOMVSBGO-UHFFFAOYSA-N 422.529 5.074 5 40 HKBB O=[N+]([O-])c1cccc(-c2ccc(C3N(c4ccccc4)CCN3c3ccccc3)o2)c1 2067901 HTRGYWNTRQQXHQ-UHFFFAOYSA-N 411.461 5.880 5 40 HKBB O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(/C=C(\Cl)c3ccccc3)cc21 3845002 NCOSLVMCDCDGJU-PDGQHHTCSA-N 404.809 5.159 5 40 HKBB Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1 409388043 JZUNFOMUPDZTNR-UHFFFAOYSA-N 419.384 5.343 5 40 HKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1408134 WVXRWKZGHBBUAH-UHFFFAOYSA-N 406.829 5.352 5 40 HKBB COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2cccc(C)c2)cc1 5477953 RKIFKCUXJIXJBC-UHFFFAOYSA-N 403.485 6.415 5 40 HKBB Cc1ccc(C)c(N2C(=N)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 59639185 VBDKWECUUKCCPM-GWBOVJIUSA-N 419.462 5.527 5 40 HKBB S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCC1 408975519 MJYXWXWABUNVQI-UHFFFAOYSA-N 424.533 5.062 5 40 HKBB Cc1ccc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 2668011 VSYNUSKUHDUROQ-UHFFFAOYSA-N 402.295 5.857 5 40 HKBB Cc1ccc(C(C)C)c(OCCCn2c3ccccc3c3nc4ccccc4nc32)c1 2668937 VJWWSKCUVWFYGL-UHFFFAOYSA-N 409.533 6.639 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccccc2Cl)cc1 8435772 PZDCCKLTOGOZIE-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1Cl 9234614 QWBVLCRSZWBFGW-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2cc1C 9708065 IGBDGMIZVJLDQW-UHFFFAOYSA-N 418.478 5.063 5 40 HKBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 33584725 LNTFZTYYBXRFOF-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB COc1ccc(Br)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 2312279 KRBXDIGMYPMWTQ-UHFFFAOYSA-N 403.279 6.307 5 40 HKBB CCCCCC1CCC(c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)CC1 4036636 ATMZCWVTRRSTCO-UHFFFAOYSA-N 413.547 5.399 5 40 HKBB Cc1ccc(-c2nc(NC(=O)c3ccco3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 59463605 NGAQCXVXCLQZCP-UHFFFAOYSA-N 405.435 5.539 5 40 HKBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(Cl)cccc1Cl 214711975 GOIYUGQEQTXFNT-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB CCCn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409092064 XIHYIQVLNFHGHE-UHFFFAOYSA-N 422.432 5.357 5 40 HKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(F)cc1 1268577 GOHJNJPAXIUMPV-UHFFFAOYSA-N 423.399 6.396 5 40 HKBB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c2ccc2ccccc23)cc1 1768306 CEACMTITRIFNBA-UHFFFAOYSA-N 414.461 5.485 5 40 HKBB O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)nc(-c3cc(Cl)ccc3O)c2)c1 1864047 JIDRMYRBBRZIHF-UHFFFAOYSA-N 402.837 6.350 5 40 HKBB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1cccc([N+](=O)[O-])c1 6961487 JVDSAZOLHXSAMC-UHFFFAOYSA-N 406.463 5.849 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C 32116429 CNLVRGWJRXLWEI-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB CCCc1ccc(-c2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C)cc1 3354215 RWUYMKDUPDISTH-UHFFFAOYSA-N 415.902 5.885 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Cl)=C\c2ccccc2)cc1/C=C\c1ccccc1 4701556 DYSQENXWMXGQJH-NALWFHSCSA-N 406.825 6.410 5 40 HKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408612458 WDDQKXKCSBCHBC-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=C(Nc1cccc(Br)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408908678 XTAVJWGSVQCQCW-DEDYPNTBSA-N 423.266 5.537 5 40 HKBB O=c1c2ccccc2c(=O)c2c1c(Oc1ccccc1)cc1oc3ccccc3[nH]c12 4256352 XRINKPPYEZQIHT-UHFFFAOYSA-N 405.409 5.733 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccccc1F)n1c3ccccc3nc21 5205407 JWINUHDSFOTSEP-UHFFFAOYSA-N 408.436 5.177 5 40 HKBB O=[N+]([O-])c1ccc(Oc2ccc(OCc3ccccc3)c(F)c2)c(Br)c1 8782094 LFVICMDZKCIQLC-UHFFFAOYSA-N 418.218 5.868 5 40 HKBB CCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 12419235 XYPQIRFDKAYILI-FYWRMAATSA-N 419.437 5.245 5 40 HKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 16282614 CTQUHAHFDXTNNS-UHFFFAOYSA-N 403.463 5.741 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(C)c1 224116308 IGQSVRPGIPVLHW-UHFFFAOYSA-N 406.438 5.052 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 408556296 JLIXSVVAWYHLLW-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)cc1 2247958 JYUHCOPEBMZGOV-UHFFFAOYSA-N 415.840 5.256 5 40 HKBB Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 3348839 MOCZHFAGHOGTQO-UHFFFAOYSA-N 417.852 6.024 5 40 HKBB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] 17093289 CGRDZNRWYDNCIM-UHFFFAOYSA-N 422.828 5.052 5 40 HKBB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215017657 HEZTYAJUGSZATQ-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2C[C@@H](c3ccccc3)O[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 226761566 YJASYVLTQWVUMA-FDFHNCONSA-N 406.394 5.421 5 40 HKBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)cc1 408561924 LQJCKRLDFAYGQN-XDOYNYLZSA-N 415.902 5.102 5 40 HKBB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc([N+](=O)[O-])cc1 989466 JMELYKKZZLNDSJ-UHFFFAOYSA-N 409.401 5.809 5 40 HKBB Cc1cccc(C(=O)Nc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)oc3ccccc23)c1 4267939 IJRMNRLGEKSKGO-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Cl 17092808 PFEWAZSRPUSIPM-UHFFFAOYSA-N 421.639 5.328 5 40 HKBB Cc1cc(C)c2nc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)sc2c1 59294105 ZSCVJAZQGUFTJS-UHFFFAOYSA-N 424.526 5.310 5 40 HKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 408605670 GJHRMDRVYZPSQT-UHFFFAOYSA-N 416.836 5.587 5 40 HKBB CC(=O)c1cccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 7968744 FYMOGLSWSCVFDZ-UHFFFAOYSA-N 410.426 5.340 5 40 HKBB O=C(Nc1nc2cc(Cl)ccc2s1)c1sc2c([N+](=O)[O-])cccc2c1Cl 16430916 OJNSUPSQZXLOQU-UHFFFAOYSA-N 424.290 5.978 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 13563514 BABLBXUCYQPAFW-UHFFFAOYSA-N 410.242 5.064 5 40 HKBB CC1(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])COC(c2ccc(Cl)cc2)OC1 20568407 WUAHGVUFQWFPHW-UHFFFAOYSA-N 416.783 5.183 5 40 HKBB CNc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1[N+](=O)[O-] 33594007 QHDWECAIKOLCPF-WZMONFQBSA-N 403.438 5.006 5 40 HKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)c(OC)c1 706783 UBRSXHNEYQNTAT-HXUWFJFHSA-N 402.450 5.261 5 40 HKBB COc1cc2c(cc1OC)c1c(OC)c(OC)cc3c1c1c2sc(=S)n1CC3 1619590 ZKLIHPWOVLUFIH-UHFFFAOYSA-N 413.520 5.329 5 40 HKBB C[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccccc1F 4246550 QJJLKJRHQTVQHZ-AWEZNQCLSA-N 416.481 5.294 5 40 HKBB Cc1ccc(-n2c(/C=C\c3ccc([N+](=O)[O-])cc3)nc3cc([N+](=O)[O-])ccc32)cc1 4701272 FDUMEYJSHNJAPS-MLPAPPSSSA-N 400.394 5.321 5 40 HKBB O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 8986703 VDLKDUQCTTWUHE-UHFFFAOYSA-N 424.869 5.415 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2 408995760 NFQIUEXHDOSLEQ-BUKVSMQUSA-N 411.288 6.373 5 40 HKBB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409118322 PWDVZJFCTRFQFJ-UHFFFAOYSA-N 412.873 5.756 5 40 HKBB CCCCN(CCCC)CCCCNc1ccc(C)c2sc3ccccc3c(=O)c12 4367243 JRHVEWDODFYWFD-UHFFFAOYSA-N 424.654 6.817 5 40 HKBB CCNc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 5660040 MEBPPEPTYKBCNF-UHFFFAOYSA-N 410.470 5.114 5 40 HKBB CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 408562061 MOYIOSKWMOVCRW-FCQUAONHSA-N 409.511 5.065 5 40 HKBB Cc1ccc(N(C)C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1C 38315158 ONWHWQGFTGTWPM-UHFFFAOYSA-N 412.518 5.681 5 40 HKBB Oc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1 95479925 OTPKYYLAEYKYFS-UHFFFAOYSA-N 401.422 5.230 5 40 HKBB CCN=c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3oc-2c1 367758884 MFHNOOSLQRVHRZ-UHFFFAOYSA-N 414.505 5.670 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccccc2)c1 408555638 HMLLPIFMSIABSR-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1 1815688 JALKQNYWFMXWNM-UHFFFAOYSA-N 410.355 5.967 5 40 HKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1CC(=O)c1ccc([N+](=O)[O-])cc1 3013219 UPDBKEYTWDVHDP-SANMLTNESA-N 414.505 5.772 5 40 HKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1cc(F)c(F)cc1Cl 4512164 WOLACPZTZFLGEQ-UHFFFAOYSA-N 401.821 5.599 5 40 HKBB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 40556432 WLYFHHJQIOPTGX-UHFFFAOYSA-N 417.516 5.211 5 40 HKBB Cc1cccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3ccccc3c2=O)c1 101360000 RRNQHZYKILXIMH-UHFFFAOYSA-N 416.458 5.397 5 40 HKBB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 4703859 JTUYJHJZSRXIOC-UHFFFAOYSA-N 401.422 5.779 5 40 HKBB Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 4927490 RVSNBJQYNDRQJD-UHFFFAOYSA-N 404.451 5.824 5 40 HKBB C[n+]1c2ccccc2c(Oc2c3ccccc3[n+](C)c3ccccc23)c2ccccc21 5554836 SMVIOGQFCOBMGP-UHFFFAOYSA-N 402.497 5.741 5 40 HKBB O=[N+]([O-])c1cccnc1Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 12551306 HLJRYWRGIVWBBO-UHFFFAOYSA-N 423.479 5.528 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc(Nc3ccc(Br)cc3)c3ccccc3n2)cc1 16972159 QLXBPEIXBFSMOG-UHFFFAOYSA-N 421.254 5.711 5 40 HKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224962793 ZHLHXZIFKDSNCV-UHFFFAOYSA-N 419.824 5.823 5 40 HKBB O=c1[nH]c(Nc2ccc(F)cc2)c(Sc2ccc([N+](=O)[O-])cc2)c2ccccc12 3262888 TVEHJEBNADHDQY-UHFFFAOYSA-N 407.426 5.470 5 40 HKBB O=C(Nc1ccccc1-c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 3314975 YYHNNQLVDBLBSM-NCELDCMTSA-N 420.468 6.441 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)C=C1CCCCCC3=Cc4cc([N+](=O)[O-])ccc4OC13O2 4812479 ZYABKUFXVDWOOZ-UHFFFAOYSA-N 406.394 5.415 5 40 HKBB COc1ccc2c(=O)c3c(nc(-c4ccccc4C)n4c5ccccc5nc34)oc2c1 5206914 APHLZABMAZWRMI-UHFFFAOYSA-N 407.429 5.126 5 40 HKBB O=C(Nc1ccccc1)c1sc(NCc2ccco2)nc1-c1ccc([N+](=O)[O-])cc1 9780285 ZPDNXTOKWZLBJR-UHFFFAOYSA-N 420.450 5.176 5 40 HKBB Cc1c(C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])sc2nc(-c3ccccc3)cn12 16740412 LBOXMBNDQILCHY-UHFFFAOYSA-N 412.858 5.185 5 40 HKBB O=[N+]([O-])c1cc2nc(-c3ccccc3)nc(O)c2cc1/C(Cl)=C/c1ccccc1 16953224 RXDOLZCKFNLTOY-WQRHYEAKSA-N 403.825 5.648 5 40 HKBB COc1cccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1 21579200 VPVRXJWBFHQZRO-UHFFFAOYSA-N 423.812 5.317 5 40 HKBB O=[N+]([O-])c1ccc(Sc2cc(-c3nc4ccccc4s3)c3ccccc3n2)cc1 3349409 UVCNWPLUVOCYLI-UHFFFAOYSA-N 415.499 6.571 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Cl)c2ccccc2)cc1/C=C\c1ccccc1 13403274 FZFHORCIEZPSME-BUGXHRFLSA-N 406.825 6.410 5 40 HKBB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2c(C)c(O)ccc23)cc1OC 96114840 OUDUWFKNMKYGGA-UHFFFAOYSA-N 417.465 5.610 5 40 HKBB biogenic CC1CC[N+](C)(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226069404 OZGOTBIZXJXHJM-DWNDAPBDSA-N 420.658 5.033 5 40 HKBB O=C(CSc1ncc(-c2ccc(Cl)cc2)[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 855494 PRPVXAQASMABLB-UHFFFAOYSA-N 423.281 5.023 5 40 HKBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(Cl)ccc1Cl 2204287 SFTDQRFYUIVFOE-UHFFFAOYSA-N 424.291 5.000 5 40 HKBB O=C(Cc1ccc(F)cc1)Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 3140518 CWKFHUMISABQGB-UHFFFAOYSA-N 416.861 5.720 5 40 HKBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1 4144678 LHJFPMZSIYZEIR-UHFFFAOYSA-N 422.897 5.788 5 40 HKBB Cc1cc2nc3ccccc3c(=O)n2c(SCc2ccc(Cl)cc2Cl)n1 5008282 CVVFZINFVQXCRB-UHFFFAOYSA-N 402.306 5.150 5 40 HKBB O=C(Nc1ccccc1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975064 JMCRCCVRJRZEJG-UHFFFAOYSA-N 401.429 5.132 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 12568174 VANQBNPBJUUTSG-MDWZMJQESA-N 416.462 5.274 5 40 HKBB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F 854731 HWJPVAWZLVCSPO-UHFFFAOYSA-N 410.188 5.256 5 40 HKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C 2222865 QMBGWKGHSHXSRA-MRXNPFEDSA-N 411.509 5.180 5 40 HKBB Cc1ccc(C(=O)N[C@H](Sc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 836890 XFAKQJSOOQVAHX-OAHLLOKOSA-N 419.717 5.122 5 40 HKBB Cc1cc(NC(=O)CSc2nc3ccccc3s2)c2ccc3ccccc3c2n1 40384499 CLUZAOFUKJOGNB-UHFFFAOYSA-N 415.543 6.037 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(-c2nc3ccccc3s2)c1 409268616 WPZQAECGLZRTFI-UHFFFAOYSA-N 416.380 6.683 5 40 HKBB Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1[N+](=O)[O-] 726887 YESWNBQFPGTURR-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB CCOc1cc2nc3c4cc(Br)ccc4n(CC)c3nc2cc1OCC 1471353 CNCQUHKAQGMTRS-UHFFFAOYSA-N 414.303 5.318 5 40 HKBB COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1 16217463 IWCYHVFSDWBFCL-UHFFFAOYSA-N 421.434 5.239 5 40 HKBB O=[N+]([O-])c1ccc(S[C@H]2CSc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 36625084 DQXXGBIMTPVJJO-LEWJYISDSA-N 419.531 5.801 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cc(C)cc(C)c1 224199164 PWAGYMYBIVSZSC-UHFFFAOYSA-N 420.465 5.360 5 40 HKBB CCCCCCn1cc(OC(=O)CCC)c2c1nc(CCC)n1c3ccccc3nc21 2215861 POYAPSZLMCNMRN-UHFFFAOYSA-N 420.557 6.076 5 40 HKBB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] 6961660 CCPWLVCPBATTDR-UHFFFAOYSA-N 406.463 5.849 5 40 HKBB CCOc1ccc(Oc2ccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)cc2)cc1 13096020 XCSTXXDFAWLAJS-UHFFFAOYSA-N 424.478 5.760 5 40 HKBB Cc1sc2[nH]c(/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)nc(=O)c2c1-c1ccccc1 13131040 OGQGOAXXOAGGHE-WJDWOHSUSA-N 423.881 5.605 5 40 HKBB COc1cc(OC)cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C(C)C)c1 79494148 HYRXCHRUKVNVHC-UHFFFAOYSA-N 419.437 5.007 5 40 HKBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc(OC)c1O 96115408 MFFLTRCELYZBAA-UHFFFAOYSA-N 419.437 5.007 5 40 HKBB biogenic O=C(Nc1oc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 101345626 FNBWALFFAWMJQT-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl 225508697 KUYNEGRGBGQWAA-UHFFFAOYSA-N 402.878 5.488 5 40 HKBB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cn3cc([N+](=O)[O-])cn3)n2)cc1C 17082200 XIWXDDNVWBWRNH-UHFFFAOYSA-N 401.470 5.061 5 40 HKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2Cl)c1 22258418 IOFMSFXRGPDEBL-UHFFFAOYSA-N 417.248 5.733 5 40 HKBB COc1ccc([C@@H](Nc2cccc([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1 1800281 PPCSRPJKXARTHQ-FQEVSTJZSA-N 422.418 5.757 5 40 HKBB Cc1cc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc12 12486184 KGNFRRGXADCARQ-GFCCVEGCSA-N 401.875 5.224 5 40 HKBB O=[N+]([O-])c1ccc(/C=C/c2nc3ccc(OC(F)(F)F)cc3c3c2CCS3)cc1 8855473 KACKRBHTIHFQNO-XVNBXDOJSA-N 418.396 5.860 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 18193032 AHEZUKNPBHWGQP-NYYWCZLTSA-N 403.369 5.194 5 40 HKBB COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OCc1ccccc1 113683331 ZCQHXCZWPBJLKD-UHFFFAOYSA-N 420.396 5.662 5 40 HKBB COc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 44839533 PNGURCVRBSDKHX-CSUZIONRSA-N 402.450 5.021 5 40 HKBB COc1c(-c2c(OC)c3ccccc3c3ccccc23)c2ccccc2c2ccccc12 2182859 WASSYTYWNLUGTE-UHFFFAOYSA-N 414.504 7.984 5 40 HKBB O=C(OCc1c(Cl)cccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5560533 ZOONBPLVRVWLTO-UHFFFAOYSA-N 409.269 5.249 5 40 HKBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)c1 12437097 BXEQXRAKTPGBPO-AOYPEHQESA-N 421.456 5.990 5 40 HKBB Cc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1[N+](=O)[O-] 32127990 OUSOJBAQKZWSLC-UHFFFAOYSA-N 423.428 6.117 5 40 HKBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1N1CCCC1 96191658 OKVNNKIDTUIYOO-UHFFFAOYSA-N 410.477 5.919 5 40 HKBB Cc1cccc2c1ccc1c3occ(C)c3c3[nH]c(-c4ccc5ncccc5c4)nc3c21 1547204153 IPHSXNNLRKZRFW-UHFFFAOYSA-N 413.480 7.448 5 40 HKBB biogenic Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 822712 QMCKCBDYDUTOCO-UHFFFAOYSA-N 403.463 5.741 5 40 HKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)nc12 1518267 FPDWQDODQSNXBH-UHFFFAOYSA-N 421.434 5.258 5 40 HKBB CCCCN(CCCC)C[C@@H](O)c1c2cccc(Cl)c2cc2c(Cl)cccc12 5973429 FNFOFTTWLZACPO-HSZRJFAPSA-N 418.408 7.235 5 40 HKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(CSc2ccc(Cl)cc2)cc1 6882773 DLNLTERHDRZIKJ-UHFFFAOYSA-N 413.882 5.898 5 40 HKBB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] 12843640 UKWMDHVBSKUPDY-UHFFFAOYSA-N 415.453 5.013 5 40 HKBB COc1ccccc1Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(C)c1[N+](=O)[O-] 16249521 VPAGGSUGZITIJN-UHFFFAOYSA-N 419.363 5.208 5 40 HKBB O=[N+]([O-])c1ccc(/C=C/c2nc3c(C(F)(F)F)cccc3c3c2CCS3)cc1 8782185 PJYXZRMIZGKZMV-RMKNXTFCSA-N 402.397 5.980 5 40 HKBB CC1(C)c2ssc(=S)c2-c2cc([N+](=O)[O-])ccc2N1C(=O)c1ccccc1 9357085 DBESMXDEXMHIPH-UHFFFAOYSA-N 414.533 6.010 5 40 HKBB O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(COc2c(Cl)cccc2Cl)cc1 16384073 WGJQMQTZKUYMBX-UHFFFAOYSA-N 424.667 6.926 5 40 HKBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17093593 RKCXBFJFTZWTQJ-CQSZACIVSA-N 423.494 5.495 5 40 HKBB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106739274 BWBIXVSVSOEKBB-VCRXTVNUSA-N 412.467 5.009 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C)cc1 224472664 HTYCJAKQHYNUFW-UHFFFAOYSA-N 420.465 5.442 5 40 HKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)c(OC)c1 3234632 RIKVIEGFSJHRAL-QFIPXVFZSA-N 402.450 5.032 5 40 HKBB aggregator COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(C(C)=O)ccc2OC)cc1 6537394 KOHOMKGCHGVBIU-UHFFFAOYSA-N 407.422 5.061 5 40 HKBB Cc1ccc([C@@H](NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 20460824 GGDTZHZEFVJVNH-QHCPKHFHSA-N 406.507 5.042 5 40 HKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2coc(-c3ccccc3)n2)cc1 23077412 WULKENDPHSLJEP-UHFFFAOYSA-N 402.406 5.504 5 40 HKBB O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 59417202 JZHPTZVLJVUWMP-UHFFFAOYSA-N 420.318 5.797 5 40 HKBB O=C(Nc1ccc(Br)cc1[N+](=O)[O-])C1c2ccccc2-c2ccccc21 98087260 FJMYNDRLMCCVLN-UHFFFAOYSA-N 409.239 5.108 5 40 HKBB CCc1ccccc1NCc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409110747 GJXSKTGOGZGWDG-UHFFFAOYSA-N 416.399 6.580 5 40 HKBB CC(C)(C)c1ccc(-c2csc3nc4c5ccccc5c(Cl)nn4c(=O)c23)cc1 35569161 IXFYHXRBUFEEAK-UHFFFAOYSA-N 419.937 6.075 5 40 HKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)c1 408997979 PLQKKNKXOCCLRZ-BWAGFHJFSA-N 421.840 5.627 5 40 HKBB Cc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 4129819 MUIHFPFVWBPFKB-UHFFFAOYSA-N 406.445 5.490 5 40 HKBB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108919435 WDBKGKOZXWCYOI-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB Cc1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)c([N+](=O)[O-])c1 408635025 WSVAKLYASMTKRB-ODLFYWEKSA-N 421.434 5.257 5 40 HKBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(Cl)c3)c2ncn1C1CCCC1 2258050 KZIRMSFFWSQWBS-UHFFFAOYSA-N 415.884 5.052 5 40 HKBB COc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)nn(-c4ccc(F)cc4)c3c2c1 4970009 SECRGHCMDLCHIH-UHFFFAOYSA-N 414.396 5.297 5 40 HKBB O=C(Nc1nc2ccc(Cl)cc2s1)c1sc2c([N+](=O)[O-])cccc2c1Cl 9348192 CTCRDMPIYYHEQR-UHFFFAOYSA-N 424.290 5.978 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 21596049 IPVMPQXFGDBRPS-UHFFFAOYSA-N 412.210 5.277 5 40 HKBB O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408607989 LITCZHCCMVQJEB-UHFFFAOYSA-N 418.880 6.593 5 40 HKBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])c1c(-c2ccc(Cl)cc2)cc2ccccn12 3236012 AIAIPLIPDSSCIK-UHFFFAOYSA-N 411.244 6.052 5 40 HKBB CC(C)CCC[C@@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 5030293 MIZARBNQZYHSNQ-MRXNPFEDSA-N 403.486 5.942 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 5446891 JYAABZANOHZQOA-UHFFFAOYSA-N 418.389 6.621 5 40 HKBB O=C(CN(C1=NCCCCC1)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 8418294 BGVVHCBZNVSYEE-UHFFFAOYSA-N 419.403 5.275 5 40 HKBB CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 12401622 QJAHIXUOPMLRPD-UHFFFAOYSA-N 422.890 5.006 5 40 HKBB O=C(Nc1ccccc1Cl)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 16450399 FYAQWWQTUJXQQP-UHFFFAOYSA-N 413.773 5.201 5 40 HKBB O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@@H]2[C@@H]4CC[C@H](c5ccccc54)[C@@H]32)c([N+](=O)[O-])c1 104282924 YGYDTRAJEUMBJN-SZAWYWIZSA-N 418.449 5.111 5 40 HKBB O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408624966 WHEUPHBJRIPURF-UHFFFAOYSA-N 421.634 5.523 5 40 HKBB CCC(=O)Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 409176094 HHALDAOGAHRBEM-UHFFFAOYSA-N 420.421 5.093 5 40 HKBB O=c1oc2ccccc2c(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] 4993517 ATSAKQYQVITTOB-HXUWFJFHSA-N 411.417 5.057 5 40 HKBB CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(C(=O)Nc2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 5446980 JYVKYQQXVKZVHR-KOSHJBKYSA-N 416.481 5.208 5 40 HKBB O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c2ccncc12 6785851 VDXGKRKACCTOAM-IBGZPJMESA-N 414.490 5.930 5 40 HKBB O=C(Nc1ccc(N2CCCC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 9422391 XJCVGWWUTNGZPM-UHFFFAOYSA-N 401.875 5.315 5 40 HKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2Cl)nc2ccccc12 409179461 OMBFUJXAEPQWAW-UHFFFAOYSA-N 418.836 5.820 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 2986284 KAUAJBNHFHHKBD-STZFKDTASA-N 416.458 5.498 5 40 HKBB Cc1ccccc1N[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2c(C)cccc21 3013207 CEDOKBKKWCYACF-WZONZLPQSA-N 415.493 5.804 5 40 HKBB O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)Nc1cccc2ccccc12 408992328 ACLUURGRIICHAM-UHFFFAOYSA-N 403.445 6.062 5 40 HKBB COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C 14780665 XCHVRLXEQIEULZ-UHFFFAOYSA-N 407.510 5.129 5 40 HKBB biogenic,in-vitro Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17090956 OKIIAWRKNMGICT-FNORWQNLSA-N 417.248 6.122 5 40 HKBB O=[N+]([O-])c1ccc(-c2csc(NCc3ccccc3)[n+]2Cc2ccccc2)cc1 26570064 NTSIICWSUCLSHE-UHFFFAOYSA-O 402.499 5.271 5 40 HKBB O=C1CC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)N1c1ccccc1 65090565 WDSBIHQEZMHHQZ-GGAORHGYSA-N 404.491 5.624 5 40 HKBB Cc1nn2cc(-c3cccc([N+](=O)[O-])c3)cc2c2c(C)n(Cc3ccccc3)c(C)c12 1106341 GPYUJENPXQZDNR-UHFFFAOYSA-N 410.477 5.838 5 40 HKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)c1 408619543 CSEVLGIPJJMAAP-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccccc1Cl 2438240 VOGNWDMYWAWRJR-UHFFFAOYSA-N 417.896 5.869 5 40 HKBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1[C@H](Cc1ccccc1)c1ccccc1 5328303 NTEKPJXABRFXGG-HSZRJFAPSA-N 422.440 5.328 5 40 HKBB CCOc1ccc(Nc2nc(Nc3ccc4ccccc4c3)nc(C)c2[N+](=O)[O-])cc1 5393487 FAXFYEUEFKVASJ-UHFFFAOYSA-N 415.453 5.732 5 40 HKBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2)cc1NC(=S)Nc1ccccc1 16490009 XKCQGJDMDMOYSS-UHFFFAOYSA-N 423.523 5.213 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 408608044 MFVHGIBVZXCDDZ-UHFFFAOYSA-N 418.880 6.593 5 40 HKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccccc1 2751260 JWGOZPXKJBLYKD-UHFFFAOYSA-N 405.409 6.257 5 40 HKBB CCc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)cc1 72229144 HVVFRYJRTSKLSK-AWEZNQCLSA-N 401.894 5.442 5 40 HKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1Br 5059142 KZDVJDZIRADIRS-UHFFFAOYSA-N 409.235 5.066 5 40 HKBB CSc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408568073 HNQXXFTXEAQZGB-LJQANCHMSA-N 414.556 5.025 5 40 HKBB Cc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1C 409137468 XMIWFJIGXOXJJL-UHFFFAOYSA-N 416.399 6.635 5 40 HKBB O=c1[nH]c(/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)nc2ccccc12 13134311 LIKRMGCRUQAODQ-ZRDIBKRKSA-N 419.824 5.447 5 40 HKBB Cc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 17090957 LZBOWBVUFHEXLL-QPJJXVBHSA-N 417.248 6.122 5 40 HKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59960983 CSQKKZNLPOXKMO-XCVCLJGOSA-N 402.494 5.715 5 40 HKBB Cc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 409178686 NVTSVABQMWZCEA-OAQYLSRUSA-N 409.825 5.338 5 40 HKBB Cc1c(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cccc1[N+](=O)[O-] 677514 CFEIYVPIIQZOAU-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB Cc1ccc(-c2nn3c(=O)c4cc(-c5ccccc5)sc4nc3c3ccccc23)cc1 3267699 VCOGQSPEJWUUOZ-UHFFFAOYSA-N 419.509 6.100 5 40 HKBB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 4838641 KUFRBHJEZJXPHV-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB Cc1ccc(NC(=O)[C@@H](C)Sc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1[N+](=O)[O-] 4903243 LBDBHIOLNWIRHL-GFCCVEGCSA-N 416.890 5.066 5 40 HKBB Cc1ccc([C@H](C)Nc2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])cc1 15833849 AGSSQJSVUVEWOL-HNNXBMFYSA-N 401.426 5.188 5 40 HKBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 16637046 UYEBPTZKPKXKOV-WEVVVXLNSA-N 422.268 5.292 5 40 HKBB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 408629210 PZXWCTMZXRXJJO-MRXNPFEDSA-N 405.454 5.486 5 40 HKBB CCCCN(CCCC)C[C@H](O)c1c2cccc(Cl)c2cc2c(Cl)cccc12 1568043 FNFOFTTWLZACPO-QHCPKHFHSA-N 418.408 7.235 5 40 HKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)sc2c1 2074818 NRFUJASQVFTSMR-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB Cc1nn(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)c(C)c1[N+](=O)[O-] 2736438 QUCYWOVWVBOHPB-UHFFFAOYSA-N 419.268 5.016 5 40 HKBB Clc1ccc(-c2cc(/C=C/C=C/c3ccccc3)c3c(ccc4ccccc43)n2)cc1 3147467 CRYILSKWOHGJMU-JBZDOKMESA-N 417.939 8.435 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1C 32116707 HBIOKECBSRWYIW-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB Cc1c(CSc2nnc(Cc3cccs3)n2-c2ccccc2)cccc1[N+](=O)[O-] 59124314 QPQBHFNPLYOVCR-UHFFFAOYSA-N 422.535 5.429 5 40 HKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C 118931339 JFVDCZHPKBHYJV-QCYZZNICSA-N 417.678 7.753 5 40 HKBB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3n2)s1 996632 WGDSPHGHDARZIQ-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccccc1[N+](=O)[O-] 2651217 VDJZNPZVPAZMEO-UHFFFAOYSA-N 418.478 5.331 5 40 HKBB Cc1ccc(NC(=O)[C@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1 6865145 KJFSXUAENFYSSL-ZJSXRUAMSA-N 415.493 5.250 5 40 HKBB aggregator Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])nc3)nnc2-c2ccccc2)cc1C 12645429 NOQNXFNVSAOWLO-UHFFFAOYSA-N 403.467 5.006 5 40 HKBB COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409115730 GWGQTCHQJNCPSY-UHFFFAOYSA-N 412.873 5.756 5 40 HKBB COC(=O)c1c(-c2ccccc2)c2ccc3c(-c4ccccc4)cc4cccc1n4c32 4666803 YTKGCVWBPNDYMH-UHFFFAOYSA-N 401.465 6.804 5 40 HKBB CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4852723 IERVXMGGWBKVKV-DEOSSOPVSA-N 414.505 5.664 5 40 HKBB O=C(Nc1ccccc1)c1sc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 12685940 FJTHCUAWHOZHED-UHFFFAOYSA-N 422.510 5.715 5 40 HKBB CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1ccc(Cl)cc1Cl 409123749 HTTHHTMEMSIICL-UHFFFAOYSA-N 423.281 5.144 5 40 HKBB CC(=O)c1c(O)n(-c2ccc(C(C)C)cc2)c2nc(C)[n+]3c4ccccc4sc3c12 3227418 NNKQCDLTTVNHPW-UHFFFAOYSA-O 416.526 5.319 5 40 HKBB Cc1ccc(/C=C\c2cc(/C=C\c3ccc(C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5080547 UPSJIAGITQEPAG-XSYHWHKQSA-N 400.434 6.461 5 40 HKBB CC(C)c1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Br)c1 9234883 BAEBWYQXZCJHLW-UHFFFAOYSA-N 418.247 5.110 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1 408602993 ACHZMQPDERNUFU-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB COc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c3ccccc3n2)cc1 5618216 FJMPMULHFRJTOO-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB CCN(CC)c1ccc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c(=N)oc2c1 8934630 UGNUNVCFOWKBNU-UHFFFAOYSA-N 420.494 5.457 5 40 HKBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(C)c(C)c1 408561968 MEWZYSLFXWJXLY-VHXPQNKSSA-N 423.538 5.455 5 40 HKBB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccc([N+](=O)[O-])c1 989732 BTDZEKVTBOOWBQ-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N2)cc1 1506543 SVNVSLROTCBEPQ-NRFANRHFSA-N 422.282 6.035 5 40 HKBB CC[N+](C)(C)CCCCCCCCCC[N+](C)(CC)Cc1cc2ccccc2o1 4311389 FHNUTWQMXPLESD-UHFFFAOYSA-N 402.667 6.616 5 40 HKBB O=C(COC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13856545 JQDSOFHGZOWKDD-UHFFFAOYSA-N 411.797 5.080 5 40 HKBB Oc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)c1 16526077 TTXAUVPZPZXLDT-RFBIWTDZSA-N 420.493 6.801 5 40 HKBB CC(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 17088249 ZGNJCAOERARVFE-UHFFFAOYSA-N 409.467 5.105 5 40 HKBB O=[N+]([O-])c1ccc(/C=C\c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1 17249733 TXOPJXIIAAMQKX-RAXLEYEMSA-N 402.453 7.134 5 40 HKBB O=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1cc(Cl)sc1Cl 90427107 CDPXNGSJEGMPMW-UHFFFAOYSA-N 413.289 5.656 5 40 HKBB CCN1CCc2c(sc3c2C(O)=N[C@H](c2c4ccccc4cc4ccccc24)N3)C1 6654897 ZNOLDCNFPHBRBR-QHCPKHFHSA-N 413.546 5.861 5 40 HKBB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cs1 24777952 GQXUFBWUXISTMM-UHFFFAOYSA-N 403.460 5.043 5 40 HKBB CCc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)cc1 72229145 HVVFRYJRTSKLSK-CQSZACIVSA-N 401.894 5.442 5 40 HKBB CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCCC1 79189341 ZLDLOHKNMKMJRZ-UHFFFAOYSA-N 407.514 5.814 5 40 HKBB biogenic Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 226767448 GFWDYICARWCOFW-UHFFFAOYSA-N 424.796 5.158 5 40 HKBB O=C(CSc1cccc2ccccc12)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408545210 ZRQYGELHHCJFPB-UHFFFAOYSA-N 407.278 5.786 5 40 HKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2318035 XMSZKYCMPJUHQG-UHFFFAOYSA-N 411.509 5.091 5 40 HKBB COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c3c(ccc4ccccc43)n2)cc1 9239107 NCILYDWUTCKSKZ-UHFFFAOYSA-N 406.441 6.639 5 40 HKBB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 34967738 YDSHYPTWDZBZIE-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 990710 VTQVEYOPOODYOK-UHFFFAOYSA-N 410.385 5.341 5 40 HKBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1002278 GZEIGBCUUHINMJ-UHFFFAOYSA-N 424.265 5.043 5 40 HKBB CCCCC(=O)Oc1cn(C2CC2)c2nc(CCCC)n3c4ccccc4nc3c12 13238013 KYUJRVOMYUKUGZ-UHFFFAOYSA-N 404.514 5.610 5 40 HKBB O=C(COc1ccc([N+](=O)[O-])cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17092879 XIMSOGHHVQWRNX-UHFFFAOYSA-N 422.220 5.284 5 40 HKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] 72229238 ZYOSQOBWYXKILT-GFCCVEGCSA-N 408.285 5.533 5 40 HKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 3297823 OKOJIYHLACOPIE-UHFFFAOYSA-N 401.340 5.638 5 40 HKBB CCCCC(=O)Oc1cn([C@H](C)CC)c2nc(CCCC)n3c4ccccc4nc3c12 13211643 QCDIINJCXXXAEK-QGZVFWFLSA-N 420.557 6.246 5 40 HKBB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214994536 NZPLIHRHZWKHFH-RIYZIHGNSA-N 409.250 5.138 5 40 HKBB CCOc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)cc(Br)c1O 3616851 URZMYGWYRVRWBJ-UHFFFAOYSA-N 408.295 6.230 5 40 HKBB Cc1ccc([C@@H](C)Nc2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])cc1 15833893 SYHAPHIXVXFOBA-OAHLLOKOSA-N 401.426 5.188 5 40 HKBB Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1C 29812594 FYBQVMHAKSDQGL-UHFFFAOYSA-N 417.494 5.147 5 40 HKBB CCc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 72229152 DVLAHNYZOZZIGB-UHFFFAOYSA-N 401.894 5.299 5 40 HKBB CCCn1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc21 106727849 PDZYIAFVQDHYCV-NDENLUEZSA-N 421.478 5.196 5 40 HKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 824701 OIYNIULYIODNSU-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB Cc1ccc(-c2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)o2)c([N+](=O)[O-])c1 15947772 ZCQJNRBEZCADDU-YUNKPMOVSA-N 423.494 5.778 5 40 HKBB O=Cc1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 16492279 AAWVXBAIVPCDNB-UHFFFAOYSA-N 402.431 5.881 5 40 HKBB Cc1c(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cccc1[N+](=O)[O-] 38860181 NAPRMALOEPNAFP-UHFFFAOYSA-N 422.312 5.061 5 40 HKBB COc1c(OC)c2ccc(Br)c3ccc4c(Br)ccc1c4c32 85223945 JMVGDSOPCGIBLM-UHFFFAOYSA-N 420.100 6.126 5 40 HKBB O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 4180064 KHBZTQZQESNXJS-VWLOTQADSA-N 408.457 6.028 5 40 HKBB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6816743 RTAXNXFOWNNMLL-UHFFFAOYSA-N 415.449 5.737 5 40 HKBB CC1CCN(c2cc(Nc3cc(Cl)ccc3Cl)c([N+](=O)[O-])c3nonc23)CC1 9428307 CLNDUQZDBMIIGU-UHFFFAOYSA-N 422.272 5.418 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(F)c(Cl)c3)o2)c(Cl)c1 22107468 KGSCMOGMBNJTPA-UHFFFAOYSA-N 424.259 5.502 5 40 HKBB O=[N+]([O-])c1cc(Cl)c(OCc2csc(-c3ccc(Cl)cc3)n2)c(Cl)c1 89793850 TULCWYMKLNIFER-UHFFFAOYSA-N 415.685 6.258 5 40 HKBB Cc1ccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 106702633 LMUJRYLKPXLESX-APSNUPSMSA-N 423.277 5.447 5 40 HKBB COc1ccccc1[C@@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 225529563 ZAPWLYDISLNGFQ-FIOICXDGSA-N 402.450 5.021 5 40 HKBB COc1ccc(C(=O)CSc2ncnc3c2sc2nc4ccccc4cc23)cc1 35313198 OEQAZXDDWPJAKO-UHFFFAOYSA-N 417.515 5.376 5 40 HKBB COc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCCCC3)o2)c([N+](=O)[O-])c1 72193659 OARQXCDZBBWWMS-UHFFFAOYSA-N 421.453 5.106 5 40 HKBB O=[N+]([O-])c1ccc([C@@H](O)Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 100840976 LIEFKALAPHUTRD-ACOCPHQRSA-N 417.490 5.091 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Br)cc1)N2 408996069 KVDHFXXRFBKMCW-ILWGZMRPSA-N 421.294 5.828 5 40 HKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2421203 NKAJMTCJLWDILK-ZDUSSCGKSA-N 417.900 5.216 5 40 HKBB Cc1ccc(Sc2ccc(CSc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 4085090 ASOJNLKLICKAKO-UHFFFAOYSA-N 401.940 7.000 5 40 HKBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 39571634 ZYUPDLMPWAATLO-UHFFFAOYSA-N 420.796 5.006 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(OC)cc1OC 953642 YFYFFVPSJADJRG-UHFFFAOYSA-N 402.450 5.326 5 40 HKBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 10120055 LTYVBROZHJDMRY-UHFFFAOYSA-N 407.813 5.233 5 40 HKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 408555663 GZPQVUVBSFHNSB-UHFFFAOYSA-N 414.461 5.948 5 40 HKBB CCOP(=O)(OCC)[C@H](Nc1ccc(C(C)C)cc1)c1ccc([N+](=O)[O-])cc1 4045867 TUQRLCBTVICWRE-FQEVSTJZSA-N 406.419 6.095 5 40 HKBB COc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2ccc(OC)cc2)cc1 5129470 YAKOFIRDOPFJHD-UHFFFAOYSA-N 417.425 5.042 5 40 HKBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 5701857 KVXBYTMNLLQKJC-GORDUTHDSA-N 401.633 5.216 5 40 HKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 7687421 KQQWZHCZQSDHID-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 100017123 FHZDGUSPLSRXEE-QTBWBUICSA-N 406.482 5.295 5 40 HKBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222981937 FGPVVICMQTUPNB-RTWAWAEBSA-N 422.510 5.022 5 40 HKBB COc1cc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3c2[nH]c2cc(Cl)c(F)cc32)cc1Cl 261507199 GKLVJGQIEHUUDF-WPCRTTGESA-N 424.259 5.154 5 40 HKBB O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)nc1Sc1ccc(Cl)cc1 2171460 RDRUVYONYAHBNP-UHFFFAOYSA-N 409.319 6.599 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc2c(c(C(F)(F)F)n1)CCCC2 3177440 NALHQECSVLQXTP-UHFFFAOYSA-N 423.338 5.452 5 40 HKBB Cc1ccc2cc3c(N)c(C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)sc3nc2c1 899167 WJABMYMNSQGXPN-UHFFFAOYSA-N 412.858 5.154 5 40 HKBB Cc1cc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc12 5658515 QHCMFJMQMGXRRW-GFCCVEGCSA-N 401.875 5.224 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(Br)cc2)cc1 409199599 PJBVWXRUQGGMQZ-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2421202 NKAJMTCJLWDILK-CYBMUJFWSA-N 417.900 5.216 5 40 HKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C 224378673 UPRALDBOBMFAAX-UHFFFAOYSA-N 420.465 5.442 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)c(C)c1 408621102 JSQGENFKDUKUFK-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB Cc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2cc1C 1505731 QUPOWUDSZYRQPW-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 20493477 BSJQAFOFMRMTSL-UHFFFAOYSA-N 421.884 5.453 5 40 HKBB COc1cc(C(=O)NCc2cccs2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 26565916 CJZADQNAOZFXPY-UHFFFAOYSA-N 418.858 5.041 5 40 HKBB Cc1c([C@@H](C)NC(=O)CCC(=O)c2ccc3ccc4cccc5ccc2c3c45)cnn1C 72232554 IVEGUPOSNNDVRD-MRXNPFEDSA-N 423.516 5.466 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C 224378739 LWSQLPPUGOHVCW-UHFFFAOYSA-N 420.465 5.442 5 40 HKBB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)cc1 5033211 OHMJFOPLYXCJMH-UHFFFAOYSA-N 413.817 5.027 5 40 HKBB C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 8157399 PLBUXAKUHLEBOP-VIFPVBQESA-N 401.835 5.028 5 40 HKBB O=[N+]([O-])c1ccc(Sc2ccc(Cl)cn2)nc1Sc1ccc(Cl)cn1 8717098 LTQZCYBHVYCHPB-UHFFFAOYSA-N 411.295 5.389 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nc(Cl)c(Cl)c(Cl)c1Cl 95947431 DAVAQAZRIIYCTI-UHFFFAOYSA-N 416.982 5.134 5 40 HKBB CCN1c2ccccc2S[C@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 226864182 DEIRMFCAKAMICZ-QGZVFWFLSA-N 405.273 5.049 5 40 HKBB Cc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)c1 409104336 CYNQYWKJCZUCPZ-UHFFFAOYSA-N 402.479 5.443 5 40 HKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 1817484 JOSNQQOQDRGXQA-VWLOTQADSA-N 400.478 5.730 5 40 HKBB O=[N+]([O-])c1c(/C=C/c2ccccc2)nc(Nc2ccccc2)nc1Nc1ccccc1 5616681 GIZRZQBMFJXMSU-WUKNDPDISA-N 409.449 6.042 5 40 HKBB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccccc1[N+](=O)[O-] 6496544 GOSYZOQOZXNRBV-UHFFFAOYSA-N 409.401 5.809 5 40 HKBB O=[N+]([O-])c1ccc(/C=C2\CCCc3c2nn(-c2ccccc2)c3-c2ccccc2)cc1 51330408 TYJAMPXCQSPRIG-DYTRJAOYSA-N 407.473 6.324 5 40 HKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COCc1ccccc1 224752726 LILGJQBGPLVUPE-UHFFFAOYSA-N 420.465 5.271 5 40 HKBB COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2OCCC[C@H]12 409191087 ZQYYAIFPKSCWAV-UPRAQXHNSA-N 419.275 5.000 5 40 HKBB CC(C)Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 409088437 JMIXUQCZEKNTOP-UHFFFAOYSA-N 422.432 5.679 5 40 HKBB O=[N+]([O-])c1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3N2)cc1 1506538 SVNVSLROTCBEPQ-OAQYLSRUSA-N 422.282 6.035 5 40 HKBB CC(C)c1ccc([C@@H](CC(=O)c2ccc(F)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 5231198 RYLCYMBYKQPEII-HSZRJFAPSA-N 406.457 6.284 5 40 HKBB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13371635 ZIGTYRPRZHJOEE-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB O=[N+]([O-])c1ccc(SC(=C2Nc3ccccc3N2)c2nc3ccccc3[nH]2)cc1 102140450 GDLMSMFOHYAJSX-UHFFFAOYSA-N 401.451 5.427 5 40 HKBB O=C(O)c1ccc(Cl)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 20139591 LUUXYDWDBOFBTA-UHFFFAOYSA-N 411.222 5.067 5 40 HKBB COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2cccs2)cc1OC 1463195 CHPRTAOZXUPJOI-MRXNPFEDSA-N 408.479 5.322 5 40 HKBB COc1ccc(-c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)o2)cc1 3516650 LEBYOAUFVNLNFG-UHFFFAOYSA-N 416.458 5.297 5 40 HKBB CC(=O)Oc1cccc2ccc(/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)nc12 4881937 OTPHVEGTRMJXCD-CSKARUKUSA-N 414.417 5.807 5 40 HKBB Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc(SCc2c(Cl)cccc2Cl)n1 6194588 SQAMWOROYOWXOZ-UHFFFAOYSA-N 421.309 6.036 5 40 HKBB Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2cccc(Cl)c2)cc1 13512624 GEOGXPDMDMAWHU-UHFFFAOYSA-N 407.904 7.060 5 40 HKBB CCN1CCC[C@@H](NC(=O)c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2)C1 31501319 BLQZAHQMWSVYBH-HSZRJFAPSA-N 424.548 5.346 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1OC(F)F 8072054 WMLLELOPCPVQQM-ZRDIBKRKSA-N 400.337 5.108 5 40 HKBB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 8737980 XPUGVNBQUPLHJO-UHFFFAOYSA-N 410.242 5.064 5 40 HKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29508310 JWFQVMOQPNUULP-UHFFFAOYSA-N 403.369 5.308 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1Cl 224136640 BOJAEONYLGILMQ-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB C[C@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)[C@H]1C[C@H]2CC[C@H]1C2 248152185 ADUSCLBPLUYBMZ-NLEDPQRXSA-N 422.569 5.374 5 40 HKBB O=C(O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nc2ccccc2o1 211500594 SBZLJMPZNPBCNF-WQRHYEAKSA-N 408.391 5.214 5 40 HKBB Cc1ccc(SCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 218206544 MASFMXRSUVKDKE-UHFFFAOYSA-N 412.898 6.101 5 40 HKBB O=[N+]([O-])c1ccc(P(=O)(Nc2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 1870321 PXUAMLNOZOVPES-UHFFFAOYSA-N 422.208 5.944 5 40 HKBB CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2307700 IDBDDZRJMWRHSY-UHFFFAOYSA-N 411.509 5.036 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOc3cccc4ccccc34)c12 2448673 AZUUDPBTNHTUKZ-UHFFFAOYSA-N 417.512 6.668 5 40 HKBB O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccncc12 15174137 JPCYDZWFOYZMNB-UHFFFAOYSA-N 424.504 5.055 5 40 HKBB CC[C@@]12Nc3ccc([N+](=O)[O-])cc3[C@](CC)(C1=O)C(c1ccccc1)=C2c1ccccc1 104198610 DRJIZQKFRCKUNK-SVBPBHIXSA-N 424.500 6.011 5 40 HKBB COc1ccc(Cl)cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408906292 FSYKAGHUSYGQIZ-CPNJWEJPSA-N 408.841 5.436 5 40 HKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 409053587 NJBNJOKTPFFECE-UHFFFAOYSA-N 419.437 5.777 5 40 HKBB COc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 409112479 GKMVCODFVFMAKM-UHFFFAOYSA-N 418.371 6.027 5 40 HKBB CCCCOC(=O)Nc1ccc2c(c1)c1c3[nH]c(=O)c4cccn4c3ccc1n2CC 1579294 AQJYMFHCKWNPTM-UHFFFAOYSA-N 416.481 5.257 5 40 HKBB CSc1cccc2sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)nc12 12467948 NDNZZGDCJULNAG-UHFFFAOYSA-N 418.499 5.530 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Cl)=C/c2ccccc2)cc1/C=C\c1ccccc1 13406692 DYSQENXWMXGQJH-WKLWQRMESA-N 406.825 6.410 5 40 HKBB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c4ccccc4cc4ccccc34)N21 222652558 OMJMKZRTNLFTNS-PNTFMKQHSA-N 409.558 6.367 5 40 HKBB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 226767379 LHMNLPAGHDWQLO-UHFFFAOYSA-N 408.797 5.272 5 40 HKBB O=C(NCCSc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408907503 PMHURUYXAJDKSE-OQKWZONESA-N 404.491 5.044 5 40 HKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409018839 ZLYCMSIIYMGVKF-ONDHQXCVSA-N 412.467 5.009 5 40 HKBB Cc1ccccc1N[C@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2c(C)cccc21 3013209 CEDOKBKKWCYACF-MBSDFSHPSA-N 415.493 5.804 5 40 HKBB CCC(=O)Oc1cn(-c2ccc(C)c(C)c2)c2nc(CC)n3c4ccccc4nc3c12 13540294 RDVHFDMRBKNCFP-UHFFFAOYSA-N 412.493 5.321 5 40 HKBB COc1cc(/C=C/C(=O)Nc2ccnc3c2ccc2ccccc23)cc(OC)c1OC 40384306 AEWDGXZLEXSHNS-DHZHZOJOSA-N 414.461 5.066 5 40 HKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2ccc(F)cc2)c1 44087151 ZHMVEGOOCUDESQ-UHFFFAOYSA-N 405.454 5.879 5 40 HKBB Cc1c(COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cccc1[N+](=O)[O-] 60682243 CQLTWLMGFOHPIX-UHFFFAOYSA-N 410.040 5.269 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(F)c(Cl)c2)cc1 408613595 YPKZLUOQESVWOW-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccccc1 3281373 CWRCRWSSOFCGCC-NRFANRHFSA-N 402.450 5.164 5 40 HKBB CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 4850395 CBMPXRCYMAFNSK-UHFFFAOYSA-N 423.517 5.023 5 40 HKBB Cc1ccc2c(c1)-c1c(s[s+]c1SCc1ccc([N+](=O)[O-])cc1)C(C)(C)N2 5002803 GMVWYIBLFVZXSV-UHFFFAOYSA-N 415.585 6.927 5 40 HKBB CC(C)(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 9235918 BNZSLMCULYYHLT-QFIPXVFZSA-N 401.466 5.663 5 40 HKBB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc([N+](=O)[O-])cc1 6496538 PZALKRGWEXJFEK-UHFFFAOYSA-N 409.401 5.809 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)cc3Cl)c2c1 8733644 YYKKRRBIBMIKLL-UHFFFAOYSA-N 414.248 5.547 5 40 HKBB O=c1[nH]c(Nc2ccc(F)cc2)c(Sc2ccccc2[N+](=O)[O-])c2ccccc12 3196167 UTUWVBADWFUSPY-UHFFFAOYSA-N 407.426 5.470 5 40 HKBB Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1C 826985 VZPPUQGTLXTTAP-UHFFFAOYSA-N 405.841 5.231 5 40 HKBB COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 2205640 AIHHBPRNDFWRCS-UHFFFAOYSA-N 418.478 5.143 5 40 HKBB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 2372394 ZNYOMCDVJIXXKQ-UHFFFAOYSA-N 414.533 6.010 5 40 HKBB Cc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c([N+](=O)[O-])c1 17091222 BOVWMYBDURPISG-UHFFFAOYSA-N 417.676 5.498 5 40 HKBB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 409117995 MMOUWUHALQECHD-KQWNVCNZSA-N 414.461 5.471 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109863 NRYRKNGQIHXTDO-JXMROGBWSA-N 419.403 5.256 5 40 HKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699987 PCWWZSVOBNBTKJ-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 8399586 YCRQJKDBFNMUID-UHFFFAOYSA-N 417.248 5.733 5 40 HKBB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl 9885112 KFUTXZKBKYLHDJ-UHFFFAOYSA-N 414.295 5.242 5 40 HKBB O=[N+]([O-])c1cc(Oc2ccccc2)c2c(Cl)c(-c3ccc(Cl)cc3)sc2c1 15084462 YYMNERGODXNNAY-UHFFFAOYSA-N 416.285 7.576 5 40 HKBB Cc1cc(C)c([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C 223400380 DCLNNBJAPSBAEU-KXWHUPIZSA-N 414.505 5.938 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 408999538 WVIBIKIEZBNONT-BVSLBCMMSA-N 410.395 6.085 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccccc1Cl)n1c3ccccc3nc21 2433914 NFHPVPLEGSRHMG-UHFFFAOYSA-N 424.891 5.691 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3208973 RXYABHQGHJMCIF-UHFFFAOYSA-N 416.412 5.147 5 40 HKBB COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(ccc4ccccc43)n2)cc1 9239127 NRLRPELCMSIAKZ-UHFFFAOYSA-N 406.441 6.639 5 40 HKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(Oc2ccccc2)c1 32981916 DCMMQRTYFVNZOH-UHFFFAOYSA-N 417.446 5.763 5 40 HKBB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 4783882 XWKIIVDMLXYSFX-GBUWXYEFSA-N 411.527 5.577 5 40 HKBB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16046524 LDQODGHWONLKNO-NSHDSACASA-N 419.915 5.491 5 40 HKBB Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2cc4c(cc23)OCO4)cc1 20183499 UAYSGIHXDQVELB-UHFFFAOYSA-N 424.416 5.186 5 40 HKBB Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(-c2ccccc2)cc1 712445 USBOEYXHDVCVGO-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] 4601329 BLUAFIRZVMXSGR-NRFANRHFSA-N 405.841 5.240 5 40 HKBB CCOc1c(OC)cccc1-c1cnc2c3ccccc3c(=O)n3c4ccccc4c1c23 8792136 VFJAQLWWYUORKK-UHFFFAOYSA-N 420.468 5.666 5 40 HKBB biogenic Cc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C[C@@H](O)CSc1ccccc1 12372331 ICRVBBCPMFAGEF-HXUWFJFHSA-N 418.518 5.678 5 40 HKBB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(Cl)cc1[N+](=O)[O-] 12755641 LECXALLRDMWANN-UHFFFAOYSA-N 413.842 5.048 5 40 HKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 12777415 FMAAHKJKOCPPIZ-CQSZACIVSA-N 413.861 5.055 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccccc2)c(Cl)c1 16480772 QEWAFVQJZLLXBO-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 1414892 MFYHEKDVTSQAPV-UHFFFAOYSA-N 418.192 5.555 5 40 HKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2Cl)nc2ccccc12 3264931 SPGYXLPQKKXWKF-UHFFFAOYSA-N 418.836 5.820 5 40 HKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cccc4c32)c1 4970145 KUHXRZMIZABSKW-UHFFFAOYSA-N 402.360 5.427 5 40 HKBB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc([N+](=O)[O-])ccc1Cl 5119416 VHKMLGBIKCLIJQ-UHFFFAOYSA-N 410.901 5.968 5 40 HKBB Cc1nc(Nc2cccc3ccccc23)c([N+](=O)[O-])c(Nc2cccc3ccccc23)n1 16363249 CWWKZLLYDMVKAF-UHFFFAOYSA-N 421.460 6.487 5 40 HKBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214400810 PHYUPNICYPKPFL-VIZOYTHASA-N 409.250 5.138 5 40 HKBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222990707 XMMOTNYVXPEIAM-LEWJYISDSA-N 422.510 5.022 5 40 HKBB Cc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] 827811 QUGWXZAUQVDHNP-UTKZUKDTSA-N 401.466 5.495 5 40 HKBB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 5193297 PPEZDQGNJRUMRL-UHFFFAOYSA-N 415.902 5.922 5 40 HKBB CC(C)c1ccc([C@H](CC(=O)c2ccc(F)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 5231203 RYLCYMBYKQPEII-QHCPKHFHSA-N 406.457 6.284 5 40 HKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2Cl)o1 13880536 HHLVRTBAWXLEPG-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 16284484 DGNONYQNVXJYJV-UHFFFAOYSA-N 423.432 5.043 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccc(Br)cc3)c2)c1 408553614 AYYFFKWOUHRISX-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB O=C(Sc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 1688781 KZQCZYQEGGFHRW-UHFFFAOYSA-N 417.078 5.052 5 40 HKBB Cc1ccc(-c2nc(N(C)c3ccccc3)s[n+]2Cc2ccc([N+](=O)[O-])cc2)cc1 2666116 RCHRFDBHXWRURC-UHFFFAOYSA-N 417.514 5.130 5 40 HKBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(Cc1ccccc1)Cc1ccccc1 4078785 NHFJKKISDNQGOQ-UHFFFAOYSA-N 402.475 5.652 5 40 HKBB O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccccc1Br 13576056 AKQLHCGBEZCRDF-UHFFFAOYSA-N 412.214 5.100 5 40 HKBB O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c23)C(=O)N1Cc1ccccc1 95470956 CRDKBKBRBBUOCW-UHFFFAOYSA-N 424.412 5.337 5 40 HKBB CC(C)(C)c1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccc(F)cc2)c(C(C)(C)C)c1 226070757 SYRVHTFNYRRPNF-JOCHJYFZSA-N 416.601 5.437 5 40 HKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)C 408612311 VIRBIMYHPSYFJU-UHFFFAOYSA-N 409.280 5.155 5 40 HKBB Cc1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 408832060 QZVZALPKPCTSCX-UHFFFAOYSA-N 416.462 5.341 5 40 HKBB Cc1cc(Br)ccc1N1COc2ccc3c(oc(=O)c4ccccc43)c2C1 2121942 FWFJVMNVAOZTJA-UHFFFAOYSA-N 422.278 5.374 5 40 HKBB biogenic Cc1nn(C(C)(C)C)c(OC(=O)c2ccccc2[N+](=O)[O-])c1Sc1ccccc1 2718562 PRRVFVREXMVEMN-UHFFFAOYSA-N 411.483 5.225 5 40 HKBB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc([N+](=O)[O-])cc1 3241530 KULXASVZEHVMGL-UHFFFAOYSA-N 401.447 5.638 5 40 HKBB Cc1ccc2[nH]c3c(cc(N4CCCCC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 4117302 NUBDLLVJHXDMFX-UHFFFAOYSA-N 410.473 5.240 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc(C)c1 224386798 GVLJVDUTVBPQGL-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 9192374 YIYBXHYKRLQSTF-AWEZNQCLSA-N 423.494 5.495 5 40 HKBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+](C)(C)CCO[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 102476956 VZERPTZRZSESNZ-REQDVVOUSA-N 406.675 5.526 5 40 HKBB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 853566 RUESLMBVSYQJSO-UHFFFAOYSA-N 413.433 5.379 5 40 HKBB C[N+](C)(CCN(CC[N+](C)(C)Cc1ccccc1)c1ccccc1)Cc1ccccc1 5336347 JTLVMMVXHNSGMV-UHFFFAOYSA-N 417.641 5.046 5 40 HKBB O=C(c1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 4893571 SSPROFHTGINKJI-UHFFFAOYSA-N 411.255 5.204 5 40 HKBB O=[N+]([O-])c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 13301591 NTWRXHSDYIBIDT-UHFFFAOYSA-N 415.499 6.403 5 40 HKBB O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(/C=C(/Cl)c3ccccc3)cc21 13403300 NCOSLVMCDCDGJU-LDADJPATSA-N 404.809 5.159 5 40 HKBB CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408568072 HNQXXFTXEAQZGB-IBGZPJMESA-N 414.556 5.025 5 40 HKBB O=C1Nc2ccccc2S/C1=C/c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 409105737 LSXBSFNBDWJFQT-DEDYPNTBSA-N 406.488 5.831 5 40 HKBB Cc1cccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C 409110218 ULMFXSOZAIOVCE-UHFFFAOYSA-N 416.399 6.635 5 40 HKBB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1822361 ALYZJQCCXDFYMP-QRXVHFADSA-N 413.477 5.587 5 40 HKBB CCCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2225150 ZOPNMOSXPRMPNX-UHFFFAOYSA-N 406.530 5.712 5 40 HKBB CC[C@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 4663426 AHJVMUCXWPUDTK-UWSIMGETSA-N 415.493 5.823 5 40 HKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 8196708 HNSRFYGDMDMJKL-OAHLLOKOSA-N 415.449 6.169 5 40 HKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc([N+](=O)[O-])c1 102788360 YQTYNYSWMPCFQK-QHCPKHFHSA-N 419.481 5.797 5 40 HKBB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)[C@H]2O 118916280 CHCOIPAZGMXLFP-MTCCVVSYSA-N 423.553 5.273 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 34967742 VBIIJXBGYGDOFV-UHFFFAOYSA-N 410.735 5.779 5 40 HKBB Cc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 4616635 ZMGSPDHALSZGDV-UHFFFAOYSA-N 409.829 5.061 5 40 HKBB C[C@]12CC[C@H]3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4934398 HSVAEISJKGHUGC-UEOMBKFZSA-N 419.477 5.239 5 40 HKBB CCc1cc(=O)oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)cc12 11866692 HKEJSIZAQMCGDO-UHFFFAOYSA-N 413.735 5.728 5 40 HKBB Cc1noc(/C=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 33734078 KHDDQNVUONBSPU-CLFYSBASSA-N 405.237 5.947 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)c(C)c1 224623459 WTOBORNOUHZRQF-UHFFFAOYSA-N 420.465 5.442 5 40 HKBB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1295018 HUIHOZOTCUVPAF-MGPUTAFESA-N 421.884 5.840 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)cc1 2063371 IFVWMRQOIIBOLP-MDWZMJQESA-N 401.447 5.523 5 40 HKBB Cc1nc(Nc2cc(Cl)ccc2Cl)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5005145 CFPORXOQQMLBHO-UHFFFAOYSA-N 404.257 5.512 5 40 HKBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3s2)c1C 5255646 UKTOSVJCJVOKTE-UHFFFAOYSA-N 409.492 5.802 5 40 HKBB O=[N+]([O-])c1ccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 6574928 BCZBIYCPSSHALQ-YLGSBGTBSA-N 403.482 5.256 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3cccc(Cl)c3)o2)c(Cl)c1 7524839 DGDSMNKEPOVKNY-UHFFFAOYSA-N 406.269 5.363 5 40 HKBB c1ccc(COc2ccc(-c3nc4ccc5ccccc5c4c4c3CCC4)cc2)cc1 2294957 MFVJUQBNDZQGET-UHFFFAOYSA-N 401.509 7.123 5 40 HKBB Cc1cc(C(=O)OCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1[N+](=O)[O-] 5926013 LFGALOLKPOHALE-UHFFFAOYSA-N 406.221 5.827 5 40 HKBB COc1c(Cl)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl 17093769 IZRVLNATKWPXHG-UHFFFAOYSA-N 424.265 5.286 5 40 HKBB O=C(OCc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 166331916 UDXGPXWBMOKRQQ-UHFFFAOYSA-N 423.468 5.673 5 40 HKBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 222981992 FGPVVICMQTUPNB-LEWJYISDSA-N 422.510 5.022 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 408558219 QLIJOIJDMQAHSG-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1c[nH]c2ccccc12 408572194 QTZHOCYPOQCPDS-FQEVSTJZSA-N 424.859 5.948 5 40 HKBB Cc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(C)c1 409109460 FICIBXOPIUKRRQ-UHFFFAOYSA-N 416.399 6.635 5 40 HKBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccccc2Cl)no1 9087903 XGKZNDSBDVYCSG-UHFFFAOYSA-N 420.812 5.218 5 40 HKBB CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 408561098 GOJCHWBYRWXAOG-XDOYNYLZSA-N 415.902 5.102 5 40 HKBB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 408778254 RRGICAVUACZTMT-IMEWXKHHSA-N 421.478 5.017 5 40 HKBB CCCN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409233603 TURMIHFDNYLGGO-UDWIEESQSA-N 421.478 5.044 5 40 HKBB CCCCNc1ccccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 3295488 MMMANUDUGZZCCE-UHFFFAOYSA-N 401.462 5.515 5 40 HKBB COc1ccc(Nc2c3sc4cc(OC)ccc4nc-3c3ccccc3c2=O)cc1 5487732 OHONCFWXIQCPLD-UHFFFAOYSA-N 414.486 5.675 5 40 HKBB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cc([N+](=O)[O-])ccc1Cl 6480347 MMFZLGBKFXXMKZ-UHFFFAOYSA-N 402.646 5.417 5 40 HKBB Cc1cc(C)c(NC(=O)CNc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c(Cl)c1 9322949 KTXRWOPUNZGIKZ-UHFFFAOYSA-N 424.888 5.659 5 40 HKBB CCC(=O)Oc1cn(-c2ccc(Cl)cc2)c2nc(CC)n3c4ccccc4nc3c12 13540959 QKSWTLRIQRPFHQ-UHFFFAOYSA-N 418.884 5.358 5 40 HKBB Cc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C[C@H](O)CSc1ccccc1 12372330 ICRVBBCPMFAGEF-FQEVSTJZSA-N 418.518 5.678 5 40 HKBB C/C(=C\c1c2ccccc2c2sc3ccccc3n12)c1sc2ccccc2[n+]1C 42682022 CKXBOYBVXGBWPT-UHFFFAOYSA-N 411.575 6.907 5 40 HKBB Cc1c(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cccc1[N+](=O)[O-] 8902952 OYPXVLCJRTVBSV-UHFFFAOYSA-N 415.449 6.087 5 40 HKBB O=[N+]([O-])c1ccc(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 9235189 XFRGXBVRJPMYIH-UHFFFAOYSA-N 409.485 6.146 5 40 HKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccnc1SC(F)F 14084983 JURJXLVOCIUAOP-UHFFFAOYSA-N 413.401 5.013 5 40 HKBB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214908498 FLXBXTHGIJRJET-VIZOYTHASA-N 409.250 5.138 5 40 HKBB Cc1sc2nc(-c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)nc(O)c2c1C 408734169 FBJRHAOHAHQTDP-UHFFFAOYSA-N 401.831 5.502 5 40 HKBB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20140427 XPWVBQOHDGPILU-UHFFFAOYSA-N 421.192 5.112 5 40 HKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 408611556 TUSBPOZXNKIJAJ-UHFFFAOYSA-N 414.461 5.948 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1N1CCCCC1 4741161 AUKSYGBJUFAXGH-FYWRMAATSA-N 417.465 5.497 5 40 HKBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1ccc(Cl)c(Cl)c1 9491528 KNKNKOQXPQANSZ-JTQLQIEISA-N 416.692 5.014 5 40 HKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 13946112 UHHXPQIUBVWHDO-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1 16488750 QQBXYQGFTDYMKI-NRFANRHFSA-N 422.282 5.713 5 40 HKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] 20411239 LPVOMVUBIWFWBQ-UHFFFAOYSA-N 415.449 6.087 5 40 HKBB O=C(Nc1ccccc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 33780490 PBCWBMBTXHDLDZ-UHFFFAOYSA-N 401.429 5.132 5 40 HKBB Cc1ccc2c(Cl)c(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)sc2c1 39763850 HRLQAXWTRZKARR-UHFFFAOYSA-N 414.830 5.074 5 40 HKBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1OC 408998322 ISXHNJVIKZMHBM-YGOYIFOWSA-N 402.450 5.083 5 40 HKBB Cc1nn2cc(-c3ccc([N+](=O)[O-])cc3)cc2c2c(C)n(C3CCCCC3)c(C)c12 1106323 WINYRLFMGRPPOE-UHFFFAOYSA-N 402.498 6.295 5 40 HKBB Cc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5005144 XOPSUEQROKTUMY-UHFFFAOYSA-N 404.257 5.512 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)c1 9375024 NFVSMDQZVMICLV-UHFFFAOYSA-N 415.840 5.256 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)c1 2653298 UOCYNFKYSSBIPJ-UHFFFAOYSA-N 414.556 5.636 5 40 HKBB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1 13960498 YKFRMKOXHWJKFC-UHFFFAOYSA-N 415.449 5.191 5 40 HKBB CC(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 4899065 SHMOMSVDSWSCKY-CXUHLZMHSA-N 411.461 5.588 5 40 HKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 9226429 WWUKQYJMTCLBBD-UHFFFAOYSA-N 419.462 5.197 5 40 HKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCc1ccc(F)cc1 44086888 NBJDVEMTFRIBAX-UHFFFAOYSA-N 419.481 6.187 5 40 HKBB Cc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(-c5ccccc5)ccc4o3)nc12 57352717 RHLLCGDYJNHEQM-UHFFFAOYSA-N 402.435 6.065 5 40 HKBB O=[N+]([O-])c1ccccc1Oc1nc2ccccc2nc1Oc1ccccc1[N+](=O)[O-] 2171578 HUOROSFGGGRAMS-UHFFFAOYSA-N 404.338 5.031 5 40 HKBB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 2655414 DDUDDZOUKFINHF-SFHVURJKSA-N 411.501 6.302 5 40 HKBB O=C(O)c1cc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1Cl 20139595 NVBJTYBKUZIBFC-UHFFFAOYSA-N 411.222 5.067 5 40 HKBB Cc1ccc2[nH]c(=O)c(-c3c4cnn(C(C)C)c4nc4c3oc3cc(O)ccc34)cc2c1 96115547 HZRQMGGJNCAUCD-UHFFFAOYSA-N 424.460 5.434 5 40 HKBB biogenic O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 408556145 ITWDROMZYQOKFZ-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3cccc([N+](=O)[O-])c3)c2nc1C 4848525 VRWKILKVQRJSBP-UHFFFAOYSA-N 423.517 5.168 5 40 HKBB CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 6615629 XEIFKKYUTARAPD-UHFFFAOYSA-N 411.483 5.033 5 40 HKBB Cc1cccc2oc3cc(NC4CCCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 8854556 TWPWQJKIXZYTAK-UHFFFAOYSA-N 424.500 5.994 5 40 HKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 225677738 RLBPHEKMZIISOX-UHFFFAOYSA-N 418.493 5.987 5 40 HKBB CCCN1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O 408758346 YIYKTWYJQNNOQI-UHFFFAOYSA-N 409.829 5.151 5 40 HKBB CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(OCC)c(OCC)c2)c1 4965696 HNGHHWZWJGASAN-UHFFFAOYSA-N 404.488 5.147 5 40 HKBB CCc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 409099060 PVFIOQQNRVJHQL-UHFFFAOYSA-N 416.506 5.697 5 40 HKBB O=[N+]([O-])c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)cc1 754696 VSBKRJFEDNPVNO-UHFFFAOYSA-N 407.429 6.579 5 40 HKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1cccc(Cl)c1Cl)CO2 2120176 FPDGMIPQBRSTRL-UHFFFAOYSA-N 412.272 5.918 5 40 HKBB biogenic O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc(-c2cccc3ccccc23)cs1 2202377 MWPVLGBZFXDUFD-UHFFFAOYSA-N 400.415 5.645 5 40 HKBB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 12695290 CGBSNIRYNCGBKG-UHFFFAOYSA-N 424.869 5.528 5 40 HKBB Cc1c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cccc1[N+](=O)[O-] 17090954 XGOMLHFAWGLDMP-SOFGYWHQSA-N 417.248 6.122 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408557009 MLCMZSZGTJGNDF-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB CCC(=O)Nc1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409182677 NBKGMCXERWCJMG-UHFFFAOYSA-N 420.421 5.093 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 97102836 GJHVCTHXASMYQS-UHFFFAOYSA-N 418.321 5.231 5 40 HKBB CCCCN1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O 408757715 PDESVBAQVDAIBI-UHFFFAOYSA-N 423.856 5.541 5 40 HKBB CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409115572 MUUIGHRAXRYXJV-UHFFFAOYSA-N 408.454 5.193 5 40 HKBB O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1)c1ccccc1 6514589 CRFSNEVWDGDIOR-XMHGGMMESA-N 401.447 5.133 5 40 HKBB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)nc2c1 9829755 UTNIXYZIFZSFFZ-UHFFFAOYSA-N 418.478 5.063 5 40 HKBB O=C(CCc1ccc(Cl)cc1Cl)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 72295988 YKGAZGHHVYMHQW-GOSISDBHSA-N 411.310 5.108 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccccc1 224330897 QTGQVAXAKFGCRX-UHFFFAOYSA-N 408.479 5.456 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(Br)c1 950999 VACOXFICQAUBQZ-PKNBQFBNSA-N 413.227 5.269 5 40 HKBB O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccc2ccccc2c1 12437115 YJSQPHRZLQJCAM-JQIJEIRASA-N 419.440 5.618 5 40 HKBB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl 408564561 ZOVPZEUCWGZQIU-XDOYNYLZSA-N 415.902 5.156 5 40 HKBB COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1[N+](=O)[O-] 822088 RUMJUFNJZVOXDK-UHFFFAOYSA-N 419.462 5.441 5 40 HKBB COc1ccccc1OC(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] 2751235 QYUGAWWJYMEMBI-UHFFFAOYSA-N 415.854 5.627 5 40 HKBB O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 59463577 UZWLICNEHQNKGG-UHFFFAOYSA-N 401.447 5.638 5 40 HKBB Cc1nn2cc(-c3ccc([N+](=O)[O-])cc3)cc2c2c(C)n(Cc3ccccc3)c(C)c12 1106342 NZHVVQWOARFJLI-UHFFFAOYSA-N 410.477 5.838 5 40 HKBB CC1(C)C[C@@](C)(c2ccccc2)c2ccc(N)cc2N1C(=O)c1ccc([N+](=O)[O-])cc1 2288852 CUBFUPWHSJECFM-VWLOTQADSA-N 415.493 5.312 5 40 HKBB CCOc1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc1OCC 4624218 ZUQUWPUPUBAHMO-UHFFFAOYSA-N 420.512 6.914 5 40 HKBB CCN1CCC[C@H](NC(=O)c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2)C1 31501322 BLQZAHQMWSVYBH-QHCPKHFHSA-N 424.548 5.346 5 40 HKBB CCOc1ccc(C2=NN=C(c3ccc([N+](=O)[O-])cc3)c3cc(CC)ccc3N2)cc1 6844152 OJQOWRVGPKWTMP-UHFFFAOYSA-N 414.465 5.181 5 40 HKBB O=C(Nc1cccc2ccccc12)c1ccc2sc3nc4ccccc4nc3c2c1 408974471 AEYAQJYUUFXKIF-UHFFFAOYSA-N 405.482 6.403 5 40 HKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408625103 WTYXQMFGWXETOW-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 409183526 VCHCJEAJNPSGGB-NRFANRHFSA-N 409.825 5.338 5 40 HKBB O=C(Nc1cccc(Cl)c1Cl)c1cc(/C=C\c2ccc([N+](=O)[O-])cc2)on1 5567814 TXMFYKGLLMTEGL-TWGQIWQCSA-N 404.209 5.312 5 40 HKBB C[C@@]1(C(=O)Nc2ccc3sc4ccc(Cl)cc4c(=O)c3c2)CC1(Cl)Cl 15108452 ZRYSNSNXXVOISA-KRWDZBQOSA-N 412.725 5.591 5 40 HKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)ccc1[N+](=O)[O-] 20411242 XDKFUTVNYFZBJM-UHFFFAOYSA-N 415.449 6.087 5 40 HKBB CN(C)CCCNc1ccc2ccc3c(NCCCN(C)C)ccc4ccc1c2c43 1572054 ULEVXQYILLPBCH-UHFFFAOYSA-N 402.586 5.311 5 40 HKBB COc1cc2c(C(C)=O)c(C)c3c4cc(OC)c(OC)cc4c(C)cc3c2cc1OC 2118378 DLIGRHKIFRZHJS-UHFFFAOYSA-N 418.489 6.000 5 40 HKBB biogenic O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 4192865 OTLGKOCBGZPXKC-UHFFFAOYSA-N 400.356 5.384 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34706052 SBQUNFBDKDFIFO-UHFFFAOYSA-N 410.735 5.779 5 40 HKBB S=C(Nc1ccc2ccccc2c1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 38261885 HFNJIRHLXDEZGD-UHFFFAOYSA-N 419.513 6.226 5 40 HKBB O=C(Nc1ccccc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 104375178 KWCLJUPJXDQHLA-UHFFFAOYSA-N 416.444 5.523 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 408997982 PLQKKNKXOCCLRZ-COPCDDAFSA-N 421.840 5.627 5 40 HKBB O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(/C(Cl)=C\c3ccccc3)cc21 1618581 TZHAJWKTJJMASZ-WOJGMQOQSA-N 404.809 5.159 5 40 HKBB O=[N+]([O-])c1ccc([C@H](O)Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 100840977 LIEFKALAPHUTRD-PDWGEAQMSA-N 417.490 5.091 5 40 HKBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 101336326 BGYKJRKXDSQEOH-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB Cc1noc(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1-c1ccccc1 5354593 LUCQWJOKBGEMBW-UHFFFAOYSA-N 402.406 5.510 5 40 HKBB biogenic O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc2c(Cl)cccc12 17088361 HVTKUASMYMNFIW-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB CC(=O)n1c2ccccc2c2nn3c(-c4ccccc4)c(-c4ccccc4)nc3nc21 1300448 GGZFJOIOYBLHIA-UHFFFAOYSA-N 403.445 5.226 5 40 HKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)nc2ccccc12 4902483 OMKNQUQXOSFSPB-UHFFFAOYSA-N 403.825 5.716 5 40 HKBB CC(C)CC(=O)Oc1cn(CC(C)C)c2nc(CC(C)C)n3c4ccccc4nc3c12 8658220 VRRXRGHUFCOYEJ-UHFFFAOYSA-N 420.557 5.643 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccc(Cl)cc1)n1c3ccccc3nc21 9327960 UWHTWQDJPBMALA-UHFFFAOYSA-N 424.891 5.691 5 40 HKBB Cc1ccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccc(C)cc3)c2Cl)cc1 17091250 ROSXWZTVPUZXDQ-UHFFFAOYSA-N 417.896 6.444 5 40 HKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])s1 17170948 FUADWPTYTXLTOH-UHFFFAOYSA-N 421.261 5.446 5 40 HKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409015752 SBUDIHVXKNQILD-VCBXAZPMSA-N 406.847 5.343 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 2353713 YCKWUACSBAXSEK-UHFFFAOYSA-N 406.442 5.274 5 40 HKBB COc1cc([N+](=O)[O-])ccc1/N=c1\ssc2c1-c1cc(C)ccc1NC2(C)C 4599975 GMVGMNCKHRYFEE-VZCXRCSSSA-N 413.524 5.595 5 40 HKBB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 4805470 WITCCQHRPBRFFP-KKSFZXQISA-N 402.454 5.579 5 40 HKBB O=C1CCCN1Cc1ccc(-c2ccccc2CNc2ccc(F)cc2[N+](=O)[O-])cc1 25062566 FPQXBSLKUSLZQK-UHFFFAOYSA-N 419.456 5.135 5 40 HKBB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CCO[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2 4834139 VZERPTZRZSESNZ-DULFJFJWSA-N 406.675 5.526 5 40 HKBB C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 8426591 VZRKBVLWEDBLTH-JTHBVZDNSA-N 419.868 5.665 5 40 HKBB Cc1cc2nc(/C=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)sc2cc1C 14361339 PVSUZKYVCXSXLZ-FNORWQNLSA-N 420.519 5.933 5 40 HKBB O=[N+]([O-])c1ccc(/C(=C/c2ccc(-c3ccccc3)o2)S(=O)(=O)c2ccccc2)o1 17106452 KWZOPORMPIBRFR-QNGOZBTKSA-N 421.430 5.420 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(C)c1 224389297 BYZMUFUHSMSFNO-UHFFFAOYSA-N 420.465 5.442 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccccc2Cl)cc1 409181321 BCBCFOZWJJBMTP-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2c(c1)Cc1cc(F)ccc1-2 1717015 LAZLCUZAIQCPJW-UHFFFAOYSA-N 405.428 5.214 5 40 HKBB O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c2ccncc12 6785847 VDXGKRKACCTOAM-LJQANCHMSA-N 414.490 5.930 5 40 HKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1 22635057 PAXGCLVHXYMVGB-ADLMAVQZSA-N 415.515 5.332 5 40 HKBB CN1CCC2(CC1)C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O2 32679043 RSLBDBNEKOMOOK-QGZVFWFLSA-N 421.419 5.014 5 40 HKBB O=C(NCCOc1ccc(Cl)cc1)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408717898 XOSVZBHQTRAMKZ-UHFFFAOYSA-N 420.796 5.148 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408996075 KVXIPELSYJJADM-KGPYPHOUSA-N 418.496 6.318 5 40 HKBB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409012794 KUBOFJHKRSTMEI-ONDHQXCVSA-N 412.467 5.009 5 40 HKBB CCCCCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 2083880 DCVMLAITSUBDMJ-LJQANCHMSA-N 423.498 5.232 5 40 HKBB Cc1c(OCC(=O)c2c(C)n(C)c3ccccc23)ccc2c1oc(=O)c1ccccc12 2094302 RXURFIDIPDUOHN-UHFFFAOYSA-N 411.457 5.316 5 40 HKBB biogenic CCCCCCC(=O)Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)CCCCCC 5727992 QMQYENZGRBWABZ-UHFFFAOYSA-N 419.547 6.144 5 40 HKBB O=[N+]([O-])c1ccc(-c2cc(-n3c(=S)[nH]c4ccccc43)n(-c3ccccc3)n2)cc1 6820923 NMMYVXPQHRPWNT-UHFFFAOYSA-N 413.462 5.449 5 40 HKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 10187575 JMAJYKCCXHJOFX-UHFFFAOYSA-N 424.869 5.100 5 40 HKBB O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1F 691691 DLWWXNCKLDCKBJ-UHFFFAOYSA-N 414.465 5.201 5 40 HKBB Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 830101 FHGIYKZDHZKFAJ-UHFFFAOYSA-N 414.417 5.237 5 40 HKBB biogenic,in-vitro C[C@H](NC(=O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)c1ccccc1 6624577 NCBOIJINNMUGHN-INIZCTEOSA-N 417.468 5.083 5 40 HKBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 17089389 MXQIYCDOGQHERR-JXMROGBWSA-N 412.829 5.477 5 40 HKBB Cc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 409115465 JFROFKMKGCOBSD-UHFFFAOYSA-N 416.399 6.635 5 40 HKBB Cc1c(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cccc1[N+](=O)[O-] 20610545 QXVCLSXKRJZALZ-UHFFFAOYSA-N 415.453 5.013 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408609901 PJDZXUPAAOTLCM-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 408997026 FZZOFFSHMQTBCV-QGZVFWFLSA-N 407.477 5.286 5 40 HKBB Clc1ccc2c(c1)c(-c1ccccc1)nc1c3ccccc3c(-c3ccccc3)n21 1752009 GGOAUYMYWDAXMZ-UHFFFAOYSA-N 404.900 7.628 5 40 HKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2409889 MKOGVBBRNOLAKM-CQSZACIVSA-N 417.900 5.216 5 40 HKBB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 6221163 AMBICIPLRRIJAA-UHFFFAOYSA-N 403.221 5.946 5 40 HKBB O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Sc1ccc(Cl)cc1 18143826 SXJQTJLPIXCEAP-UHFFFAOYSA-N 408.866 5.908 5 40 HKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccc(C)cc3)[nH]c3ccccc23)cc1OC 939127 CBXYSELUFFUTQX-FQEVSTJZSA-N 416.477 5.569 5 40 HKBB O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4832825 WOJRKZXBFSXAPW-UHFFFAOYSA-N 408.523 5.901 5 40 HKBB Cc1noc(C[C@H](CC(=O)c2ccc(F)cc2)c2ccccc2Cl)c1[N+](=O)[O-] 19872745 MJKRWKVOGJBWPN-AWEZNQCLSA-N 402.809 5.283 5 40 HKBB O=C(O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1Cc3ccccc3[C@@H]21 408993464 DEXLCALDBKXAFA-RCZSKKKRSA-N 420.852 5.417 5 40 HKBB C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)Nc1ccccc1F 4246551 QJJLKJRHQTVQHZ-CQSZACIVSA-N 416.481 5.294 5 40 HKBB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4268013 GVEOKNKITDPYEX-UHFFFAOYSA-N 415.405 5.154 5 40 HKBB CC1=CC(C)(C)N(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c2ccccc21 4828660 PDBJFHMDKVEYDP-UHFFFAOYSA-N 412.898 6.305 5 40 HKBB CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 4969998 INIIBANTWJWARC-UHFFFAOYSA-N 408.461 6.020 5 40 HKBB O=C(c1ccccc1)c1ccc(Sc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 6864020 SYSVNAAYIVUDHQ-UHFFFAOYSA-N 404.274 6.284 5 40 HKBB O=[N+]([O-])c1ccc(CSCCCCCCSCc2ccc([N+](=O)[O-])cc2)cc1 16401859 MHMKQXHPROYDDK-UHFFFAOYSA-N 420.556 6.230 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc2c(c1)OCCO2 940234 DIFUYJONLYHRCI-UHFFFAOYSA-N 400.434 5.080 5 40 HKBB Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3[N+](=O)[O-])nc2c1C 9829751 NTFSYMNZLUNXEJ-UHFFFAOYSA-N 418.478 5.063 5 40 HKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 408560280 YKTQTBPCAOHCOO-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=C(NCc1cccc2ccccc12)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408622437 QDYMHJFXGFRVFZ-UHFFFAOYSA-N 406.825 5.591 5 40 HKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(OCc2ccccc2)c1 17083154 QQGPLNGPUFLPQT-UHFFFAOYSA-N 405.435 5.036 5 40 HKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC1CCCC1 225538189 BFODYBIYHTUCOF-UHFFFAOYSA-N 422.525 6.065 5 40 HKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)c1 826451 HJAJGPYMULXKDJ-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB COc1ccccc1-c1c(C)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O 1463872 HLVCGAVGNPWXEU-UHFFFAOYSA-N 417.417 5.264 5 40 HKBB biogenic O=c1cc(-c2ccccc2)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2o1 1799814 HGDDVHCTMOQZCW-UHFFFAOYSA-N 404.334 5.069 5 40 HKBB O=c1cc(CSc2nc(-c3ccccc3F)n[nH]2)c2c(ccc3ccccc32)o1 4878513 BPBJPLBXLDHFAH-UHFFFAOYSA-N 403.438 5.163 5 40 HKBB O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1sc2ccccc2c1Cl 5379517 BGVICUIRSDSPGR-UHFFFAOYSA-N 401.658 6.022 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 9425528 ABCCDAZLNBOROR-UHFFFAOYSA-N 420.035 5.317 5 40 HKBB COc1ccccc1/N=c1\oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2[nH]1 100290443 SCAREMYRAUTYBK-RWEWTDSWSA-N 412.405 5.125 5 40 HKBB C[C@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)[C@H]1C[C@@H]2CC[C@@H]1C2 101441127 ADUSCLBPLUYBMZ-DXZKVOSOSA-N 422.569 5.374 5 40 HKBB COc1cc(O)c2c(=O)c3cc4c(c(O)c3oc2c1CC=C(C)C)OC(C)(C)C=C4 14613745 OCYZJBDJUYIHMM-UHFFFAOYSA-N 408.450 5.059 5 40 HKBB biogenic,in-vitro Cc1cc(OCCSCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1C(C)C 58006648 JYFKYZPEYKSUCW-UHFFFAOYSA-N 403.500 5.205 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363648 RVRWEGCGLFXSDG-DHZHZOJOSA-N 408.866 6.091 5 40 HKBB COc1ccc(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)cc1Br 1745565 IZHJKSCRFGLQFJ-UHFFFAOYSA-N 408.251 5.524 5 40 HKBB CCOc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 6657186 HRLOAWCRIIGDBM-UHFFFAOYSA-N 409.423 5.116 5 40 HKBB CCCCSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 1756970 XFESDZPCJVDXOT-UHFFFAOYSA-N 411.600 5.782 5 40 HKBB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 4189692 XMVKAEUBBOWCNE-UHFFFAOYSA-N 419.481 5.334 5 40 HKBB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1cc([N+](=O)[O-])cs1 16491933 YTQMGXOFSGFHPF-UHFFFAOYSA-N 421.503 5.688 5 40 HKBB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc([N+](=O)[O-])ccc1Cl 1753699 PBZLFOYRQUZTGC-UHFFFAOYSA-N 412.232 5.268 5 40 HKBB COc1ccc(C(=O)Nc2oc3cc4ccccc4cc3c(=O)c2-c2ccccc2)cc1 8836278 KSGXFTPRIZQBSM-UHFFFAOYSA-N 421.452 5.874 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 28355685 CAFMLKLSMDKPAE-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB O=C(Nc1ccccc1N1CCCC1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315719 GRMCBLUBWDRWAD-UHFFFAOYSA-N 401.875 5.315 5 40 HKBB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229530 XQDDCPRHLUTJJT-UHFFFAOYSA-N 403.649 5.351 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)cc1 224469892 IRYAKITWYHQJBF-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc([N+](=O)[O-])c1 408623973 WADUOIGMQBATER-FNORWQNLSA-N 403.221 5.814 5 40 HKBB CC1CCN(c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)CC1 10372873 BWRBBHARRANCKG-UHFFFAOYSA-N 407.514 5.282 5 40 HKBB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118925426 PHBJORRJHSVXIA-VANMJNHGSA-N 400.671 6.233 5 40 HKBB CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)C1 4042445 GOEOGIUQQGWDHE-HOYKHHGWSA-N 402.498 5.610 5 40 HKBB O=C(NC(=S)Nc1cccc2ccccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 34895491 VCYANEDJPPQIOO-UHFFFAOYSA-N 417.446 5.135 5 40 HKBB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409117964 MHLAXDFNZGIGHV-UHFFFAOYSA-N 406.482 5.747 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(N2CCCC2)cc1 1778767 PCMSWSAIPGEFHH-UHFFFAOYSA-N 411.505 5.909 5 40 HKBB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc([N+](=O)[O-])cc1 408527666 GXHJJPWQWDQWRW-UHFFFAOYSA-N 413.389 5.063 5 40 HKBB COc1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)o2)c([N+](=O)[O-])c1 408735276 PLSMFQNPVCGWHE-UHFFFAOYSA-N 423.450 5.120 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1sccc1Oc1ccc([N+](=O)[O-])cc1 3125652 VEJRZWZDSWOJQU-UHFFFAOYSA-N 408.357 5.720 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(F)c(F)c1)O2 5111468 CVPXFFKFKSORAW-RBBKRZOGSA-N 407.376 5.115 5 40 HKBB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] 9190295 HYFMJGBCYSMKSA-UHFFFAOYSA-N 406.829 5.352 5 40 HKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 678130 FIDQTATUDKWGID-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 990712 UJCOJUZPGZBGON-UHFFFAOYSA-N 410.385 5.341 5 40 HKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)sc2c1 2025601 RFPVPARZQJMJRE-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 4414429 OYDGCFCWZCCFAH-VWLOTQADSA-N 409.441 5.995 5 40 HKBB C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 7107573 UYGOVMCOVYFVBO-QMMMGPOBSA-N 406.332 5.011 5 40 HKBB CC1=Nc2ccccc2N=C(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 9282025 YWVICULRUUJUKB-LXGWOEDASA-N 424.460 5.344 5 40 HKBB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1 22027521 FXKSTPWYLLKAGJ-KRWDZBQOSA-N 418.236 5.055 5 40 HKBB CCc1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229126 HRYLMZFDEZSPNG-UHFFFAOYSA-N 401.894 5.808 5 40 HKBB Oc1ccc2c(c1)oc1c(-c3ccco3)c3c(O)nn(C4CCCCCCC4)c3nc12 79483064 FSSILQAGZBJYRT-UHFFFAOYSA-N 417.465 6.287 5 40 HKBB CCCCOC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409199093 AZSNECRHZBPBEO-KGENOOAVSA-N 419.502 5.373 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3cccc(C(F)(F)F)c3)c2c1 1389416 DOSRAEYBTIBARX-UHFFFAOYSA-N 413.355 5.259 5 40 HKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2sccc2[C@@H]1c1cccs1 12986066 FWKFBLTVVBWILS-QGZVFWFLSA-N 404.900 5.159 5 40 HKBB Cc1noc(/C=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1[N+](=O)[O-] 408545301 XNDNHLJHSUXJRP-QBFSEMIESA-N 420.852 6.447 5 40 HKBB CCCCN1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O 408991378 NPKKTGLZBVRDCM-UHFFFAOYSA-N 423.856 5.541 5 40 HKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 409113511 GOLBWDPNTFRAGJ-UHFFFAOYSA-N 422.344 5.130 5 40 HKBB CCOc1ccc([C@H](Cc2cc(Cl)cc(Cl)c2O)[N+](=O)[O-])cc1OCC 1089548 OKTVLTBEVCFKJH-HNNXBMFYSA-N 400.258 5.057 5 40 HKBB O=[N+]([O-])c1ccc(CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 2395537 WKMAHXKHESMZKF-UHFFFAOYSA-N 413.911 6.212 5 40 HKBB CC1CCN(c2cc(NC(=O)c3ccc(C(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229151 QKYFJYHKAHVYKC-UHFFFAOYSA-N 415.921 5.860 5 40 HKBB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C 257348829 JFVDCZHPKBHYJV-BTOKQOHLSA-N 417.678 7.753 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1Br 951005 CAMQQIGINDFRFC-ZRDIBKRKSA-N 413.227 5.269 5 40 HKBB C[N+](C)(CCCCCCCCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 5065286 HNSDTJBODLSSNM-UHFFFAOYSA-N 410.690 6.660 5 40 HKBB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])N(c2ccccc2)C3=O)cc1 17248096 UXWCEHZUQQWSKU-HSZRJFAPSA-N 410.433 5.043 5 40 HKBB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cccc([N+](=O)[O-])c1 848276 GWUYZEFDOOSMPZ-UHFFFAOYSA-N 408.266 5.201 5 40 HKBB S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 38207604 XFNFCWNTPAFZFN-QGZVFWFLSA-N 423.545 5.451 5 40 HKBB CC(C)c1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C(C)C)cc1 79483688 UUENKSIYIHTLCD-UHFFFAOYSA-N 401.466 6.113 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100874050 TVWVSNIBSNCZTL-APSNUPSMSA-N 423.768 5.634 5 40 HKBB CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 408562465 PUXIRHIGJSRZHY-VHXPQNKSSA-N 423.538 5.455 5 40 HKBB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 34967737 DRDPCXVZWWBUHC-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313278 QMJJQXPRFPIJMK-UHFFFAOYSA-N 412.210 5.277 5 40 HKBB Cc1c(O)ccc2c1oc1c(-c3cccc4cccnc34)c3cnn(C(C)C)c3nc12 96116270 CTSJCBIUBSDDRK-UHFFFAOYSA-N 408.461 6.141 5 40 HKBB biogenic O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2Cc2nc(-c3ccccc3)no2)cc1 27987060 OOYLHWIDZURWLB-UHFFFAOYSA-N 423.432 5.088 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc3c(-c4cc(F)c(F)c(F)c4)noc3c2)cc1 32074997 BZMUHZJYPULVMT-UHFFFAOYSA-N 400.312 5.399 5 40 HKBB O=C(OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 3105629 QXBJLUWKGMIZJV-UHFFFAOYSA-N 418.232 6.051 5 40 HKBB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)o1 5071796 LCOFVFSEVLSQHY-WIYYLYMNSA-N 409.829 5.392 5 40 HKBB CCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538375 IXSKRCIIRQDYFF-UHFFFAOYSA-N 410.514 5.841 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(C(=O)OC)cc1 706917 QKWQXRCUPYSUFN-UHFFFAOYSA-N 400.434 5.095 5 40 HKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1Cl 2344719 KVJIFOKOXWAXDA-ZDUSSCGKSA-N 417.900 5.216 5 40 HKBB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])s1 101420771 BGJGURXWXPSEAJ-HXUWFJFHSA-N 411.483 5.469 5 40 HKBB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 222712213 JQDGKLMCTYOLJR-SZFUDVHCSA-N 420.494 5.229 5 40 HKBB C[C@H]1CCCN(c2cc(Nc3cccc(Cl)c3Cl)c([N+](=O)[O-])c3nonc23)C1 9075908 AAPBMBXDSMXEHW-JTQLQIEISA-N 422.272 5.418 5 40 HKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 17092820 BOUUGEDNWLGTHW-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(OCC)cc1 408835083 WAGMRTGQOXYRJH-UHFFFAOYSA-N 411.483 5.322 5 40 HKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc2ccccc2cc1O 409178165 FEFCCDCNIWGCGF-UHFFFAOYSA-N 415.401 5.603 5 40 HKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SCc1ccccc1 44086886 ULUVQOWAHWUUAL-UHFFFAOYSA-N 401.491 6.048 5 40 HKBB O[C@H](COc1ccc(-c2ccccc2)cc1)C[N+]1(Cc2ccc(F)cc2)CCCC1 226072182 XBNRZTPWWMUREY-VWLOTQADSA-N 406.521 5.043 5 40 HKBB Cc1ccc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)sc2c1 2027762 PBSQKWVNUFEYMS-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+]2(C)CCCCCC2)c(C(C)(C)C)c1 226070216 JLLIASCLOPZTCI-JOCHJYFZSA-N 420.658 5.059 5 40 HKBB CC(C)n1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 408918083 FWFCIQVHLOYGCG-RGVLZGJSSA-N 421.478 5.367 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]31N2 13510988 BTGZMYYPTSGPIQ-QSEAXJEQSA-N 423.516 6.552 5 40 HKBB CCN(CC)CCNC(=O)c1ccc(Nc2ccnc3cc4ccccc4cc23)cc1 35183257 ISHRVDFFILRBLY-UHFFFAOYSA-N 412.537 5.203 5 40 HKBB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 57313094 IMLZESWSAQEOES-ZRDIBKRKSA-N 419.462 5.733 5 40 HKBB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 108252614 HFSBSVURXDACDS-CQSZACIVSA-N 423.494 5.495 5 40 HKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)cc1 3317963 PMRHUYURSMHDSB-UHFFFAOYSA-N 410.495 6.389 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 7653540 DVDQEPZMMAZTDK-UHFFFAOYSA-N 403.872 5.805 5 40 HKBB CN(c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1)C1CCCCC1 59489916 YQZRIHIGEUYKLL-XMMPIXPASA-N 409.530 5.285 5 40 HKBB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1 3307982 KRITZMZCTBPMRJ-CCEZHUSRSA-N 410.433 5.099 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1C 6033457 FLQPMTUWJBSODZ-UHFFFAOYSA-N 417.421 5.037 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1sc2cc(Cl)ccc2c1Cl 8377628 STOKGUCWIOXBHX-UHFFFAOYSA-N 401.658 6.022 5 40 HKBB CC(C)N1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 32115713 YFAWTJPMIMLTGZ-JAIQZWGSSA-N 421.478 5.043 5 40 HKBB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 97102863 MTTCIXWPZOOXGH-UHFFFAOYSA-N 400.331 5.092 5 40 HKBB CCc1ccccc1NCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409109871 NAKPRKHFFRAVST-UHFFFAOYSA-N 416.399 6.580 5 40 HKBB CCCCCOc1ccccc1Cn1c2ccc(C)cc2c2nc3ccccc3nc21 2203583 JMLACSMLNDHDAA-UHFFFAOYSA-N 409.533 6.663 5 40 HKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n([C@H](C)CC)c(CC)nc21 5030685 RPPJMVFKWXZSSC-MRXNPFEDSA-N 405.546 5.408 5 40 HKBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254606 KXXSFGYSTSRSGW-UHFFFAOYSA-N 422.268 5.154 5 40 HKBB 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@H]3[N+](=O)[O-] 118923770 UQWCJXNIONKBDI-YMABTKLLSA-N 417.678 7.753 5 40 HKBB COc1ccccc1/N=c1/oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1 3037271 LWDGMHNWYCLSFJ-KDJFERLWSA-N 417.468 6.370 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1[N]N(c1ccccc1)c1ccccc1 100933031 UJEYFFZQIKOMBG-UHFFFAOYSA-N 417.323 5.511 5 40 HKBB CCOc1ccc([C@@H](Cc2cc(Cl)cc(Cl)c2O)[N+](=O)[O-])cc1OCC 1089547 OKTVLTBEVCFKJH-OAHLLOKOSA-N 400.258 5.057 5 40 HKBB Cc1cccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1 106708300 JAEXRQLTIYFCGU-APSNUPSMSA-N 423.277 5.447 5 40 HKBB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])s4)n3)oc12 10749595 HBNBNIXOVXRIRW-UHFFFAOYSA-N 415.452 5.177 5 40 HKBB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 20451283 VRXSNMSHLXOILL-UHFFFAOYSA-N 416.477 5.305 5 40 HKBB O=[N+]([O-])c1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1 4709774 DJTZIAJMJBLZNZ-OAQYLSRUSA-N 402.479 5.143 5 40 HKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 5249610 KECGORMLLOGTKO-INIZCTEOSA-N 411.509 5.378 5 40 HKBB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 9829754 XYIFASYUHKSSHY-UHFFFAOYSA-N 418.478 5.063 5 40 HKBB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1[N+](=O)[O-] 9934626 VKGJQTAIGVQUSO-UHFFFAOYSA-N 412.232 5.268 5 40 HKBB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 214594071 JNXYRLYKMFUUFA-UDWIEESQSA-N 420.446 5.400 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)c1 408555569 HFZNISRYZTXPBT-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB CC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1-c1ccccc1 9434080 SDNUZNFDYBCFQB-UHFFFAOYSA-N 423.475 5.388 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 10128839 WZAXYWKVVLDOSK-VAWYXSNFSA-N 412.401 5.020 5 40 HKBB COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2-c2ccc(OC)cc2)cc1 845968 SWTKVGLFJSMVCB-UHFFFAOYSA-N 417.421 5.042 5 40 HKBB Cc1ccc2cc3c(nc2c1)sc1c(S[C@H]2Cc4ccccc4C2=O)ncnc13 1327869 DLUXUXAXHOLMAV-SFHVURJKSA-N 413.527 5.601 5 40 HKBB O=C(CSc1nc(-c2cccs2)cn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 2629368 AUDQKODKXXKWBL-UHFFFAOYSA-N 421.503 5.484 5 40 HKBB CCCCC[C@@](CCCC)(CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C 5732805 UGAYQDSAGROYBE-QFIPXVFZSA-N 422.522 6.463 5 40 HKBB Cc1nn(-c2ccccc2)c2c1[C@H](c1cc([N+](=O)[O-])ccc1Cl)SCC(O)=N2 44900747 ANUUBXLOMQPYJN-SFHVURJKSA-N 414.874 5.167 5 40 HKBB O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 408612495 WFXCOCLAWBVHOD-UHFFFAOYSA-N 402.425 6.078 5 40 HKBB CCOc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(C)c2[N+](=O)[O-])cc1 4457704 VNZFCRHQUJLTGA-UHFFFAOYSA-N 413.865 5.541 5 40 HKBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(F)c3)o2)c([N+](=O)[O-])c1 21576329 GPCRFDLMPHOSHU-UHFFFAOYSA-N 423.444 5.545 5 40 HKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 677020 LTJBGRKGQLYJGV-UHFFFAOYSA-N 415.449 5.889 5 40 HKBB O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1cc2cc(Cl)ccc2o1 9668225 CBAMWZTURCMQEV-UHFFFAOYSA-N 413.842 5.294 5 40 HKBB COc1c(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc2ccccc2c1Br 17090192 ZKMXSOVGBMIFPZ-UHFFFAOYSA-N 415.243 5.080 5 40 HKBB O=[N+]([O-])c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccncc12 8150685 KXPYKZYNSQFDBQ-UHFFFAOYSA-N 400.478 6.403 5 40 HKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 408567061 GFIYGTYQJLPSNG-KRWDZBQOSA-N 423.325 5.301 5 40 HKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc(C(=O)OC)c1 706916 BWCAPDVZAVXNQI-UHFFFAOYSA-N 400.434 5.095 5 40 HKBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2C1CCCCC1 2400715 DWIQXAACAHLZNG-UHFFFAOYSA-N 403.530 5.154 5 40 HKBB O=[N+]([O-])c1ccc(Oc2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 4491494 HSRRJCHODPNTAD-UHFFFAOYSA-N 404.338 5.012 5 40 HKBB COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1OCc1ccc(Cl)cc1 108064941 OAOLELGLLNKCDO-FLIBITNWSA-N 400.818 5.303 5 40 HKBB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 225860225 UGLJNNSPHBNPKS-UHFFFAOYSA-N 419.481 5.381 5 40 HKBB O=[N+]([O-])c1ccc(-c2csc(=NCc3ccccc3)n2Cc2ccccc2)cc1 584905936 NTSIICWSUCLSHE-UHFFFAOYSA-N 401.491 5.274 5 40 HKBB CCCC[C@H](CC)Cn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 2341499 GFSCYTFIZGAEGF-KRWDZBQOSA-N 420.557 5.931 5 40 HKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 17085948 JTNNQTDOTUBVOU-DIFFPNOSSA-N 419.934 5.315 5 40 HKBB Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 63473566 KFTCENQLKCBVSL-UHFFFAOYSA-N 417.396 5.617 5 40 HKBB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(C)c([N+](=O)[O-])c5)(C4)C2)C3)cc1 103129400 ZZNRNFNKMHSHQY-WWVRUBFXSA-N 404.510 5.688 5 40 HKBB COc1ccc(/N=c2\cc(-c3ccc(N(C)C)c([N+](=O)[O-])c3)oc3ccccc23)cc1 105978522 LWYUXERGXHZWNF-LKUDQCMESA-N 415.449 5.315 5 40 HKBB S=C(Nc1cccc(Br)c1)Nc1cc2ncccc2c2cccnc12 408975282 LULJSYPSSNPRDS-UHFFFAOYSA-N 409.312 5.354 5 40 HKBB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1465771 IYIKPVZKLIYGRB-UHFFFAOYSA-N 416.842 5.016 5 40 HKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 4783877 XWKIIVDMLXYSFX-KITMXDFVSA-N 411.527 5.577 5 40 HKBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 5703331 GPJIFGAJDQUFDV-FMIVXFBMSA-N 415.405 5.064 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]31N2 4733123 BTGZMYYPTSGPIQ-QHWMMSMNSA-N 423.516 6.552 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cc(C)cc(C)c1 224535067 LBEVBTZIOSBXIB-UHFFFAOYSA-N 420.465 5.442 5 40 HKBB Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1-c1ccc(Cl)cc1 409088927 LDPYGSYEYRGUJH-UHFFFAOYSA-N 414.796 5.307 5 40 HKBB CC(C)C(=O)Oc1cn(C2CCCCC2)c2nc(C(C)C)n3c4ccccc4nc3c12 8469232 MMHUHAKRRKGMAG-UHFFFAOYSA-N 418.541 6.027 5 40 HKBB Cc1cc(Br)c(-c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])o2)cc1C 679229 RJKFNPMGNIMMKU-FNORWQNLSA-N 403.232 5.701 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccc(C(C)(C)C)cc3)c12 2379803 STMXEGOCEFLCLU-UHFFFAOYSA-N 423.560 6.813 5 40 HKBB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)c2C)cc1 24773150 KGKQODMAYMNTQB-JXOMPUQVSA-N 419.481 5.082 5 40 HKBB Cc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 409178683 NVTSVABQMWZCEA-NRFANRHFSA-N 409.825 5.338 5 40 HKBB C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4934396 HSVAEISJKGHUGC-KXEAFHOWSA-N 419.477 5.239 5 40 HKBB COc1cccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)c1 72229569 FKFSCRCSVBVYQC-UHFFFAOYSA-N 403.866 5.254 5 40 HKBB CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCCCC2 2738673 BGHZIRUEORAGRB-UHFFFAOYSA-N 416.499 5.053 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1-c1nc2ccccc2s1 3107707 QBFLEDUQZBRVBW-OUKQBFOZSA-N 401.447 5.523 5 40 HKBB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1Cl 20241926 YHKBXJVWNHRQGX-UHFFFAOYSA-N 410.901 5.968 5 40 HKBB CC(C)c1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)cc1 72229146 BOKNYETYYGINGJ-OAHLLOKOSA-N 415.921 6.003 5 40 HKBB O=c1c2ccccc2c2nccc3c4cc(OCc5ccc([N+](=O)[O-])cc5)ccc4n1c32 8743362 LFPGPYJWDNCZIK-UHFFFAOYSA-N 421.412 5.079 5 40 HKBB biogenic O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc([N+](=O)[O-])cc1Cl 6342620 FYKOWSSGQOAEMN-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB CC1CCN(C(=S)c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)CC1 6777559 NGQPZEIRRZDHSW-UHFFFAOYSA-N 404.919 5.235 5 40 HKBB C[C@H]1C/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1 8489356 ZFGYZNGPTNRHMP-GVIGZQTCSA-N 408.841 5.618 5 40 HKBB O=C(Nc1cccc(Cl)c1)OCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F 8892443 BSPYAFJTRQVXOX-UHFFFAOYSA-N 417.771 5.318 5 40 HKBB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106739276 BWBIXVSVSOEKBB-YQNUULROSA-N 412.467 5.009 5 40 HKBB O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108986014 XWJSNRXEHNEQPE-UHFFFAOYSA-N 417.446 5.135 5 40 HKBB Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 409110103 RIFSBTXHZXEQJL-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 669645 BIDJTONCWAFAIN-XBXARRHUSA-N 420.277 5.677 5 40 HKBB O=C(NC1CCCCC1)N(c1ccccc1)c1nnc(-c2cccc([N+](=O)[O-])c2)s1 1572394 JTYMLOMKQQLUFR-UHFFFAOYSA-N 423.498 5.294 5 40 HKBB COc1ccc(C(=O)OCC[C@@H](Nc2ccc(C)cc2)c2ccccc2)cc1[N+](=O)[O-] 5688311 JDUPKIXNGPYELC-OAQYLSRUSA-N 420.465 5.312 5 40 HKBB O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccc(Cl)cc1Cl 6660537 WXMKVNDZYMKAOG-UHFFFAOYSA-N 402.208 5.644 5 40 HKBB O=[N+]([O-])c1ccc(/C=C(\Cl)c2ncc(-c3ccccc3Br)o2)cc1 98056013 JOKCQNGYTGLPNN-DHDCSXOGSA-N 405.635 5.749 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C 224375929 IPIUFURYLAQVOI-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB O=C(O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 408994800 JGBMMXFLEOMNQC-WVJGBFKCSA-N 419.524 6.988 5 40 HKBB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc([N+](=O)[O-])cc1 4071289 CRLWPQGHCRRSEU-UHFFFAOYSA-N 400.268 5.339 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 59459244 LJXHRASURKDIQG-UHFFFAOYSA-N 416.355 5.445 5 40 HKBB CCCCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 2083881 DCVMLAITSUBDMJ-IBGZPJMESA-N 423.498 5.232 5 40 HKBB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 35672319 RHTJTNRJOOPHMJ-UHFFFAOYSA-N 405.332 5.138 5 40 HKBB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 98044296 PBMVYDNBOIVHBO-CGRWFSSPSA-N 424.585 7.679 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408606534 ILQDFFIRIWARJZ-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12 2708492 BSABZSQBCDKBDP-SFHVURJKSA-N 411.288 6.550 5 40 HKBB Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)ccc1[N+](=O)[O-] 11897570 CVYZELQGWAZPFL-KRWDZBQOSA-N 414.465 5.075 5 40 HKBB CC1(C)C[C@@H]2C[C@](C)(CN2c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)C1 100278063 GOEOGIUQQGWDHE-KOSHJBKYSA-N 402.498 5.610 5 40 HKBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl 214712990 AUUGZMVWXIPRDU-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB Cc1ccc(C2=N[C@]3(c4ccc([N+](=O)[O-])cc4)Sc4ccccc4N(C)C3=N2)cc1 256055815 VIPJKHFQJOWLLX-HSZRJFAPSA-N 414.490 5.157 5 40 HKBB O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 408555585 HHIUHCMFZWLWGK-UHFFFAOYSA-N 418.880 6.593 5 40 HKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc3ccccc23)cc1C 408569163 JAHKTYFINXUZGF-QFIPXVFZSA-N 418.522 5.456 5 40 HKBB CCCN1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O 408756049 HEERDEUARRERLQ-UHFFFAOYSA-N 409.829 5.151 5 40 HKBB COc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 5034522 XPUREZGQCRGWEI-UHFFFAOYSA-N 407.209 5.423 5 40 HKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315712 RYTDWEWHQGHCNF-UHFFFAOYSA-N 401.658 6.022 5 40 HKBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409337285 TUSXZTCDJYJYBO-COPCDDAFSA-N 420.852 5.417 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc2ccccc2s1 2271762 ZBHAGVZZNBNLPB-UHFFFAOYSA-N 401.347 5.283 5 40 HKBB CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5[N+](=O)[O-])nc4c23)C1 2798278 BMOQTNVUOWFHJX-ZDUSSCGKSA-N 421.526 5.455 5 40 HKBB OC1=N[C@@H](c2c3ccccc3cc3ccccc23)Nc2scc(-c3ccccc3)c21 4571788 OQNYDOOMEHPKJM-XMMPIXPASA-N 406.510 7.150 5 40 HKBB CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5293235 FWMBBOGIUJOLBT-UHFFFAOYSA-N 410.495 5.785 5 40 HKBB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)sc2cc1C 9708066 AJPIZLQHANWESN-UHFFFAOYSA-N 418.478 5.063 5 40 HKBB CSCC[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 12549715 ILDPTSKMNDNIMJ-OAHLLOKOSA-N 410.421 5.396 5 40 HKBB CCN(CC)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 7388764 YKTYUBFFTOQGCJ-UHFFFAOYSA-N 424.545 5.238 5 40 HKBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2c(C)c(O)ccc23)ccc1O 96114884 NYBFXXQYPOQCHZ-UHFFFAOYSA-N 403.438 5.307 5 40 HKBB biogenic O=C(C[C@@H](c1ccccc1)[C@@](Br)(c1ccccc1)[N+](=O)[O-])c1ccccc1 1603023 MMRUVTNJHKZMIH-RBBKRZOGSA-N 424.294 5.568 5 40 HKBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2Cl)c1 8744211 PLINNGIEAOTCHX-UHFFFAOYSA-N 401.813 5.197 5 40 HKBB C[C@H](Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccc(Cl)cc1 9425901 DZQLSBMHMCNIOO-AWEZNQCLSA-N 424.840 5.151 5 40 HKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccccc2)cc1 51330333 BAFWBINNUJOHIH-QLNFAEOISA-N 409.489 6.396 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 408558630 SABDIYVMGNVRJZ-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2nc3ccccc3nc12 5257585 WMBXESFMRQWVCP-UHFFFAOYSA-N 401.775 5.708 5 40 HKBB O=C(c1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 854357 UJFQJRZFUVXOHV-UHFFFAOYSA-N 416.380 6.057 5 40 HKBB biogenic O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc([N+](=O)[O-])o1 2209694 MNSUMKNBZGZTJU-UHFFFAOYSA-N 418.192 5.555 5 40 HKBB Cc1c(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] 17093716 OTTBQLBCXGFXTH-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1-c1ccc(CO)o1 20140546 UNTCZNXPZAHPTP-UHFFFAOYSA-N 418.405 5.168 5 40 HKBB CC1(C)CC2=Nc3ccccc3N[C@@H](c3c4ccccc4cc4ccccc34)C2=C(O)C1 102930963 TUNCBNFBUMANIJ-NDEPHWFRSA-N 418.540 7.864 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408611571 TZAXYHKSAVIVLY-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB O=[N+]([O-])C[C@H]1C(c2ccc3ccccc3n2)=CN(Cc2ccccc2)c2ccccc21 4046858 AZBHHSYYOLZHNA-JOCHJYFZSA-N 407.473 5.656 5 40 HKBB C[N+]1(C)CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 4372344 YONDXVJAUPDSFK-SANMLTNESA-N 424.568 5.464 5 40 HKBB Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)O2)cc1[N+](=O)[O-] 4471788 POGXQYKYICEZJA-BOPFTXTBSA-N 408.797 5.161 5 40 HKBB C[C@@H]1CCc2c(c(-c3cc(Br)ccc3O)nc3ccc4ccccc4c23)C1 4618368 ITNNZGDNIQSBEQ-CQSZACIVSA-N 418.334 6.648 5 40 HKBB COc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(C)c2[N+](=O)[O-])cc1 6177591 JNGAYVYRYNXAJK-UHFFFAOYSA-N 420.256 5.496 5 40 HKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 8320530 TVQMVBZCRTYJRV-DHZHZOJOSA-N 413.433 5.672 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)o1 100632939 FCHOKNWZSCXLED-PSLXWICFSA-N 419.412 5.956 5 40 HKBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)N21 260766316 JQDGKLMCTYOLJR-IFZYUDKTSA-N 420.494 5.229 5 40 HKBB COc1ccccc1-c1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n12 5207923 TVMZVUNJUOKBQU-UHFFFAOYSA-N 409.470 5.286 5 40 HKBB Cc1c(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cccc1[N+](=O)[O-] 8330932 LAABGNURLLFLHY-UHFFFAOYSA-N 406.221 5.827 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2c(Cl)cccc2Cl)nc1-c1ccccc1 9110026 WBLUVNIYNXCIER-UHFFFAOYSA-N 424.287 6.934 5 40 HKBB Cc1c(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cccc1[N+](=O)[O-] 17090951 RIICBOOVVIVFEV-PKNBQFBNSA-N 417.248 6.122 5 40 HKBB O=C(O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1Cc3ccccc3[C@H]21 408993462 DEXLCALDBKXAFA-CZTZKLFOSA-N 420.852 5.417 5 40 HKBB O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl 2771284 WICHCEKXPJDBQP-UHFFFAOYSA-N 420.824 5.930 5 40 HKBB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-] 17087593 BDLBYFAMPWXYDJ-UHFFFAOYSA-N 407.209 5.423 5 40 HKBB O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccc([N+](=O)[O-])cc1 32907957 XDYMWNPGHWYZKR-UHFFFAOYSA-N 404.300 5.020 5 40 HKBB Cc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] 38772635 SPHMUOMVFOAYJE-UHFFFAOYSA-N 416.477 5.684 5 40 HKBB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 38811802 IAHTYMSKHYMGBZ-UHFFFAOYSA-N 408.266 5.201 5 40 HKBB CC(C)c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc(C(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100099207 VHYYVVFRQVTEBC-UHFFFAOYSA-N 418.362 5.233 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 408605626 GHHTUIOWYVODBE-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2Cc1ccccc1 2284983 QHLQGHDQFYZTBW-UHFFFAOYSA-N 423.520 5.156 5 40 HKBB O=[N+]([O-])c1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1 4709771 DJTZIAJMJBLZNZ-NRFANRHFSA-N 402.479 5.143 5 40 HKBB CC[N+](CC)(CCC[C@@H](C)[N+]1(Cc2ccccc2)C(C)=CC=C1C)Cc1ccccc1 6424813 LXKOAZZWSGIJPQ-RUZDIDTESA-N 418.669 7.050 5 40 HKBB CC(C)c1nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc2o1 40081709 RPUWRLVQVZWOIC-UHFFFAOYSA-N 411.461 5.058 5 40 HKBB CCn1c(-c2ccc(Br)cc2)csc1=Nc1cccc([N+](=O)[O-])c1 263627902 XJTFUILVSDKVKR-UHFFFAOYSA-N 404.289 5.140 5 40 HKBB Cc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 409115474 RSLVMXWJSZTMJJ-UHFFFAOYSA-N 413.817 5.869 5 40 HKBB CC(C)c1ccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229142 HPQHJUJBCAOLBC-UHFFFAOYSA-N 401.894 5.614 5 40 HKBB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 299888578 PBMVYDNBOIVHBO-BHVWNTRMSA-N 424.585 7.679 5 40 HKBB CCOc1ccc(-n2c(-c3ccc(C)cc3)cn3c4ccc5ccccc5c4nc23)cc1 1876282 AYCMDHZZIVXDQW-UHFFFAOYSA-N 417.512 6.806 5 40 HKBB Nc1c(C(=O)Nc2ccccc2)sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c12 3617974 OUPVCLMTQABPOU-UHFFFAOYSA-N 421.503 5.795 5 40 HKBB Cc1ccc2[nH]c3c(cc(NCc4ccco4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 9057780 FLOGPNXBCVCVPP-UHFFFAOYSA-N 422.440 5.454 5 40 HKBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)c1 12437094 BXEQXRAKTPGBPO-AHWVRZQESA-N 421.456 5.990 5 40 HKBB Cc1cc(C)c(C)c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 12568192 PWVCLWJOARGEDH-UHFFFAOYSA-N 412.433 5.578 5 40 HKBB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1[N+](=O)[O-] 849435 PFMZYGMDRJSMGG-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(C)c1Sc1ccccc1[N+](=O)[O-] 1471319 UNACQXJBTDIKHJ-UHFFFAOYSA-N 413.524 5.188 5 40 HKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccc([N+](=O)[O-])cc2)N3)C1 4783880 XWKIIVDMLXYSFX-OYYUKBSXSA-N 411.527 5.577 5 40 HKBB Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(Cl)cc4Cl)cc3oc12 5243438 VCPQZVIFWSSEEH-UHFFFAOYSA-N 401.245 5.846 5 40 HKBB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccccc1[N+](=O)[O-] 9434689 YMZOVRUZZBWXAX-GAJHUEQPSA-N 401.466 5.183 5 40 HKBB O=c1c2ccccc2nc(/C=C\c2cccc([N+](=O)[O-])c2)n1-c1cccc2ccccc12 8432331 ANVKDODRJSCBTB-NXVVXOECSA-N 419.440 5.618 5 40 HKBB O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccccc1 3087527 YTUODBHFRUJBJS-UHFFFAOYSA-N 413.227 5.402 5 40 HKBB C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 19880707 XBCGZJYUOFIDOY-FYYLOGMGSA-N 419.868 5.665 5 40 HKBB Cc1c(CSc2nnc(-c3ccccc3Br)o2)cccc1[N+](=O)[O-] 40127370 BGGJHGGQOOCHOC-UHFFFAOYSA-N 406.261 5.008 5 40 HKBB Cc1cc(C)c2c(c1)c1nc3ccccc3nc1n2CCOc1ccccc1Cl 97142197 YHBIDSXXNIKZID-UHFFFAOYSA-N 401.897 6.087 5 40 HKBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 17085950 JTNNQTDOTUBVOU-PIGZYNQJSA-N 419.934 5.315 5 40 HKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1cccc2ccccc12 5303422 REMVUJOSBBVIMT-UHFFFAOYSA-N 419.484 5.979 5 40 HKBB O=c1c2ccccc2nc(/C=C/c2cccs2)n1-c1ccc(Cl)cc1[N+](=O)[O-] 5500128 YBBPSWHLGJXAQU-CSKARUKUSA-N 409.854 5.179 5 40 HKBB COc1ccc(-c2n[nH]c(SCc3cc(=O)oc4ccc5ccccc5c34)n2)cc1 8487650 PJUMIMVEWCHASN-UHFFFAOYSA-N 415.474 5.032 5 40 HKBB Cc1nc(SCc2cc(=O)oc3ccc4ccccc4c23)n(C[C@H]2CCCO2)c1C 21568635 VWGOEASJBHYOLA-LJQANCHMSA-N 420.534 5.231 5 40 HKBB CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229135 VRYVTFHRDUQVIB-UHFFFAOYSA-N 401.894 5.398 5 40 HKBB Clc1ccc(-c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c23)cc1 2345549 FMEAMZJGWUFICC-UHFFFAOYSA-N 416.911 7.924 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1C 6215877 DOXZWFJPPJFYDH-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB Cc1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 104358632 ALHIUTWBFRFLGL-UHFFFAOYSA-N 400.532 6.115 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2)cc1 408606631 JIIHFGKHOFQONG-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)cc1 408621649 OYUVUFNXQALYMF-UHFFFAOYSA-N 420.204 5.201 5 40 HKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1c(-c2ccc([N+](=O)[O-])cc2)cc2ccccn12 3313619 RXEONOCLNZWMKK-UHFFFAOYSA-N 421.796 5.307 5 40 HKBB CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NC1CCCCC1 4598452 WJMARMAUEMZWAJ-NRFANRHFSA-N 418.566 5.355 5 40 HKBB Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2-c2ccccc2)cc1 9354660 KMZLIHNTYPUUBU-UHFFFAOYSA-N 421.503 6.008 5 40 HKBB Cc1ccc(C)c(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c3ccccc3n2)c1 17088865 YCGBYNYGLJXVRB-UHFFFAOYSA-N 411.461 5.988 5 40 HKBB CCc1cccc(CC)c1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409129027 TYFGAIAYRSEWCL-HAVVHWLPSA-N 400.478 5.899 5 40 HKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3sc4ccccc4c3Cl)nc12 9363707 XEROAHXWCKRUJW-UHFFFAOYSA-N 419.871 5.334 5 40 HKBB O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1cccc([N+](=O)[O-])c1 826955 KCMZKBKBRBRDOC-UHFFFAOYSA-N 413.458 5.542 5 40 HKBB O=[N+]([O-])c1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)n2-c2ccccc2)cc1 15525561 VWSXKHFZLFUXKF-CYBMUJFWSA-N 421.309 5.128 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccn2)nc2ccccc12 16740447 PDEBTOBEGKUQGH-UHFFFAOYSA-N 404.813 5.111 5 40 HKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(F)cc4c32)c1 21017419 BRHKDFRJZIIDHS-UHFFFAOYSA-N 402.360 5.427 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 107740983 YABADACEAZDYFO-UHFFFAOYSA-N 406.442 5.274 5 40 HKBB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1coc2ccc([N+](=O)[O-])cc12 143901718 PUJVHTUTKDAXDR-UHFFFAOYSA-N 416.477 6.061 5 40 HKBB CSc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 408575039 VQTCNKHFOBAXJR-KRWDZBQOSA-N 420.947 5.061 5 40 HKBB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] 408810763 JSLAQGPVMNBIQA-UNOMPAQXSA-N 406.419 5.404 5 40 HKBB Cc1c(Cl)cccc1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 1401448 WHJDDVUCWAZLDG-UHFFFAOYSA-N 406.822 5.802 5 40 HKBB COc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] 17092878 KQIXFSYSJDLJIB-UHFFFAOYSA-N 422.220 5.527 5 40 HKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 102858688 ANMQCZQPNRYWMD-IVCQMTBJSA-N 413.525 5.697 5 40 HKBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409010072 DESOTBWQOWXDHL-BXUJETTOSA-N 412.467 5.009 5 40 HKBB O=C(Oc1ccccc1)c1cc(Sc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O 16490617 QQSCWZWMQMINQF-UHFFFAOYSA-N 417.442 5.824 5 40 HKBB Cc1ccc2cc3c(nc2c1)sc1c(SCc2ccc(Cl)cc2)ncnc13 4898284 PBOLMPKSHXUWCB-UHFFFAOYSA-N 407.951 6.647 5 40 HKBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2c(Cl)cccc12 17092088 KEENJNJZULLNNP-UHFFFAOYSA-N 420.277 5.182 5 40 HKBB CC(C)n1ncc2c(-c3ccc4c(c3)OCCO4)c3oc4cc(O)ccc4c3nc21 96116209 POAGDNBNFJGVPD-UHFFFAOYSA-N 401.422 5.055 5 40 HKBB biogenic O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225505983 XSGVNZUIVMDFKO-UHFFFAOYSA-N 416.477 5.624 5 40 HKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 408558400 UKNNNZXYXSLVBN-UHFFFAOYSA-N 412.873 5.756 5 40 HKBB Cc1n[nH]c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)c1-c1ccccc1 17206909 HBJFXNUIKFWKLI-UHFFFAOYSA-N 401.422 5.245 5 40 HKBB O=C(Nc1ccc(N2CCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224898638 BQKODGZBQOLIII-HKOYGPOVSA-N 413.477 5.374 5 40 HKBB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 408573907 FDJMJFSKNRSTQX-UHFFFAOYSA-N 419.717 5.218 5 40 HKBB O=S(=O)(O)c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1 1608212 FMDKPWHXPJEUGJ-UHFFFAOYSA-N 410.494 6.574 5 40 HKBB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 101320347 CVYQXNWSVDNYHU-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 408996676 MJHXTNCALPXFBZ-BULFRSBZSA-N 411.288 6.373 5 40 HKBB CCCN(CCC)[C@@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1729652 KVKLIOPLLKTGRE-HJPURHCSSA-N 414.387 6.299 5 40 HKBB CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 2741757 VTILTHBQWJOEIA-IBGZPJMESA-N 423.498 5.232 5 40 HKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 6595653 DWFNTFUHXHOKGS-XMMPIXPASA-N 411.413 5.529 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cc(C)cc(C)c1 224196273 RAJPMTZLGACAJX-UHFFFAOYSA-N 406.438 5.052 5 40 HKBB CC[N+](CC)(CCOc1ccccc1Cc1ccc(Cl)cc1)Cc1ccccc1 5469470 FTSXXQDDRRIXAZ-UHFFFAOYSA-N 408.993 6.366 5 40 HKBB CCOc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409115026 HVKFPPUNCFAFCW-UHFFFAOYSA-N 409.398 5.306 5 40 HKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(Oc2ccccc2)cc1)C3 2159952 XCSDUWUCBQOZCD-UHFFFAOYSA-N 421.452 6.095 5 40 HKBB biogenic Cc1ccc(Cl)cc1-n1c(-c2cccc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 2255089 CGGUYYZDESKSQK-UHFFFAOYSA-N 415.840 5.506 5 40 HKBB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 3194006 UIZYOUFABARTKX-UHFFFAOYSA-N 421.459 5.932 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 6053943 PGBHVDKMBSBQQB-TWLJRWAQSA-N 411.461 5.038 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17090952 CISOVTYADOLICS-RMKNXTFCSA-N 417.248 6.122 5 40 HKBB Brc1c2ccccc2c(Br)c2cc(-c3ccccc3)ccc12 87493222 JBYBLHYEVCYGME-UHFFFAOYSA-N 412.124 7.185 5 40 HKBB O=C(c1ccc(Br)cc1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 4854666 IHSOASWEKKUITN-UHFFFAOYSA-N 411.255 5.204 5 40 HKBB CCCCOc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc([N+](=O)[O-])cc2)cc1 5250184 XAUSXKAYJGUTCH-XMMPIXPASA-N 418.493 6.200 5 40 HKBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1Br 6446746 VGSOTDPKFVQHOO-UHFFFAOYSA-N 420.266 6.081 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1c[nH]c2ccccc12 408567124 GOAUBGTYAWCVPO-QFIPXVFZSA-N 417.421 5.064 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2 408993932 DUNHFIUEBQNUEX-LSYBOFPQSA-N 420.512 7.198 5 40 HKBB Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 20140474 NVSVDUYKJWVIIO-UHFFFAOYSA-N 418.405 5.168 5 40 HKBB Cc1cc2c3nc4ccccc4sc-3c(-c3ccc(Cl)cc3)c(=O)c2cc1C 67300069 AVPNXNOBQMYJPX-UHFFFAOYSA-N 401.918 6.852 5 40 HKBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229524 GWXYUMVMZWNEIS-SSDOTTSWSA-N 424.067 5.614 5 40 HKBB CC1CC[N+](C)(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226069391 OZGOTBIZXJXHJM-SOSLAKMFSA-N 420.658 5.033 5 40 HKBB Cc1nc2c(c(=O)n1C1CCCCC1)c1nc3ccccc3nc1n2-c1ccccc1 2317949 UDWPWTKEYHAONP-UHFFFAOYSA-N 409.493 5.097 5 40 HKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 4014275 AYSRUFJKFMQKNN-UHFFFAOYSA-N 416.264 5.766 5 40 HKBB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229516 BYMJKMXIBNLTBF-UHFFFAOYSA-N 410.040 5.226 5 40 HKBB O=c1c(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)cc2[nH]c3ccccc3n12 103243135 WXBGUDNKFBKZJL-UHFFFAOYSA-N 415.836 5.676 5 40 HKBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)c1cccc2ccccc12 4903273 OMHOJKSQHSZKNK-UHFFFAOYSA-N 416.864 6.248 5 40 HKBB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 8196673 PKZUDMMLJDTQMC-OAHLLOKOSA-N 415.449 6.169 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nc(NCCc3ccccc3)c3ccccc3n2)c1 2941483 ROKLYIPVLOLKEX-UHFFFAOYSA-N 416.506 5.485 5 40 HKBB O=[N+]([O-])c1cccc(/C=C2\CCC(C(=S)Nc3ccccc3)=C2N2CCCCC2)c1 3166659 BJSQYXPXRAQYBB-KNTRCKAVSA-N 419.550 5.952 5 40 HKBB O=C(c1cc([N+](=O)[O-])cc2c1C=Cc1c(ccc3ccccc13)O2)N1CCCCC1 20533959 YEWDROTWAYKDMO-UHFFFAOYSA-N 400.434 5.650 5 40 HKBB Cc1ccc(Nc2nc(-c3ccccc3OCc3ccc([N+](=O)[O-])cc3)cs2)cc1 33762403 RCNGENSZHXAFIV-UHFFFAOYSA-N 417.490 6.349 5 40 HKBB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CCO[C@@H]1C[C@@H]3CC[C@@]1(C)C3(C)C)C2 100731242 VZERPTZRZSESNZ-XFUTVQKMSA-N 406.675 5.526 5 40 HKBB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408624179 UVRZYIFCKQUALM-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cccc2ccccc12 850661 IKFZPKQHYURCER-UHFFFAOYSA-N 410.385 5.341 5 40 HKBB Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n3c2ccc2ccccc23)cc1 1287657 IRLSMVZFQVRALM-UHFFFAOYSA-N 423.497 5.330 5 40 HKBB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1 4673130 QVFYVCAGWBSPIF-RUZDIDTESA-N 415.493 6.122 5 40 HKBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2ncc(-c3ccccc3)o2)cc1 7597621 HCVNTFBXPKDSBW-UHFFFAOYSA-N 402.406 5.504 5 40 HKBB Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)sc2c1 9829753 QZQQEJAPUHSKSK-UHFFFAOYSA-N 424.507 5.125 5 40 HKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)oc2cc1C 21578634 GLRLGIFRKVLWME-UHFFFAOYSA-N 415.449 5.889 5 40 HKBB CCc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 225342356 OJTAWLPMGSJKTJ-KHCKMINHSA-N 400.478 5.575 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Br)cc1)N2 408996064 KVDHFXXRFBKMCW-BAGYTPMASA-N 421.294 5.828 5 40 HKBB Cc1ccn2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(-c3ccccc3)nc2c1 4791182 KSAQLZLIQOHNTQ-UHFFFAOYSA-N 406.829 5.124 5 40 HKBB COc1ccc(-c2cnoc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1 8769889 NLUYNIKPVQBXND-UHFFFAOYSA-N 418.405 5.210 5 40 HKBB biogenic Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13964507 IZORCWGXXFJRMY-UHFFFAOYSA-N 417.852 6.024 5 40 HKBB O=[N+]([O-])c1ccccc1NCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 101375721 OHWRWINJYKKNQZ-BZZOAKBMSA-N 416.506 5.469 5 40 HKBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)c1ccccc1 783159 MMHGYEPZAXAWCK-UHFFFAOYSA-N 407.476 5.608 5 40 HKBB aggregator CC(C)c1ccc([C@H](CC(=O)C(C)(C)C)[C@H](C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1859444 PYWQQDWIIBUAEF-RBBKRZOGSA-N 411.498 5.676 5 40 HKBB CCCCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1 2353736 BZZDOFLXDMYSTN-UHFFFAOYSA-N 411.505 5.974 5 40 HKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 5151770 SMUWMLIEUPRGSF-ZDUSSCGKSA-N 417.900 5.216 5 40 HKBB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 409198289 BRHFGSZIKNDUCJ-VHXPQNKSSA-N 415.474 5.070 5 40 HKBB Cc1ccc(-c2c(C)sc3nc(CSc4ccc([N+](=O)[O-])cc4)[nH]c(=O)c23)cc1 12568584 BLGSMKTZUHHVEE-UHFFFAOYSA-N 423.519 5.469 5 40 HKBB CC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2C1 22078712 AEJAPUWZSBZQFE-ZDUSSCGKSA-N 424.526 5.190 5 40 HKBB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 226769286 JEFNSRUEVFIYNY-UHFFFAOYSA-N 408.797 5.272 5 40 HKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1C 408574505 UZRFDNSSWQTHSX-NRFANRHFSA-N 410.543 5.426 5 40 HKBB COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3)C=C[C@H]2c2ccccc2)cc1OC 4963842 XXJKJSIFJWRZMJ-DDOAZUFRSA-N 415.489 5.570 5 40 HKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 6473897 QXWYZXWXSIPXCZ-UHFFFAOYSA-N 420.468 5.586 5 40 HKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1 101321113 KUAIFHNVYGPANJ-UHFFFAOYSA-N 420.421 5.228 5 40 HKBB C[C@@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)[C@H]1C[C@H]2CC[C@H]1C2 248152183 ADUSCLBPLUYBMZ-HTINNPJDSA-N 422.569 5.374 5 40 HKBB C[C@@H]1CCc2c(-c3cc(Br)ccc3O)nc3ccc4ccccc4c3c2C1 4618358 RENXPLYJQBTTFQ-CQSZACIVSA-N 418.334 6.648 5 40 HKBB Cc1ccc(NCC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12 5486926 BENIBYVETVNODM-GHTZIAJQSA-N 406.595 5.790 5 40 HKBB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)c2O1 15881144 NVSSJCPDWMPDJI-UHFFFAOYSA-N 418.449 5.140 5 40 HKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1cccs1 32781452 KRJPOSAGSMYFNL-KRWDZBQOSA-N 404.900 5.159 5 40 HKBB COc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 44839538 PNGURCVRBSDKHX-BXDFRRGMSA-N 402.450 5.021 5 40 HKBB Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccccc2)c1[N+](=O)[O-] 408544878 VUFASONSVCUPIJ-VQHVLOKHSA-N 415.243 5.403 5 40 HKBB Cc1ccc(-n2c(C)c3c(C)nn4cc(-c5cccc([N+](=O)[O-])c5)cc4c3c2C)cc1 1106327 YJXSFNOOWGRBIY-UHFFFAOYSA-N 410.477 6.087 5 40 HKBB C[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)NCCC1=CCCCC1 2642939 LUJSSQRLXBQDML-GOSISDBHSA-N 401.506 5.545 5 40 HKBB Cc1cccc(C(=O)OCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 4060543 VILGVODUUUCJLD-UHFFFAOYSA-N 413.882 6.065 5 40 HKBB CCCOP(=O)(OCCC)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 3206691 OEHDENXGVAGYAZ-FQEVSTJZSA-N 420.402 5.070 5 40 HKBB C[C@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 4499386 INIGPBWCFLSIBH-AWEZNQCLSA-N 404.308 5.521 5 40 HKBB O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1Cl 5296404 LTXGHTWBKNSSJK-BUHFOSPRSA-N 403.825 5.118 5 40 HKBB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc([N+](=O)[O-])c1 12377980 APHMMWVWGWFITQ-UHFFFAOYSA-N 406.008 5.009 5 40 HKBB Cc1ccc(NC(=S)Oc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C 1434820 NGTDSUSYIABWMC-UHFFFAOYSA-N 421.478 5.240 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 1876312 HTMAMUSJJRASKV-UHFFFAOYSA-N 422.897 5.788 5 40 HKBB Cc1c(-c2ccc(F)cc2)nn(Cc2cccc([N+](=O)[O-])c2)c1-c1ccc(F)cc1 2733502 PNEFKZZCSWRCLN-UHFFFAOYSA-N 405.404 5.760 5 40 HKBB CN(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccccc1 6714412 LEUQASJCYWSMHA-UHFFFAOYSA-N 415.456 5.156 5 40 HKBB COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2cccc(Cl)c2)cc1 8934403 VEINZNMOLKWVAC-UHFFFAOYSA-N 423.903 6.760 5 40 HKBB CC(C)OC(=O)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 21124795 JYPRJTAKAUEPIP-UHFFFAOYSA-N 418.858 5.280 5 40 HKBB Cc1c(O)ccc2c1oc1c(-c3cccnc3)c3c(O)nn(C4CCCC4)c3nc12 79473397 VLYANKMGPKTJLB-UHFFFAOYSA-N 400.438 5.227 5 40 HKBB Cc1ccc(Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 954162 NFWPTKQGNNNCAF-UHFFFAOYSA-N 417.373 5.021 5 40 HKBB O=[N+]([O-])C[C@@H]1C(c2ccc3ccccc3n2)=CN(Cc2ccccc2)c2ccccc21 4046860 AZBHHSYYOLZHNA-QFIPXVFZSA-N 407.473 5.656 5 40 HKBB Cc1cccc2c(=O)c3c(O)cc(OCc4ccc(Br)cc4)cc3oc12 5268433 KPIVMCDASWKYEQ-UHFFFAOYSA-N 411.251 5.302 5 40 HKBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2ccccc2)cc1 15545448 DXMTYMAZUKLNBK-UHFFFAOYSA-N 420.899 5.200 5 40 HKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)c1 5066046 AQEVEKBQDJDEFJ-UHFFFAOYSA-N 409.493 5.016 5 40 HKBB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 6440220 BOMLNQNRCUFDIT-OAHLLOKOSA-N 415.449 6.169 5 40 HKBB COCc1cc(C)nc2sc3c(nc(C(F)(F)F)n4c5ccccc5nc34)c12 15109251 YBMPOOFSMGFMLI-UHFFFAOYSA-N 402.401 5.119 5 40 HKBB COc1cccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)c1 21579295 CXQGVZIHZZSFOP-DHZHZOJOSA-N 415.405 5.064 5 40 HKBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1[N+](=O)[O-] 108110153 IALUGVYTLKDODH-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 408998034 HSOYYQIWZKLCTE-COPCDDAFSA-N 411.288 6.373 5 40 HKBB C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 24270232 KSVKMERVVYOWBB-QMMMGPOBSA-N 423.174 5.326 5 40 HKBB CCCCN(CCCC)CCNc1ccc(C)c2sc3cc(C)ccc3c(=O)c12 4523191 GKIKESAXZFZSDU-UHFFFAOYSA-N 410.627 6.346 5 40 HKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(-c2ccccc2)cc1 6242584 OEXJGBYQDDTMQH-UHFFFAOYSA-N 401.447 5.638 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccc(Br)s3)cc(-c3ccccc3)c2c1 9540534 CECVQVTXDQOKMH-UHFFFAOYSA-N 411.280 6.301 5 40 HKBB Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cccc1[N+](=O)[O-] 222629292 JDIHPEBZIRSJKU-UHFFFAOYSA-N 417.852 6.024 5 40 HKBB Cc1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)cc1[N+](=O)[O-] 408633252 JKQGPIRYPBQYRB-ODLFYWEKSA-N 422.418 5.522 5 40 HKBB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1 408778255 RRGICAVUACZTMT-WVWKGNOCSA-N 421.478 5.017 5 40 HKBB CCc1ccc([C@@]2(C)CC(C)(C)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1772090 OCXZHXNDKKLPLW-HHHXNRCGSA-N 414.549 6.652 5 40 HKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccccc1OC(F)F 3332737 NFQVQERTIWWROW-UHFFFAOYSA-N 421.399 5.390 5 40 HKBB O=C(Nc1ccc2oc3ccc(Cl)cc3c(=O)c2c1)c1ccc(Cl)cc1Cl 5707249 UCCKDLCHACJCKD-UHFFFAOYSA-N 418.663 6.159 5 40 HKBB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33663823 GJVAEYMQJZIWSS-UHFFFAOYSA-N 410.735 5.779 5 40 HKBB O=c1oc2ccc3ccccc3c2cc1-c1cn(-c2ccc(Cl)cc2)c(=S)[nH]1 994900 DQXZCGSOYDYWKJ-UHFFFAOYSA-N 404.878 6.115 5 40 HKBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(Cc2ccccc2)cc1 9368103 BALVIXYRMPWEMA-UHFFFAOYSA-N 421.503 5.623 5 40 HKBB Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12560211 UEWSWNFDXNOKNG-MRXNPFEDSA-N 410.783 5.202 5 40 HKBB CC(C)c1ccc(-c2ncc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)s2)cc1 95961410 XMXPIKZAZUBPIB-UHFFFAOYSA-N 405.483 5.149 5 40 HKBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 106702407 LVCFEJMHSZJTOI-NDENLUEZSA-N 420.446 5.400 5 40 HKBB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408625144 WZGFFAGYTPJMIO-UHFFFAOYSA-N 419.820 6.532 5 40 HKBB O=C(Nc1ccc(Br)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 894461 LHGHSFRWEFYXGF-UHFFFAOYSA-N 413.227 5.402 5 40 HKBB CC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c1 6597204 ZIHJXHSQNHPLAB-UHFFFAOYSA-N 410.813 5.495 5 40 HKBB Cc1noc(/C=C\c2ccc(OCc3ccccc3)c(Br)c2)c1[N+](=O)[O-] 16249575 MMAJAMOSRYAOPE-NTMALXAHSA-N 415.243 5.403 5 40 HKBB CCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] 17091817 SMPTUGSTKQAPQK-UHFFFAOYSA-N 419.462 5.523 5 40 HKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408556670 LBPMAYMDVIYUOQ-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)cc1 2426378 BXZYHNLYABVCDO-UHFFFAOYSA-N 415.472 5.003 5 40 HKBB Cc1ccn2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(-c3cccs3)nc2c1 4597452 HSRLKVZFTGJKDA-UHFFFAOYSA-N 412.858 5.185 5 40 HKBB CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 6305360 LZHLXNGURRTMBC-HSZRJFAPSA-N 417.461 5.673 5 40 HKBB COCCO[P@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1ccc(C)o1)C(C)(C)C 5445744 JZYRAIBJAREGHY-MUUNZHRXSA-N 410.407 5.040 5 40 HKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Oc1ccccc1 11617193 KNSBDZYRBIRVHM-UHFFFAOYSA-N 417.446 5.763 5 40 HKBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(OC2CCCC2)c1 12527927 CTMBQHCMSDOWCV-UHFFFAOYSA-N 412.489 5.115 5 40 HKBB CCCC(=O)Oc1cn(C2CCCC2)c2nc(CCC)n3c4ccccc4nc3c12 13211210 DKSPWKRAWGCDMO-UHFFFAOYSA-N 404.514 5.610 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2sc3nc4ccccc4nc3c2c1 408975988 OIXXJBIJLWQAJT-UHFFFAOYSA-N 423.419 6.269 5 40 HKBB COc1cc(-c2cc(-c3ccccc3)c3c(ccc4ncccc43)n2)cc(OC)c1O 709847 NGEXERYRHTXCJO-UHFFFAOYSA-N 408.457 5.840 5 40 HKBB O=[N+]([O-])c1ccc(/C=C2/c3cc(Cl)ccc3-c3c(Cl)cc(Cl)cc32)cc1 1723748 DSQLJTVYUISMMW-APSNUPSMSA-N 402.664 7.124 5 40 HKBB Cc1ccccc1[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 20492743 JBCFZZRBOJIUPI-HSZRJFAPSA-N 406.507 5.042 5 40 HKBB O=[N+]([O-])c1cc(Cl)ccc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 22804941 ZRWSDLXMDHQJCI-UHFFFAOYSA-N 424.869 5.596 5 40 HKBB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 58367820 LMGBUHUZRZHWTQ-SFHVURJKSA-N 406.467 5.091 5 40 HKBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 214768901 ASJNEENPRQNFLM-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 4646333 RRBLXJFSIZCPOP-UHFFFAOYSA-N 413.433 5.461 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccccc1OC)n1c3ccccc3nc21 9327953 HZXCJZKLAKGMMY-UHFFFAOYSA-N 420.472 5.046 5 40 HKBB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991803 GSKUUWMDCDFABB-UHFFFAOYSA-N 420.852 5.150 5 40 HKBB CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NC1CCCCC1 4598453 WJMARMAUEMZWAJ-OAQYLSRUSA-N 418.566 5.355 5 40 HKBB O=[N+]([O-])c1c(Nc2cccc3ccccc23)ncnc1Nc1cccc2ccccc12 5002651 VCYLAIBAYDVUFU-UHFFFAOYSA-N 407.433 6.178 5 40 HKBB COc1ccc2sc3c(C)ccc(NC[C@@H]4CCCN5CCCC[C@H]45)c3c(=O)c2c1 5553141 PCVVRUHQPLIQBB-LAUBAEHRSA-N 422.594 5.408 5 40 HKBB CC(C)(C)C(=O)COC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 8326213 YDSRYHIJSCLKOP-UHFFFAOYSA-N 407.875 5.171 5 40 HKBB COc1ccc(NC(=S)Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 16217144 CBVRIAAFXJJCAV-UHFFFAOYSA-N 424.503 5.324 5 40 HKBB COc1cc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)ccc1OCC(C)C 96222100 PKCOKLCLGFXJSV-UHFFFAOYSA-N 403.438 5.273 5 40 HKBB biogenic O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(O)c1 2751251 DXJHKOBGNYQZDG-UHFFFAOYSA-N 421.408 5.963 5 40 HKBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl 214713041 XMECOCKJIUIPIF-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c4ccccc4cc4ccccc34)N21 222652684 OMJMKZRTNLFTNS-QTLGCAHFSA-N 409.558 6.367 5 40 HKBB Brc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1 1452881 MQDJWJNJWKTCLZ-UHFFFAOYSA-N 418.294 5.579 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccc(Cl)cc3)c12 2264671 VJWZAIFDQGHZGU-UHFFFAOYSA-N 401.897 6.169 5 40 HKBB COc1ccc(-c2c(C)oc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1 5163743 CVCBFXYUXAVEGC-UHFFFAOYSA-N 417.417 5.264 5 40 HKBB biogenic Clc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)c1 16667918 PVWIZDAHHFBSMC-SGEDCAFJSA-N 421.887 7.015 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100045982 TVWVSNIBSNCZTL-FRKPEAEDSA-N 423.768 5.634 5 40 HKBB CC(=O)Nc1ccc(C=Cc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(C)cc2)cc1 2049241004 DXZMBXRCLHCBHG-UHFFFAOYSA-N 412.449 5.371 5 40 HKBB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccc1[N+](=O)[O-] 5685202 HYRSBFPZOIBQMA-UHFFFAOYSA-N 401.447 5.638 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 7365272 GBEAZUNEBHVHCJ-UHFFFAOYSA-N 406.269 5.363 5 40 HKBB CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 9404457 PNPCOUMCXNXMQH-UHFFFAOYSA-N 422.510 5.077 5 40 HKBB CC(C)Oc1ccc(CNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 20104463 WALIBGSLKWXBBI-LFVJCYFKSA-N 416.477 5.239 5 40 HKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 72228883 AEFOULDDFOJOIM-UHFFFAOYSA-N 421.291 5.024 5 40 HKBB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409113476 IJKZBLRDSXRFKV-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)c1 2318046 JFCWRUGVHCSYEZ-UHFFFAOYSA-N 423.520 5.406 5 40 HKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)c1 6424859 BMUDBSAUFNXRMI-UHFFFAOYSA-N 417.421 5.037 5 40 HKBB O=[N+]([O-])c1cccc(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1 6927296 WVCYFDDGOXSCRJ-UHFFFAOYSA-N 411.526 6.820 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 408635020 WQKLZKXHZIQXPB-ODLFYWEKSA-N 422.418 5.522 5 40 HKBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2CCCCCCO)cc1 12374723 QYLHWQSXKJDCTB-LNVKXUELSA-N 415.490 5.049 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 408610662 RCJYFPZABMRQDY-UHFFFAOYSA-N 413.817 5.348 5 40 HKBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2301160 HMLINZUKEBCHSP-UHFFFAOYSA-N 417.900 5.127 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 3430658 IOVGBHAPRFVVBX-UHFFFAOYSA-N 420.469 5.333 5 40 HKBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccccc1C(F)(F)F 8819011 RROPCLBXSNVGSI-UHFFFAOYSA-N 424.762 6.088 5 40 HKBB O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(CSc2ccc(Cl)cc2)cc1 24522657 FHWLOTSQKGFNQG-UHFFFAOYSA-N 406.290 6.986 5 40 HKBB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)no2)cc1 61997091 SOXHZUVFUVVFLJ-UHFFFAOYSA-N 415.833 5.334 5 40 HKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 106719901 OOOJWDHMGQLICF-ODLFYWEKSA-N 424.865 5.638 5 40 HKBB CCc1cc(-n2c3c(CC)c(=O)c(CC)cc-3nc3ccccc32)cc(CC)c1O 4774456 NYGNLTUUXZMTRX-UHFFFAOYSA-N 400.522 5.446 5 40 HKBB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl 5125345 ZFCXLDTYVLJAME-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB Nc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 6474260 VKEIEPZXPITURR-UHFFFAOYSA-N 415.396 6.140 5 40 HKBB C[C@@H](Oc1ccc(Br)cc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 13148971 GSQYEPVDLXLEKQ-SECBINFHSA-N 424.638 5.201 5 40 HKBB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3ccc([N+](=O)[O-])cc3)c2c1 6844290 JQZNKTGXXQMBHB-UHFFFAOYSA-N 419.481 6.199 5 40 HKBB Cc1c(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cccc1[N+](=O)[O-] 17091220 HBTRTDDBJFVDOS-UHFFFAOYSA-N 417.676 5.498 5 40 HKBB O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H]1c1nc2ccccc2s1 69447588 MUWJFDDCZDTFHN-CQSZACIVSA-N 404.289 5.309 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408910357 KGTVLGLOSNAXHF-DEDYPNTBSA-N 412.367 5.793 5 40 HKBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCC2 223154986 HBNJKQNQYDXLNB-LEBHPONQSA-N 412.489 5.502 5 40 HKBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(F)(F)F 225676795 GXFUJXBJBRKLND-UHFFFAOYSA-N 422.403 5.463 5 40 HKBB O=[N+]([O-])C[C@H](c1ccccc1OCc1ccc(Cl)cc1)c1c[nH]c2ccccc12 408566237 FCTIPKHLIDOZRW-OAQYLSRUSA-N 406.869 5.809 5 40 HKBB O=[N+]([O-])c1c(Sc2cccc(Cl)c2)ncnc1Sc1cccc(Cl)c1 2171502 NHPVPONYGDEEAF-UHFFFAOYSA-N 410.307 5.994 5 40 HKBB CC(C)(C)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c([N+](=O)[O-])c1 4764360 LEDUTUFCFLNIGK-UHFFFAOYSA-N 402.450 5.376 5 40 HKBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 165937348 YMVTZQNEEXBONG-OVCLIPMQSA-N 409.250 5.138 5 40 HKBB CCC1(CC)C[C@@H](NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 223262565 OKUSAMPFKVFDRW-LJQANCHMSA-N 414.527 5.027 5 40 HKBB CC(=O)Oc1cn([C@@H](C)CCc2ccccc2)c2nc(C)n3c4ccccc4nc3c12 8657372 UOJGHSQBDSDWSI-INIZCTEOSA-N 412.493 5.265 5 40 HKBB COc1ccc(NC(=S)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 408586312 NJIRQBUDSBDOAW-UHFFFAOYSA-N 411.508 5.564 5 40 HKBB CCn1nc(C)c(C(=O)Nc2cc(Oc3cc(C)cc(C)c3)cc([N+](=O)[O-])c2)c1C 652608 OIPDXYUJILSFOD-UHFFFAOYSA-N 408.458 5.089 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 3431457 UDNCXXGBODGVGW-UHFFFAOYSA-N 408.508 5.255 5 40 HKBB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 17090423 SWYPOXSWOGACFP-YCRREMRBSA-N 415.858 5.032 5 40 HKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 21595955 YSLAZNGPWUASKR-JXMROGBWSA-N 413.773 5.068 5 40 HKBB O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1F 214330349 MVHMJNKIHTYRCI-YBFXNURJSA-N 424.409 5.230 5 40 HKBB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 408573376 CZRVGLGILGFCFI-UHFFFAOYSA-N 419.717 5.218 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2)cc1 409174731 UKWQQEKVJJVDFI-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)c1 3314198 MFMUBAXFRICEDK-QFIPXVFZSA-N 418.449 5.057 5 40 HKBB CCOc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1 4543848 BATAKBMOVBRNLO-UHFFFAOYSA-N 409.916 7.774 5 40 HKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc3ccccc23)c1 408574563 VFEQCPCEBDWVHS-OAQYLSRUSA-N 404.495 5.147 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1sccc1OCc1ccc(Cl)cc1Cl 12958036 DAAKZGYOFPUAJO-UHFFFAOYSA-N 423.277 5.794 5 40 HKBB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1 59489912 YJYLKPFZDKGKSK-HYBUGGRVSA-N 409.530 5.285 5 40 HKBB Cc1cc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)ccc1[N+](=O)[O-] 809152 NILZTLACLJBYAR-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 2252850 QMSFZZJAWIKWMX-UHFFFAOYSA-N 403.530 5.298 5 40 HKBB Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(C)cc32)cc1 4714256 HGEKIYSVWKWYIV-WZONZLPQSA-N 415.493 5.804 5 40 HKBB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 4805479 WITCCQHRPBRFFP-HRAATJIYSA-N 402.454 5.579 5 40 HKBB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)oc2c1 8958879 HOAZQNXKHSJFJS-UHFFFAOYSA-N 423.812 5.323 5 40 HKBB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 9704895 BKANNPOWKZARLS-UHFFFAOYSA-N 415.814 5.477 5 40 HKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1F 214321765 JTXDXJWYIUEHFL-YBFXNURJSA-N 424.409 5.230 5 40 HKBB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 226092708 CYYCUQDJTVGTMT-UHFFFAOYSA-N 411.683 5.388 5 40 HKBB Cc1ccc(C23C[C@@H]4C[C@@H](CC(CNC(=O)c5cccc([N+](=O)[O-])c5)(C4)C2)C3)cc1 12615469 OROCMJWJFXEWJI-VINFYQEGSA-N 404.510 5.171 5 40 HKBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCc1ccccc1 12654377 DTKPCJXMHXQZNA-XYOKQWHBSA-N 418.474 5.963 5 40 HKBB CCCCc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 32119042 YCPJNSKECPWGQY-UHFFFAOYSA-N 421.478 6.059 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38859706 NWLFUIQIVQAKEH-UHFFFAOYSA-N 422.312 5.061 5 40 HKBB CC(C)N(C(C)C)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 95931089 CEAPBCPUPILJSR-UHFFFAOYSA-N 415.473 8.351 5 40 HKBB c1ccccccc(CCCc2ccccccccccccc2)cccccc1 100358947 HFRWIBFSYNOPTG-UHFFFAOYSA-N 404.597 8.360 5 40 HKBB S=C(NCCC1=CCCCC1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 104519525 UQDHTEJQQCDPFO-UHFFFAOYSA-N 401.539 5.441 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C)c(C)c1 224295721 RPELOVMQEMIHBF-UHFFFAOYSA-N 420.465 5.360 5 40 HKBB CCCOc1ccc(C=C2c3cc([N+](=O)[O-])ccc3-c3ccc([N+](=O)[O-])cc32)cc1 4199681 NRUMRLVLWMVGMP-UHFFFAOYSA-N 402.406 5.861 5 40 HKBB O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 16399993 QSSMQEHWZNPJQW-UHFFFAOYSA-N 424.265 5.043 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17090953 FLNIBBUYHXDHCL-WEVVVXLNSA-N 417.248 6.122 5 40 HKBB CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c(C(C)C)c1 3171303 VVFDKPPGYZURFC-UHFFFAOYSA-N 405.516 5.733 5 40 HKBB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4785668 ALYZJQCCXDFYMP-OJQJISPUSA-N 413.477 5.587 5 40 HKBB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc2c1c(=O)oc1ccccc12 11726701 BKBAKCMGTYLBNF-UHFFFAOYSA-N 422.868 5.099 5 40 HKBB O=[N+]([O-])c1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)n2-c2ccccc2)cc1 15525563 VWSXKHFZLFUXKF-ZDUSSCGKSA-N 421.309 5.128 5 40 HKBB O=C(Nc1ccccc1[N+](=O)[O-])c1sc2cc(Br)ccc2c1Cl 17089034 ASCAQWYPVLZJDK-UHFFFAOYSA-N 411.664 5.478 5 40 HKBB Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1[N+](=O)[O-] 22514572 ANYBRUHCAJEXNV-UHFFFAOYSA-N 416.477 5.684 5 40 HKBB Cc1cccc(CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1 214572494 UNRLMKAWIWTZHE-BUVRLJJBSA-N 409.510 6.538 5 40 HKBB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 225677775 SNTSIGUOEIXPKG-UHFFFAOYSA-N 418.493 5.986 5 40 HKBB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)ccc1[N+](=O)[O-] 1314047 OWTRIISKRAXGEG-UHFFFAOYSA-N 407.392 5.165 5 40 HKBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCCC4)c(C)nc32)cc1 2318096 WMMUFVLXTJZOKM-UHFFFAOYSA-N 423.520 5.406 5 40 HKBB Cc1cc(OCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1Cl 5994098 SMGWLGFXKVEYDN-UHFFFAOYSA-N 408.837 5.030 5 40 HKBB CC(C)CN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1 7780330 JDFNHOBSOKFJID-CSKARUKUSA-N 415.902 5.560 5 40 HKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 8762333 KLHLHWKYSVFODE-UHFFFAOYSA-N 418.396 6.017 5 40 HKBB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc([N+](=O)[O-])cc1 38811803 BXPBRMJJJFUKLE-UHFFFAOYSA-N 408.266 5.201 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(Br)c1)N2 408993400 DODMMOLPHSUWBP-HJNYFJLDSA-N 421.294 5.828 5 40 HKBB Cc1cc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3O)oc2cc1C 817472 QQGGFBOOVRPCBX-UHFFFAOYSA-N 417.421 5.286 5 40 HKBB Cc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 2442331 QBWGDVUMSNBRAN-UHFFFAOYSA-N 416.506 5.752 5 40 HKBB CCc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 6419339 HGIPOLWXMRXVLU-UHFFFAOYSA-N 412.445 5.729 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc(-c2ccccc2)c[nH]1 8781036 UGIVKKYPJHLPFW-UHFFFAOYSA-N 410.333 5.063 5 40 HKBB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409118702 TZEYPMGQMJWIDP-UHFFFAOYSA-N 412.873 5.756 5 40 HKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 1003579 BFAVTZSNRXAKIK-IBGZPJMESA-N 400.434 5.281 5 40 HKBB Cc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 14359047 UWXUPXFFCDIXKE-NTCAYCPXSA-N 424.460 5.408 5 40 HKBB CCC(=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21 2295961 YCXCSTQHGQETRJ-UHFFFAOYSA-N 400.869 5.705 5 40 HKBB O=C(Nc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1)c1cccs1 24828295 ZWUJYDFIWNYQMM-UHFFFAOYSA-N 407.476 5.699 5 40 HKBB O=[N+]([O-])c1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)cc1 408612151 UOFXPLHSJQCFDN-UHFFFAOYSA-N 402.425 6.078 5 40 HKBB Cc1c(Cl)cccc1NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409111662 DSCGQHCNORFOGL-UHFFFAOYSA-N 413.817 5.869 5 40 HKBB O=C(CCSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(-c2ccccc2)cc1 1854251 WGRRHZSSAQHXCQ-UHFFFAOYSA-N 421.474 5.170 5 40 HKBB CCCCn1c(-c2ccc(Cl)cc2)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 2208160 QCPTVJYADCGCGS-UHFFFAOYSA-N 415.276 5.277 5 40 HKBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN23)c1 12437096 BXEQXRAKTPGBPO-RSXGOPAZSA-N 421.456 5.990 5 40 HKBB COc1ccc([C@@H]2C=C(O)c3ccccc3O2)cc1COc1ccc([N+](=O)[O-])c(C)c1 100816544 ZBZPDNPHPYLOJP-DEOSSOPVSA-N 419.433 5.523 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccccc2F)c(Cl)c1)c1c[nH]c2ccccc12 408565074 BCTPMJSEQXAOSP-IBGZPJMESA-N 424.859 5.948 5 40 HKBB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1[N+](=O)[O-] 4578222 HRQJQIOUEPCAFW-UHFFFAOYSA-N 417.421 5.281 5 40 HKBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(OC(F)F)cc3OC(F)F)sc2c1 14356473 DYMKROBQXFUWED-QHHAFSJGSA-N 414.336 5.578 5 40 HKBB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)SCC(O)=N2 44900745 ANUUBXLOMQPYJN-GOSISDBHSA-N 414.874 5.167 5 40 HKBB COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(OC)cc2)cc1 888927 XUQODCUAOKDYKC-OAQYLSRUSA-N 402.450 5.261 5 40 HKBB O=[N+]([O-])c1ccc(C2N(c3ccc(Cl)cc3)CCN2c2ccc(Cl)cc2)cc1 3107701 LDGAFYUUUMBXPR-UHFFFAOYSA-N 414.292 5.927 5 40 HKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 3338075 XEVMNSAGFDIRNT-UHFFFAOYSA-N 416.355 5.714 5 40 HKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 6527410 RAJSZYHBACUBRB-UHFFFAOYSA-N 410.407 5.011 5 40 HKBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)oc2cc1C 10120365 QFFZTCYBYJANPK-UHFFFAOYSA-N 415.449 5.258 5 40 HKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 17090302 QRLMRZGPJMHVPD-FMIVXFBMSA-N 415.474 5.832 5 40 HKBB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 17093186 FOBIVPNVWDVBHS-SFHVURJKSA-N 422.529 5.216 5 40 HKBB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)o1 58085017 SYFYGZBGMXWRBB-PXAZEXFGSA-N 422.403 5.064 5 40 HKBB Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1431087 NWAIWFBHAGNSBM-UHFFFAOYSA-N 409.829 5.061 5 40 HKBB O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1 4414430 OYDGCFCWZCCFAH-RUZDIDTESA-N 409.441 5.995 5 40 HKBB CCCN(Cc1ccccc1)C(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408974934 GDLPNKZGEQNWQT-UHFFFAOYSA-N 411.530 6.050 5 40 HKBB O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 408976729 SQDYMDLRIJTSRG-GOSISDBHSA-N 409.514 5.627 5 40 HKBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 6474923 TYWAMNKISIEYJA-UHFFFAOYSA-N 422.897 5.788 5 40 HKBB COc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 6735443 ZBUOVKRPJOVABI-UHFFFAOYSA-N 412.829 5.088 5 40 HKBB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 1009065 WSVNWEGHILZMOG-UHFFFAOYSA-N 424.478 5.287 5 40 HKBB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 299888579 PBMVYDNBOIVHBO-LIJGZOPESA-N 424.585 7.679 5 40 HKBB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1CCC(C)C 2645211 ICTLICYOQOOPCY-UHFFFAOYSA-N 417.556 5.644 5 40 HKBB O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(Cl)c2Cl)c(-c2ccccc2)[nH]1 4889303 JRNMBMNPTFBVMJ-UHFFFAOYSA-N 410.260 6.626 5 40 HKBB CCN(CC)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 57316087 CVDMKOUODIKEOW-UHFFFAOYSA-N 403.891 5.561 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)-c1ccccc1/C2=C1/c2ccccc2-c2cc([N+](=O)[O-])ccc21 104152806 ATEXOJJISQPYLS-OCEACIFDSA-N 418.408 6.471 5 40 HKBB O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 214148637 RUVUCHYZDNFXJA-GOBGXLLKSA-N 400.843 5.041 5 40 HKBB CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(C)c(C)c1 408562255 OKTPJPCGKPPUDI-VHXPQNKSSA-N 423.538 5.455 5 40 HKBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Cl)c(Cl)c3)c2)cc1 409205232 OVENUAXNKMBKOB-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1cc2sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl 4695974 TZTUNSDRAIVMGF-HWKANZROSA-N 408.266 5.472 5 40 HKBB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4785667 ALYZJQCCXDFYMP-QQZGCWSASA-N 413.477 5.587 5 40 HKBB CC(C)(C)Nc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1Nc1ccccc1Cl 6363828 NGQWNNPQNUBMCQ-UHFFFAOYSA-N 416.825 5.054 5 40 HKBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 214148189 XJKZUKWAQLIKJA-UDWIEESQSA-N 420.446 5.400 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 408633841 MJJNQMBZGQDQPY-ODLFYWEKSA-N 422.418 5.522 5 40 HKBB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1Cl 2699337 YSEUIDQBIYKAEE-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB Cc1ccccc1N[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2c(C)cccc21 3013210 CEDOKBKKWCYACF-FDDCHVKYSA-N 415.493 5.804 5 40 HKBB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 3336999 UDSODEOOYMSHPH-UHFFFAOYSA-N 415.540 5.124 5 40 HKBB O=C(CC1CCCC1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 4267956 BPNCOUSXQIWXDN-UHFFFAOYSA-N 407.426 5.112 5 40 HKBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)NC2CCCCC2)ncnc13 35313595 GIQOZBYJGWIPCH-UHFFFAOYSA-N 422.579 5.242 5 40 HKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C 224104222 XJFRGSBHWQAUSL-UHFFFAOYSA-N 406.438 5.052 5 40 HKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 408575380 KROCAITVDNNSMV-UHFFFAOYSA-N 412.898 6.101 5 40 HKBB CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c2ccccc21 409121947 WAUKBYCBKGHNFW-JCMHNJIXSA-N 400.434 5.081 5 40 HKBB O=[N+]([O-])c1ccc(-n2cccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 1108004 IFQMXQQGNBRQBH-UHFFFAOYSA-N 406.445 6.110 5 40 HKBB COc1cc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc(Cl)c1O 1421436 YTOFFDOBCYRESD-UHFFFAOYSA-N 412.876 6.485 5 40 HKBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CCO[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 102476942 VZERPTZRZSESNZ-GDSGDUGOSA-N 406.675 5.526 5 40 HKBB CCCCC[C@H](C[N+](C)(C)C/C=C\c1ccccc1)[C@H](O)c1ccc(CCCC)cc1 104333523 JUCVUHWBBMMCAO-NQSJSRSBSA-N 422.677 7.049 5 40 HKBB COc1cccc2cc(C(=O)Nc3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)oc12 408570139 RYAVZQYYTYTCMJ-UHFFFAOYSA-N 420.446 5.753 5 40 HKBB O=[N+]([O-])c1cc(Br)cc(F)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250356 IDPUHYWPXTULIV-UHFFFAOYSA-N 416.071 5.586 5 40 HKBB CCCCC[C@](CCCC)(CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)C 5783436 UGAYQDSAGROYBE-JOCHJYFZSA-N 422.522 6.463 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1 6446723 OJPLBEONSQUWJW-UHFFFAOYSA-N 420.266 6.081 5 40 HKBB CC(=O)Oc1cn([C@H](C)CCc2ccccc2)c2nc(C)n3c4ccccc4nc3c12 8652202 UOJGHSQBDSDWSI-MRXNPFEDSA-N 412.493 5.265 5 40 HKBB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c(Cl)c3)nc2c1 32116347 IMCQBCONDPSQGS-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 4571485 XBHLRWYBHFCSFR-WYRIXSBYSA-N 409.467 5.470 5 40 HKBB Cc1c(Cl)cccc1-c1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)o1 22076823 NUOVJIDFIJGBPW-UHFFFAOYSA-N 420.296 5.672 5 40 HKBB CCCCN1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O 408757946 SNRCHSHMJYBFIP-UHFFFAOYSA-N 423.856 5.541 5 40 HKBB CCCCOC(Cn1c(C)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21)OCCCC 1784799 JHFCAWMQQOHEEV-UHFFFAOYSA-N 424.541 6.484 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@H]3CCCC[C@@]31N2 4733141 BTGZMYYPTSGPIQ-NOTUOJBMSA-N 423.516 6.552 5 40 HKBB O=C(Nc1ccccc1F)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408974987 IGPXPMCHYNIXSM-UHFFFAOYSA-N 419.419 5.271 5 40 HKBB O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c1 843943 YBRKPLNODMVEGC-UHFFFAOYSA-N 421.254 5.711 5 40 HKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@@H](O)c1ccccc1)C1CCCCC1 1738416 IDNFGMLJNAZHHA-HXUWFJFHSA-N 417.893 5.148 5 40 HKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(Cl)cc1 2364521 LYZIENHSAMTACY-UHFFFAOYSA-N 417.896 5.869 5 40 HKBB CCCCc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 32118763 CZHWOQXSHOAYTB-JXMROGBWSA-N 415.902 5.852 5 40 HKBB Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(Cl)cc1 409197327 BRKRUMRPTANLIN-UZYVYHOESA-N 422.293 5.018 5 40 HKBB O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 6234885 QMBHJYAPWOUPMF-AATRIKPKSA-N 403.059 5.582 5 40 HKBB COc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 6470203 MYSVFNNEDOWBTQ-UHFFFAOYSA-N 414.417 5.176 5 40 HKBB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3O)nc2c1 13893568 XAWOXNGRWSMOLZ-UHFFFAOYSA-N 423.812 5.323 5 40 HKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccccc2)cc1 409117335 XLBZOGPKHGRGHU-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)/C=C/c3ccccc3)c12 5516337 RWUZPQHPMURZLS-CCEZHUSRSA-N 407.473 5.303 5 40 HKBB Cc1ccc(C23C[C@H]4C[C@@H](CC(CNC(=O)c5cccc([N+](=O)[O-])c5)(C4)C2)C3)cc1 100846476 OROCMJWJFXEWJI-DLKVDTICSA-N 404.510 5.171 5 40 HKBB c1cc2op(N3CCCCC3)oc3ccc4c(c3c2c2c1CCCC2)CCCC4 137351816 QVDNEBLZNKUPFA-UHFFFAOYSA-N 407.494 7.170 5 40 HKBB O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409267741 OUACFWRMPCVEHS-XSFVSMFZSA-N 412.367 5.793 5 40 HKBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(-c2ccccc2)cc1 830917 NYHURIZDLGECJV-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(Cl)cc1 2964215 QSUZCUAHLCPQCY-UHFFFAOYSA-N 412.854 5.708 5 40 HKBB Cc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c([N+](=O)[O-])c1 12799058 TWBGKTVSSXUONO-UHFFFAOYSA-N 404.451 5.251 5 40 HKBB CCCn1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 106745689 HERXXMDZBBTUAI-NDENLUEZSA-N 421.478 5.196 5 40 HKBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)c(C)nc32)cc1 2222612 QZDCOVWHHMSJCI-HNNXBMFYSA-N 411.509 5.125 5 40 HKBB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 8781110 DQKBEBRKQZTFCC-ABWJNHRWSA-N 420.808 5.518 5 40 HKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 12777422 FMAAHKJKOCPPIZ-AWEZNQCLSA-N 413.861 5.055 5 40 HKBB Cc1cc(C(F)F)nc2sc3c(ncn4nc([C@@H]5C[C@H]5c5ccccc5)nc34)c12 13644142 PTLWPSVZSWKICP-QWHCGFSZSA-N 407.449 5.404 5 40 HKBB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 101317376 MRAAKQXNNZJZKX-UHFFFAOYSA-N 402.431 5.089 5 40 HKBB CCCOc1cc(Br)c(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408553482 AFJCGMAYSXLUOW-UHFFFAOYSA-N 409.280 5.157 5 40 HKBB O=C(NCCc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223424562 UQYMWRCBMWFKSB-CJLVFECKSA-N 406.869 5.148 5 40 HKBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(Br)cc1 5033340 XHPXHKXJWKLIOG-UHFFFAOYSA-N 401.216 5.178 5 40 HKBB CC1=C[C@@H](CN2CCCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 35442694 DQJXTJPEMBLODS-ONTIZHBOSA-N 424.545 5.138 5 40 HKBB biogenic,in-vitro Cc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1Cc1ccccc1 3411383 DHJGHFVMUYWHBW-UHFFFAOYSA-N 413.502 5.187 5 40 HKBB CCOc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 12707557 BKZLMMVJYQMDFC-UHFFFAOYSA-N 420.856 5.081 5 40 HKBB Cc1cc(C(=O)N(CC2CC2)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(F)cc2n1 63449357 GFMDLYLBMPNFFH-UHFFFAOYSA-N 413.836 5.301 5 40 HKBB Cc1c(O)ccc2c1oc1c(-c3ccc(C(=O)O)cc3)c3cnn(C(C)C)c3nc12 96115686 JKMCEMUIHMNJTD-UHFFFAOYSA-N 401.422 5.291 5 40 HKBB biogenic CC[C@@]12C(=O)[C@](CC)(Nc3ccc([N+](=O)[O-])cc31)C(c1ccccc1)=C2c1ccccc1 104198605 DRJIZQKFRCKUNK-KAYWLYCHSA-N 424.500 6.011 5 40 HKBB Cc1ccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1C 9569663 JMJOUHPKXPJFDQ-UHFFFAOYSA-N 406.467 5.149 5 40 HKBB Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])s3)nc2c1C 9829749 KCADBYCRQMGZQP-UHFFFAOYSA-N 424.507 5.125 5 40 HKBB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2N1c1ccccc1 13148151 SQZIWGYGHLOZLQ-JWGURIENSA-N 408.413 6.074 5 40 HKBB O=[N+]([O-])c1cccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)c1 25461367 ACPCPACCJKAHCV-GCJKJVERSA-N 403.869 5.554 5 40 HKBB COc1ccc2c(c1)c(=O)oc1cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2150144 DBQSKLMDAOJSAY-UHFFFAOYSA-N 418.448 7.035 5 40 HKBB biogenic O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 2749128 DFJGAOUBIMADDH-QHCPKHFHSA-N 415.424 5.003 5 40 HKBB CCc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc23)cc1 4970272 WJHAYQFHTXURHF-UHFFFAOYSA-N 412.424 5.850 5 40 HKBB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9632036 DJQFMQWOMZIQEJ-NSHDSACASA-N 419.915 5.491 5 40 HKBB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 5191539 BBCIFYLCMXXFFY-UHFFFAOYSA-N 405.888 5.103 5 40 HKBB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 57316178 SIFGXIJTAFOMDZ-UHFFFAOYSA-N 413.499 5.298 5 40 HKBB CC(C)(C)OC(=O)NCCCCCCNC(=O)c1c2ccccc2nc2ccccc12 71611318 OMSZQCMQRYAYLA-UHFFFAOYSA-N 421.541 5.203 5 40 HKBB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccccc1[N+](=O)[O-] 848272 QHKIYGKHZDPGPR-UHFFFAOYSA-N 408.266 5.201 5 40 HKBB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 17092087 GCGNELIDXOOBMW-FNORWQNLSA-N 420.277 5.677 5 40 HKBB CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1 408617463 CIIFDGITKXOJBY-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1CCc1ccccc1 409200752 IZJIQBSDAQPQDO-SXGWCWSVSA-N 423.277 5.181 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)cc2ccccn12 3207713 PAWMRPFHDCRTGJ-HXUWFJFHSA-N 411.288 6.322 5 40 HKBB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccccc1[N+](=O)[O-] 9435185 YMZOVRUZZBWXAX-SBUREZEXSA-N 401.466 5.183 5 40 HKBB Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc4ccccc4c3)c12 5021855 AKGDLQSYPPXBHJ-UHFFFAOYSA-N 403.485 6.278 5 40 HKBB Cc1ccc(/C=C\c2cc(/C=C/c3ccc(C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 16926235 UPSJIAGITQEPAG-HEEUSZRZSA-N 400.434 6.461 5 40 HKBB CCc1c(C)sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1C(=O)OC 17092235 JJJUKYZMCYCSIK-UHFFFAOYSA-N 420.490 5.037 5 40 HKBB Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-] 17093717 QUXARRBMSWENSE-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB Cc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(Cl)cc1 409200256 RANMVQGKPIOPNA-UZYVYHOESA-N 422.293 5.018 5 40 HKBB CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 4969964 LJWVYBYFDONLEQ-UHFFFAOYSA-N 410.433 5.548 5 40 HKBB O=[N+]([O-])c1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccccc2)cc1 51330338 BAFWBINNUJOHIH-SVVIURPLSA-N 409.489 6.396 5 40 HKBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(c1ccccc1)c1ccccc1 940902 OLVIQCWFOQREKP-UHFFFAOYSA-N 415.474 5.489 5 40 HKBB CCOC(=O)[C@H]1[C@@H](c2ccccc2)ON(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 4914538 SANJJBBEHLTVFG-DNVJHFABSA-N 418.449 5.008 5 40 HKBB CCc1cc2c(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ncnc2s1 7083890 FBUGYOMTGOIZHL-SNVBAGLBSA-N 413.484 5.065 5 40 HKBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2c3ccccc3cc3ccccc23)NC(=S)N1 9144784 CGEZOKKFQLWIGY-XMMPIXPASA-N 423.541 5.425 5 40 HKBB O=[N+]([O-])c1c(Cc2ccccc2)nc2sc3c(c2c1-c1ccccc1)CCCC3 12597386 ZTAJOUCZYWSPDJ-UHFFFAOYSA-N 400.503 6.341 5 40 HKBB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 13946106 SYMOPAMKYPYGME-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB COc1ccc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 1386993 YRDGXNRCQGGWMM-UHFFFAOYSA-N 414.870 5.660 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(C(F)(F)F)cc1)c1c(-c2ccccc2)cc2ccccn12 3205737 SXOJAISDWIOKHB-NRFANRHFSA-N 410.395 6.034 5 40 HKBB COc1ccccc1Nc1nc(Nc2cccc3ccccc23)nc(C)c1[N+](=O)[O-] 5006118 PKHBYVHYISPVCK-UHFFFAOYSA-N 401.426 5.342 5 40 HKBB CC(C)c1nnc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)s1 25323646 RXYPYOZWMMBMLM-UHFFFAOYSA-N 418.862 5.268 5 40 HKBB O=C(Nc1nc2ccc(F)cc2s1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294635 IPPOZNOMSXXUJN-UHFFFAOYSA-N 407.835 5.464 5 40 HKBB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 106728830 NPZJZNITHIKAPJ-UYRXBGFRSA-N 412.467 5.010 5 40 HKBB COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccccc2)cc1OC 1463193 KBOVZVRGNGKAKY-LJQANCHMSA-N 402.450 5.261 5 40 HKBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2029715 GJPCHBXIONSFFI-UHFFFAOYSA-N 420.406 5.032 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2C(c1ccccc1)c1ccccc1 8040518 BEYLSIZLSKXZLT-UHFFFAOYSA-N 405.457 6.249 5 40 HKBB Cc1c(Cl)ccc2c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc(-c3cccs3)nc12 8918954 IIPJZSRUMTZLLS-UHFFFAOYSA-N 423.881 6.086 5 40 HKBB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 33803824 QVYOUIXAXLWJSC-UHFFFAOYSA-N 412.515 5.026 5 40 HKBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(F)(F)F 225756685 XRTXEDXNAQEYCY-UHFFFAOYSA-N 422.403 5.463 5 40 HKBB O=[N+]([O-])c1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 2087710 XOYDSWCLNNUOCQ-UXHICEINSA-N 411.255 5.588 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12 2708495 BSABZSQBCDKBDP-GOSISDBHSA-N 411.288 6.550 5 40 HKBB Cc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(C)cc3)c2Cl)cc1 17087791 WXMNSHHSQVWKKZ-UHFFFAOYSA-N 407.861 5.098 5 40 HKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 408560377 YYZZYYDOUADEAG-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB Cc1cccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 409112994 DBFISEADKWDTHW-UHFFFAOYSA-N 416.399 6.635 5 40 HKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)nc2ccccc12 409176655 UMOHZSITOWJALW-UHFFFAOYSA-N 418.836 5.820 5 40 HKBB C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9632037 DJQFMQWOMZIQEJ-LLVKDONJSA-N 419.915 5.491 5 40 HKBB COc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409112998 GDCKAJSMLADXGX-UHFFFAOYSA-N 418.371 6.027 5 40 HKBB O=C(c1ccc([N+](=O)[O-])cc1)c1c2nc3ccccc3nc2n2c1ccc1ccccc12 3243449 KXJQYPPPSYVVPO-UHFFFAOYSA-N 418.412 5.328 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccc(OC)cc1)n1c3ccccc3nc21 9187037 LVXHDLYEQNPSRV-UHFFFAOYSA-N 420.472 5.046 5 40 HKBB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 409207169 PYPINCLYIZYUBU-VHXPQNKSSA-N 415.474 5.070 5 40 HKBB O=c1oc2ccccc2c(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c1[N+](=O)[O-] 4993514 ATSAKQYQVITTOB-FQEVSTJZSA-N 411.417 5.057 5 40 HKBB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12860513 CCBZBMNXFRRPJZ-UHFFFAOYSA-N 413.477 5.409 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 104095643 XHGJAPHMKJBARD-UHFFFAOYSA-N 408.537 5.164 5 40 HKBB O=c1c2c3c(sc2nc2c4ccccc4c(-c4ccc(F)cc4)nn12)CCCCC3 2106446 CFCLBAYWLHVOSQ-UHFFFAOYSA-N 415.493 5.532 5 40 HKBB O=C(Nc1cc(Cl)ccc1Cl)c1c(Cl)nc(Cl)c([N+](=O)[O-])c1Cl 3671694 RKQJJQKSYSQFLB-UHFFFAOYSA-N 415.447 5.509 5 40 HKBB O=[N+]([O-])c1ccc(S[C@H]2CSc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 36625085 DQXXGBIMTPVJJO-SFTDATJTSA-N 419.531 5.801 5 40 HKBB CC(C)c1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)cc1 72229147 BOKNYETYYGINGJ-HNNXBMFYSA-N 415.921 6.003 5 40 HKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C 123221631 JFVDCZHPKBHYJV-FBVYSKEZSA-N 417.678 7.753 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408706273 YZLGOFAACXUEFD-UHFFFAOYSA-N 418.858 5.150 5 40 HKBB CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409111952 AVWDAWCVHYLQBV-UHFFFAOYSA-N 406.482 5.801 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CC1CCCCC1 409137823 YZUTYOCMUOSAQI-UNOMPAQXSA-N 412.467 5.471 5 40 HKBB CCn1c2ccccc2c2cc(CNCCNc3ccc([N+](=O)[O-])cc3Cl)ccc21 6871184 FCLGJCGTBCSNKA-UHFFFAOYSA-N 422.916 5.578 5 40 HKBB COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1 13145983 MOFUJTCQKBSULB-UHFFFAOYSA-N 424.526 5.659 5 40 HKBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 19880704 XBCGZJYUOFIDOY-GGAORHGYSA-N 419.868 5.665 5 40 HKBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 72229397 IAMPUAOQTDJIHC-UHFFFAOYSA-N 414.676 5.408 5 40 HKBB COc1ccc(/C=C\c2nc3ccccc3nc2OCc2cccc([N+](=O)[O-])c2)cc1 4698039 XXHMTYAQSBYADJ-KAMYIIQDSA-N 413.433 5.296 5 40 HKBB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)oc2c1 868814 OJHSVZAQLJATHV-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB CC(C)N(C(=O)CSc1ncnc2c1sc1nc3ccccc3cc12)C(C)C 1327862 ZMPIZGBBYDPJHG-UHFFFAOYSA-N 410.568 5.130 5 40 HKBB O=C(Nc1ccc(Cl)cc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 1399831 YXKQZLGXBSQZHF-UHFFFAOYSA-N 418.758 5.266 5 40 HKBB CSc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 6154031 OVAUMZMXSNRCEE-UHFFFAOYSA-N 404.451 5.112 5 40 HKBB COc1cccc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)c1 6283015 NPHWVCCUJZHRKD-UHFFFAOYSA-N 401.422 5.336 5 40 HKBB Cc1ccc([C@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 9447776 WRBVTTJOBTUEKS-QFIPXVFZSA-N 422.440 5.301 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 12111363 NWHRAWFDPQITNF-UHFFFAOYSA-N 402.479 5.059 5 40 HKBB Cc1cc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3c(C)noc3n2)c(C)s1 14206865 XLVVPEZFLCQZTJ-UHFFFAOYSA-N 408.439 5.037 5 40 HKBB CC1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 72229241 QOKUHZVHGIOGIQ-UHFFFAOYSA-N 408.285 5.390 5 40 HKBB O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccccc1O 2751358 CENFKXOLBWQXPP-UHFFFAOYSA-N 421.408 5.963 5 40 HKBB COc1cccc2c1ncc1c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccc(C)c(C)c3)c12 20183450 GDMSMUUJCHZCRE-UHFFFAOYSA-N 424.460 5.774 5 40 HKBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 33405650 VVQJSZSKBGAFAB-UHFFFAOYSA-N 415.232 5.385 5 40 HKBB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2c(C)c(O)ccc23)cc1O 96113869 QPAFEGITZJTLNU-UHFFFAOYSA-N 403.438 5.307 5 40 HKBB biogenic O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408608012 LROUFWKQHMVCDJ-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 1094582 UIXIPUOIUIYZBC-UHFFFAOYSA-N 414.343 5.448 5 40 HKBB Cc1cccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3cccc(C)c3)c2Cl)c1 17087792 NOLKTLIZDIOEGR-UHFFFAOYSA-N 407.861 5.098 5 40 HKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 17091669 SKYQYYCEMOYZAG-WUXMJOGZSA-N 418.840 5.443 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745679 DCBKORGADGKFMY-ODLFYWEKSA-N 424.409 5.230 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408996080 KVXIPELSYJJADM-WIRXVTQYSA-N 418.496 6.318 5 40 HKBB CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O 409353713 QBRRXUQSFKWDHY-OVCLIPMQSA-N 424.356 5.072 5 40 HKBB O=[N+]([O-])c1ccc(/C=C/c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1 6575869 TXOPJXIIAAMQKX-JLHYYAGUSA-N 402.453 7.134 5 40 HKBB in-vivo COc1ccccc1C(=O)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl 72229532 CDAFOEHDRWQWEP-UHFFFAOYSA-N 403.866 5.254 5 40 HKBB Cc1noc(/C=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1[N+](=O)[O-] 408544576 UYBSLMWWMHOUSX-VAWYXSNFSA-N 407.857 6.026 5 40 HKBB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccnc1 409052546 KDNAWMHKECEVMI-UHFFFAOYSA-N 420.425 5.172 5 40 HKBB S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1 38201843 LVCUKVDQGLESHQ-KRWDZBQOSA-N 424.529 5.418 5 40 HKBB Cc1noc(/C=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1[N+](=O)[O-] 107870247 NNNJKHXQSLORGO-WTKPLQERSA-N 405.237 5.947 5 40 HKBB Cc1ccc(COc2c(Cl)cc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 408557591 PBOPDVIDOVDATN-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(Cl)c1 2409890 MKOGVBBRNOLAKM-AWEZNQCLSA-N 417.900 5.216 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1C 32116652 FTRMTVFVXIEEDF-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB C[C@H]1Cc2ccccc2N1C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 408735992 ZJYYYDBJIFEZKA-AWEZNQCLSA-N 410.502 5.379 5 40 HKBB CCC(=O)Oc1cn(-c2ccc(CC)cc2)c2nc(CC)n3c4ccccc4nc3c12 5249813 AXQPQULGFDJVOX-UHFFFAOYSA-N 412.493 5.267 5 40 HKBB C[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(Cl)c1 23054921 UUGQUGJNWVIDNO-VHSXEESVSA-N 416.692 5.233 5 40 HKBB Cc1cc2nc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)cc(C)c3O)oc2cc1C 12856666 KBRAWVFAIATEIE-UHFFFAOYSA-N 417.421 5.286 5 40 HKBB Cc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2cccc([N+](=O)[O-])c2)cc1 16711349 MZWSYWVGNICMDQ-VHXPQNKSSA-N 415.474 5.164 5 40 HKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1cc(F)ccc1F 35086085 HFGATKOJNCRMRN-UHFFFAOYSA-N 420.444 5.045 5 40 HKBB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 409199508 OESMAFKMVAZAIG-VHXPQNKSSA-N 415.474 5.070 5 40 HKBB Cc1cc(C)cc(-c2cccc3c4ccccc4c4cccc(-c5ccccc5)c4c23)c1 2077598 UVZVAYIYCDYZHK-UHFFFAOYSA-N 408.544 9.097 5 40 HKBB CCOc1ccc(Nc2nc(N(C)c3ccc(OCC)cc3)nc(C)c2[N+](=O)[O-])cc1 5393478 QZWJINFQRZKKOX-UHFFFAOYSA-N 423.473 5.002 5 40 HKBB CCCCCSc1nc2ccccc2n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 6294204 IHWRIIMLSZZFLW-UHFFFAOYSA-N 413.499 5.142 5 40 HKBB Cc1c(CSc2nnc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] 40122879 JCDPXDDZCXTICC-UHFFFAOYSA-N 406.261 5.008 5 40 HKBB CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409120827 UXEHUJOMPZWWES-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB Cc1ccc2cc3c(nc2c1)sc1c(S[C@@H]2Cc4ccccc4C2=O)ncnc13 1327870 DLUXUXAXHOLMAV-GOSISDBHSA-N 413.527 5.601 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 1774783 RBGFRTDQQDAHAM-UHFFFAOYSA-N 411.248 6.255 5 40 HKBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)c(C)nc32)c1 2254125 NYRGUECAAOHOFY-UHFFFAOYSA-N 423.520 5.324 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 7365345 GEHZOWLDBOUVAM-UHFFFAOYSA-N 406.269 5.363 5 40 HKBB Cc1noc(/C=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)c1[N+](=O)[O-] 408541848 GFBDKYKESPGSLY-VQHVLOKHSA-N 411.820 5.857 5 40 HKBB Cc1ccccc1NCc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409115915 IJMZIFPQVKAJKT-UHFFFAOYSA-N 402.372 6.326 5 40 HKBB COc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409346312 JYDAWDSMNSCYIF-UNOMPAQXSA-N 422.418 5.104 5 40 HKBB O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 4745524 KZMGBCVZOSTWJL-UHFFFAOYSA-N 404.274 6.284 5 40 HKBB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)c2ccc3ccccc3c2n1 40384450 RDINDKBQVLCYTH-UHFFFAOYSA-N 411.288 6.021 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 216385280 YXQYIBIUIKSREC-UHFFFAOYSA-N 408.479 5.327 5 40 HKBB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1 253578472 YJYLKPFZDKGKSK-YKSBVNFPSA-N 409.530 5.285 5 40 HKBB O=[N+]([O-])c1ccc2sc(SCc3nc4ccc(Cl)cn4c3Cl)nc2c1 2286329 JKAMIYAEDPYEBO-UHFFFAOYSA-N 411.295 5.451 5 40 HKBB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 2655413 DDUDDZOUKFINHF-GOSISDBHSA-N 411.501 6.302 5 40 HKBB Cc1ccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1[N+](=O)[O-] 2661137 OIVVGCODOCOAMH-HSZRJFAPSA-N 414.417 5.166 5 40 HKBB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1 7005440 JXWQNLWCOPQVSI-UHFFFAOYSA-N 415.446 5.071 5 40 HKBB O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)cc1 16488754 QQBXYQGFTDYMKI-OAQYLSRUSA-N 422.282 5.713 5 40 HKBB COc1ccccc1[C@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 225529583 ZAPWLYDISLNGFQ-JMMZKRSASA-N 402.450 5.021 5 40 HKBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)c1 2256872 ZPVTZGNGXMAVNZ-UHFFFAOYSA-N 409.493 5.016 5 40 HKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)c(OC)c1 3234631 RIKVIEGFSJHRAL-JOCHJYFZSA-N 402.450 5.032 5 40 HKBB aggregator O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(Cl)ccc1[N+](=O)[O-] 4194733 CKRMZTUGNCHQCM-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 8861280 YARDKRDATWDBEN-WEVVVXLNSA-N 417.248 6.122 5 40 HKBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C)c(C)c1 224295630 XDOONMRYRBTXRW-UHFFFAOYSA-N 420.465 5.360 5 40 HKBB Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2C)cc1 656228 DYUBHZOLIZOBSM-UHFFFAOYSA-N 415.424 5.818 5 40 HKBB O=C(Oc1cccc2ccccc12)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1846727 OARZSPBWOMOSFG-UHFFFAOYSA-N 401.443 6.118 5 40 HKBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 6219044 JIKIRQHLBZVFMA-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB O=C(Nc1ccc(Br)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 12285486 XLGMRMVJLBEOMU-UHFFFAOYSA-N 413.227 5.402 5 40 HKBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSC(c1ccccc1)c1ccccc1 19159806 AGNURLYGPUMRKE-UHFFFAOYSA-N 408.479 5.065 5 40 HKBB Cc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 409115561 JSVTVLVEYIMECV-UHFFFAOYSA-N 413.817 5.869 5 40 HKBB Cc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] 827813 QUGWXZAUQVDHNP-DYESRHJHSA-N 401.466 5.495 5 40 HKBB O=C(O[C@H](c1ccc(Cl)cc1)[C@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 984520 FINLGLKBPUVPPK-UXHICEINSA-N 423.808 5.058 5 40 HKBB COc1ccc(OC)c(NC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c1 1386999 PJSXAFFZUHSWOX-UHFFFAOYSA-N 410.451 5.016 5 40 HKBB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 4247896 BJGQAAKCHVQAQC-GHTZIAJQSA-N 409.829 5.392 5 40 HKBB CC(C)(C)c1ccc(Cn2c3ccccc3n3cc(-c4ccc([N+](=O)[O-])cc4)nc23)cc1 8836240 CZGBHBLKEGASKN-UHFFFAOYSA-N 424.504 6.210 5 40 HKBB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 409176836 YZNMHKGSFUAXLB-OAQYLSRUSA-N 409.825 5.338 5 40 HKBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409211262 MVEYGJYAJLIYAB-CIAFOILYSA-N 419.502 5.229 5 40 HKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2440666 YIPIUIDGPLBGKB-MRXNPFEDSA-N 415.541 5.464 5 40 HKBB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 4578215 DBWZISLQDZONDA-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2C1CCCCC1 5030610 KORZMCHSVNTWQF-UHFFFAOYSA-N 417.557 5.408 5 40 HKBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc4c(Cl)cccc34)nc12 10010603 ABHXWTHDONSOME-UHFFFAOYSA-N 413.842 5.272 5 40 HKBB Cc1ccc2[nH]c3c(cc(NC4CCCCC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 102967655 FLNPWQWRAKAUKE-UHFFFAOYSA-N 424.500 5.994 5 40 HKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 1003580 BFAVTZSNRXAKIK-LJQANCHMSA-N 400.434 5.281 5 40 HKBB O=[N+]([O-])c1ccccc1SN(Sc1ccccc1[N+](=O)[O-])c1nccs1 3197442 FAOZGSRFEAPILM-UHFFFAOYSA-N 406.470 5.181 5 40 HKBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc([C@H](O)c2nnc(-c3ccccc3)o2)cc1 13148021 LLZFQASZSOGMHQ-IBGZPJMESA-N 423.812 5.172 5 40 HKBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1SCc1ccsc1 15720180 BPWAXYKOLCGZRN-UHFFFAOYSA-N 416.549 5.679 5 40 HKBB Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)C3=O)cc1 17206437 ZLHZWPLUEANMET-HSZRJFAPSA-N 410.433 5.043 5 40 HKBB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCC[N+](C)(C)CCO[C@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2 100731246 VZERPTZRZSESNZ-SPAKIZDMSA-N 406.675 5.526 5 40 HKBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222990520 IPEUWRWKDBDLBS-NHCUHLMSSA-N 422.510 5.022 5 40 HKBB Cc1ccccc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409119224 RTKCHIPPBKZXSH-UHFFFAOYSA-N 417.292 6.401 5 40 HKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1cccc(C(F)(F)F)c1)CO2 2158334 SJRJPGCSAJRCBH-UHFFFAOYSA-N 411.379 5.630 5 40 HKBB biogenic Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1Cl 408823333 DYCHRPUXVLJIPK-UHFFFAOYSA-N 408.266 5.586 5 40 HKBB CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 408826053 SOLUNALXNIGCNZ-NVNXTCNLSA-N 424.356 5.072 5 40 HKBB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 409189754 IGICVYWAWBJIDD-UHFFFAOYSA-N 406.463 5.849 5 40 HKBB O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc(-c2ccc3ccccc3c2)cs1 2197543 ILPGMRBIPQCZNY-UHFFFAOYSA-N 400.415 5.645 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 4109804 IURZVZRCCUCBQY-UHFFFAOYSA-N 413.783 5.120 5 40 HKBB COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Cl)cc2)cc1 8926353 IIOOLWJJPPEDFO-UHFFFAOYSA-N 423.903 6.760 5 40 HKBB Cc1ccc(C(C)C)c(Oc2ccc(CNCCCn3ccnc3)cc2[N+](=O)[O-])c1 35310468 ORPWOPVKSHTCBG-UHFFFAOYSA-N 408.502 5.195 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38859709 RZNCJQBQIJZQNS-UHFFFAOYSA-N 422.312 5.061 5 40 HKBB Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 4129797 NMVXDISUYKFKPQ-UHFFFAOYSA-N 412.493 5.635 5 40 HKBB CCCCC[C@H](C[N+](C)(C)C/C=C/c1ccccc1)[C@H](O)c1ccc(CCCC)cc1 4429679 JUCVUHWBBMMCAO-UBXJZHHDSA-N 422.677 7.049 5 40 HKBB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4C)cc3)oc2cc1C 10120364 ATTJGROTXILYFJ-UHFFFAOYSA-N 415.449 5.258 5 40 HKBB CCCCCn1c([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc21 13660544 MBJAYMCLLZRZSL-TUQDCPSNSA-N 406.486 5.025 5 40 HKBB c1ccc(-c2c3c(cc4ccccc24)C[N+](C2CCCCC2)(C2CCCCC2)C3)cc1 18195242 HPTHBMLQAHXECW-UHFFFAOYSA-N 410.625 8.003 5 40 HKBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccc(Cl)cc2)cc1 8435770 QLYPOJDNZIMRKR-UHFFFAOYSA-N 411.889 5.029 5 40 HKBB O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1ccccc1[N+](=O)[O-] 13786112 QIFAFERBRAEGDS-BUHFOSPRSA-N 403.825 5.118 5 40 HKBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20140457 KSQQTZPZJHOMKE-UHFFFAOYSA-N 418.405 5.168 5 40 HKBB O=[N+]([O-])c1cccc(-c2cn3nc(SCc4ccccc4Cl)sc3n2)c1 21085514 XIGJZCCSCSOVPK-UHFFFAOYSA-N 402.888 5.312 5 40 HKBB C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 23054923 UUGQUGJNWVIDNO-NXEZZACHSA-N 416.692 5.233 5 40 HKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)c1 408572475 RGRWZUHOWXLQOS-KRWDZBQOSA-N 423.325 5.301 5 40 HKBB CCOc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409255194 HIRDGMYQQWTUPZ-UHFFFAOYSA-N 420.446 5.489 5 40 HKBB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 2135322 QZNSOIBYFYNDKO-UHFFFAOYSA-N 411.683 5.561 5 40 HKBB Cc1csc2nc(-c3ccc(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])cc3)cn12 5083740 IHVYWZTVOBDJPP-UHFFFAOYSA-N 412.858 5.185 5 40 HKBB Cc1ccc(OCC(=O)OCc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C)c1 5927443 PSIIHGZGYVJXCJ-UHFFFAOYSA-N 415.829 5.247 5 40 HKBB CCCCC(=O)Oc1cn([C@@H](C)CC)c2nc(CCCC)n3c4ccccc4nc3c12 13211640 QCDIINJCXXXAEK-KRWDZBQOSA-N 420.557 6.246 5 40 HKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 39522589 UMYCWVVGJQAKDI-SSDOTTSWSA-N 423.083 5.437 5 40 HKBB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222990763 XMMOTNYVXPEIAM-NHCUHLMSSA-N 422.510 5.022 5 40 HKBB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 409096280 KHRPGVFNCIUCLH-UHFFFAOYSA-N 416.506 5.367 5 40 HKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 5021719 MDAFCCHHIDEHDC-UHFFFAOYSA-N 411.509 5.172 5 40 HKBB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+](C)(C)CCO[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2 12436477 VZERPTZRZSESNZ-VOHHKHJGSA-N 406.675 5.526 5 40 HKBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCCC1 12699954 LMWRZJRMZPRRTD-UHFFFAOYSA-N 402.472 5.019 5 40 HKBB O=C1CC[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)N1c1ccccc1 65090564 WDSBIHQEZMHHQZ-FYYLOGMGSA-N 404.491 5.624 5 40 HKBB O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1 408604804 FGFKYAMSCCDDMD-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1[N+](=O)[O-] 826572 LXXQLWKKAIMZJP-UHFFFAOYSA-N 423.812 5.317 5 40 HKBB O=[N+]([O-])c1ccc2nc(N[C@@H](c3ccc(O)cc3)c3c[nH]c4ccccc34)sc2c1 12360161 SMJOEODWQZVBNH-NRFANRHFSA-N 416.462 5.593 5 40 HKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)cc2)c1 18173153 GILQAGXQUJAXHI-JLHYYAGUSA-N 417.852 5.941 5 40 HKBB Oc1ccc2c(c1)oc1c(-c3ccco3)c3c(O)nn(C4CCCCCC4)c3nc12 79497830 UYAAEBQFAFYQIO-UHFFFAOYSA-N 403.438 5.897 5 40 HKBB Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1 95949646 PSTPSZSLUXPNAS-XDHOZWIPSA-N 418.836 5.284 5 40 HKBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc3ccccc23)n1-c1ccc(Cl)cc1 408575047 VRXUXJITELWYCP-FQEVSTJZSA-N 424.913 5.492 5 40 HKBB O=C(Nc1c(Cl)cccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408583066 YMLINOXDKIMWQW-GHRIWEEISA-N 413.260 6.081 5 40 HKBB Cc1ccccc1Nc1nc(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cs1 409378587 QLCTXGRTBGXECD-UHFFFAOYSA-N 417.490 6.349 5 40 HKBB O=C(O[C@@H](c1ccc(Cl)cc1)[C@H]1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 984522 FINLGLKBPUVPPK-PMACEKPBSA-N 423.808 5.058 5 40 HKBB CC(C)CCn1c2ccccc2c2nc3cc(OC(C)C)c(OC(C)C)cc3nc21 1828455 URVOTUGGZVDVMB-UHFFFAOYSA-N 405.542 6.358 5 40 HKBB Cc1cccc(Cl)c1Cc1nc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cs1 2576685 ODONYYCPHPQEIU-UHFFFAOYSA-N 422.293 5.510 5 40 HKBB CCn1c2ccccc2c(=O)c2c1nc(-c1cccc(C)c1)n1c3ccccc3nc21 5246404 JHMVZZZEQFUMHT-UHFFFAOYSA-N 404.473 5.346 5 40 HKBB CC[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1c(C)nn(-c2ccccc2)c1C)N(C)C 5938711 UQDBOGALLPJZFM-LJAQVGFWSA-N 411.446 5.052 5 40 HKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)c(C)c1 17092821 VHNXVNSKVVUKKZ-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB CCOC(=O)c1cc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)ccc1Cl 408544811 VHMMLQOBWOCBOW-TWGQIWQCSA-N 402.790 5.152 5 40 HKBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 408556323 JPVLRLSSGIUFNC-UHFFFAOYSA-N 414.446 5.078 5 40 HKBB Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)ccc1[N+](=O)[O-] 1413915 RGMSBEMUAYXGDR-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])c2n1 11193894 VVQLPVGGJKSTFQ-UHFFFAOYSA-N 420.252 5.084 5 40 HKBB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])cc1 102486411 CFFSLJFAGXYOKC-JOCHJYFZSA-N 405.454 5.407 5 40 HKBB CCn1nc(C)c(C(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)c1C 655723 PXDYSXUCEVHHKC-UHFFFAOYSA-N 414.849 5.126 5 40 HKBB O=C1Nc2ccccc2Oc2cc(Oc3ccc(Cl)cc3Cl)cc([N+](=O)[O-])c21 1075426 VWLNBXVRHQVADO-UHFFFAOYSA-N 417.204 6.052 5 40 HKBB C[C@@]12CC[C@H]3c4ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4934397 HSVAEISJKGHUGC-DEJKCJRPSA-N 419.477 5.239 5 40 HKBB CC(C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 8340619 ITCDFUXXBHEQFY-UHFFFAOYSA-N 410.499 5.429 5 40 HKBB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 408559693 BFSCYKDNRMPONW-XDOYNYLZSA-N 415.902 5.156 5 40 HKBB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 409184692 ZCIQOKKFUZGQEI-UHFFFAOYSA-N 412.239 5.304 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 5900158 SHJWPRPSVQCKGQ-UHFFFAOYSA-N 410.842 5.172 5 40 HKBB Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc2ccccc2s1 7061870 APRUSYWUXQAYAD-UHFFFAOYSA-N 403.463 5.800 5 40 HKBB O=[N+]([O-])c1ccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCCCC3)cc1 17162457 YLZJAQSMOIFGBF-UHFFFAOYSA-N 417.316 5.432 5 40 HKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1ccc(Cl)c(Cl)c1)C3 20610404 PWFJTLINXWWQCZ-UHFFFAOYSA-N 412.272 5.605 5 40 HKBB biogenic O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)sc2Nc2ccccc2)cc1 16493388 IZSKMJMDGCCTLN-UHFFFAOYSA-N 419.531 6.754 5 40 HKBB Cc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)o1 79497750 GMASLFMQLFEGAL-UHFFFAOYSA-N 417.465 6.206 5 40 HKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2412527 YFGVPXQMQBSWPC-MRXNPFEDSA-N 411.509 5.180 5 40 HKBB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)sc2c1 5119524 GGQRUYBPVDDIFA-WUXMJOGZSA-N 415.474 5.832 5 40 HKBB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106743619 JBFBKQNLDIAYAI-UNOMPAQXSA-N 406.419 5.091 5 40 HKBB O=C(Nc1nc(-c2ccccc2)cs1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 852657 KYUYJAWTBALJPD-UHFFFAOYSA-N 415.883 5.839 5 40 HKBB O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(Cl)cc2Cl)cs1 959334 ZOMBNPGCZVWZGO-UHFFFAOYSA-N 424.265 5.043 5 40 HKBB O=C(Nc1ccc2cc3ccc(NC(=O)c4ccccc4)cc3nc2c1)c1ccccc1 6756907 RBFKXDHQBVIKSO-UHFFFAOYSA-N 417.468 5.893 5 40 HKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 8902960 HSLBQPNCNYYIJG-UHFFFAOYSA-N 401.422 5.779 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Cl)c1)O2 12194972 USLGAOABFQHACH-UNMCSNQZSA-N 405.841 5.491 5 40 HKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2cccc(Cl)c2)c1 44087370 CZZFDIITEXAZPK-UHFFFAOYSA-N 421.909 6.393 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccc(Br)cc3)c2c1 8733642 BQFZAJGAQYSQCT-UHFFFAOYSA-N 424.254 5.003 5 40 HKBB Cc1ccc([C@@H](C)Nc2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])cc1 15833846 AGSSQJSVUVEWOL-OAHLLOKOSA-N 401.426 5.188 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2)cc1 409196919 SETAJMBTACKAJS-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2cc3ccccc3cc2O)o1 2267002 NORMKHXOZGDVGL-UHFFFAOYSA-N 406.397 5.522 5 40 HKBB Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 4031474 DLUCCDUZRSKQQZ-UHFFFAOYSA-N 415.474 5.946 5 40 HKBB Cc1ccc(NC(=S)Nc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 17082070 OIGYDLFFRXMFQV-UHFFFAOYSA-N 400.685 5.128 5 40 HKBB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 222990449 IPEUWRWKDBDLBS-LEWJYISDSA-N 422.510 5.022 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 2087706 XOYDSWCLNNUOCQ-WOJBJXKFSA-N 411.255 5.588 5 40 HKBB O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1 4181088 OKJONUYSACGFTP-UHFFFAOYSA-N 412.789 5.152 5 40 HKBB O=[N+]([O-])c1ccc(OCc2ccccc2Cl)c(/C=C2/SC(=S)N=C2O)c1 1244588 BYXXXGBLCZYQJW-OVCLIPMQSA-N 406.872 5.156 5 40 HKBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCCC3)c(C)nc21 2366289 KDSULQYQVJMGMH-UHFFFAOYSA-N 403.530 5.298 5 40 HKBB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc([N+](=O)[O-])cc1 4834337 CMLJWEJQDUIGJO-PKNBQFBNSA-N 402.328 5.526 5 40 HKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2cccc(Cl)c2)c1 24522687 DYRXOTNSQNTBAO-VAWYXSNFSA-N 417.852 5.941 5 40 HKBB CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccccc2)O[C@H]1c1ccccc1 4914527 SANJJBBEHLTVFG-ZRBLBEILSA-N 418.449 5.008 5 40 HKBB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118923776 WKFAGPFCQLHAGP-UGQJNTJASA-N 417.678 7.753 5 40 HKBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(C(=O)c2ccccc2)cc1 1516027 ZFKDOWNMKOVTAP-OHYPFYFLSA-N 418.452 5.148 5 40 HKBB Cc1cccc(Nc2nc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cs2)c1 2051839 NREHHZKWQCKRHA-UHFFFAOYSA-N 417.490 6.349 5 40 HKBB COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccc([N+](=O)[O-])cc4)ccc23)cc1 2196616 HYBFOVUUPCBNAH-UHFFFAOYSA-N 417.417 5.264 5 40 HKBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)cc3)c2ncn1C1CCCC1 2249070 MQIIURJYTJQLAZ-UHFFFAOYSA-N 415.884 5.052 5 40 HKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl 2716185 RWURJKSVEPEJOG-UHFFFAOYSA-N 401.771 5.176 5 40 HKBB O=c1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c12)CCCCCC3 8442368 LYYAMPZJLMDHCB-UHFFFAOYSA-N 421.478 5.479 5 40 HKBB O=[N+]([O-])c1ccc(N2CCCCC2)c([C@H]2OCCCN2Cc2ccc(Cl)cc2)c1 59490026 NJFUVLYQRXZYKK-JOCHJYFZSA-N 415.921 5.160 5 40 HKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1Cl 2254255 NZTPLEIIQZLWKO-UHFFFAOYSA-N 415.840 5.506 5 40 HKBB O=[N+]([O-])c1ccc(Oc2nc(CN3CCCCC3)nc3sc4c(c23)CCCC4)cc1 2644969 DJBAVLDLBDQXFD-UHFFFAOYSA-N 424.526 5.257 5 40 HKBB Cc1ccc2sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)nc2c1C 4275356 NYPJHPHURFSVJS-UHFFFAOYSA-N 400.459 5.425 5 40 HKBB Cc1ccc(-c2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)o2)c([N+](=O)[O-])c1 15947776 ZCQJNRBEZCADDU-FKIZINRSSA-N 423.494 5.778 5 40 HKBB O=C(Nc1ccc2c(c1)oc1ccccc12)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372889 DWIXXIJIAWOHIU-UHFFFAOYSA-N 400.434 5.945 5 40 HKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 21580502 KFKFFZIEOKYWNV-UHFFFAOYSA-N 422.828 5.052 5 40 HKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)c1 408572476 RGRWZUHOWXLQOS-QGZVFWFLSA-N 423.325 5.301 5 40 HKBB O=C(Nc1cccc(Br)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408617678 DDMHEQQIIOLGAV-UHFFFAOYSA-N 421.634 5.523 5 40 HKBB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 2744397 IQYLSNKHTBEFEX-UHFFFAOYSA-N 421.840 5.926 5 40 HKBB COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1OC 3219808 MCNTXLIIHMKKIO-LJQANCHMSA-N 420.440 5.400 5 40 HKBB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 13096591 IUQPYGSXCHOLMW-UHFFFAOYSA-N 416.405 5.600 5 40 HKBB O=C(CCC(=O)NC1CCCCCCCCCCC1)Nc1ccc([N+](=O)[O-])cc1 199426050 GPMLTDIQUJKUOT-UHFFFAOYSA-N 403.523 5.103 5 40 HKBB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 1817483 JOSNQQOQDRGXQA-RUZDIDTESA-N 400.478 5.730 5 40 HKBB Cc1onc(-c2ccccc2Cl)c1NC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 2577668 OKGDDMORJNZDOD-UHFFFAOYSA-N 422.224 5.614 5 40 HKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccc(F)cc4)cs3)o2)cc1 9315881 FIOIELDYGLTEIV-UHFFFAOYSA-N 414.443 5.200 5 40 HKBB O=C(CSc1nc2ccccc2c2ccccc12)Nc1ccc(Cl)cc1Cl 12139468 VOUWFTBZMLDZGM-UHFFFAOYSA-N 413.329 6.426 5 40 HKBB Cc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 12524001 FTSORAJKURZLHL-VHXPQNKSSA-N 401.491 5.963 5 40 HKBB Clc1cccc(-c2nc3c4ccccc4c4ccccc4c3n2Cc2ccccc2)c1 17150031 TWWLBJIZIOWNMJ-UHFFFAOYSA-N 418.927 7.711 5 40 HKBB CC(C)n1nc(O)c2c(-c3ccc(O)c(Cl)c3)c3oc4cc(O)ccc4c3nc21 95478830 HZZHVHMSLYMURX-UHFFFAOYSA-N 409.829 5.349 5 40 HKBB O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1C1CCCCC1 2312609 GABBJSUREVMVSC-UHFFFAOYSA-N 423.520 5.042 5 40 HKBB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4cccc(O)c4)C3=O)o2)c([N+](=O)[O-])c1 8820717 IQZCWPPDTGMMAU-ODLFYWEKSA-N 422.418 5.110 5 40 HKBB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 101340323 FXEYCSUBVRPCNW-UHFFFAOYSA-N 420.808 5.274 5 40 HKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 3108870 AOPFAYDVOQOBNO-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 4078789 IMFUWBUUXJQYQO-UHFFFAOYSA-N 400.765 5.734 5 40 HKBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 4416153 VBZJCMRUTZOKGY-UHFFFAOYSA-N 406.441 5.995 5 40 HKBB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 16492171 YAKNQRBHALYLRA-UHFFFAOYSA-N 416.458 5.892 5 40 HKBB COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2cccs2)cc1OC 1463194 CHPRTAOZXUPJOI-INIZCTEOSA-N 408.479 5.322 5 40 HKBB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl 9642877 KEWXGWYCXJKCGZ-UHFFFAOYSA-N 423.572 5.282 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)o1 17919789 HZBGAWFJGGUAGE-UHFFFAOYSA-N 421.478 5.397 5 40 HKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)c1c(-c2ccc(Cl)cc2)cc2ccccn12 4980013 CGRJPELIOHATGP-UHFFFAOYSA-N 411.244 6.052 5 40 HKBB O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3c(Cl)cccc3Cl)c2c1 8733643 PFPPDUHAGRMXFP-UHFFFAOYSA-N 414.248 5.547 5 40 HKBB CCc1ccccc1NC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C 9569669 GAMPUCCNJFTBMG-UHFFFAOYSA-N 406.467 5.094 5 40 HKBB Cc1cc(C)cc(-c2nnc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)o2)c1 13120735 RQWFYZKNJCSDTL-CYBMUJFWSA-N 423.454 5.165 5 40 HKBB CCCc1cc(-c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cs2)ccn1 24522889 MIXFSIQRYSFJFS-UHFFFAOYSA-N 417.490 6.525 5 40 HKBB O=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2Oc2ccc(Cl)cc2)c1 36092282 WXAHPDXPKXZNPK-JYRVWZFOSA-N 403.825 6.154 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)cc2Br)cc1 409121762 XTGYOCSBSIUKBH-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 934711 BJGQAAKCHVQAQC-WIYYLYMNSA-N 409.829 5.392 5 40 HKBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 1309652 LHDVUMBOOYJMBL-OAQYLSRUSA-N 402.479 5.143 5 40 HKBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2708414 MFELYSNKOJZKIN-LJQANCHMSA-N 411.288 6.550 5 40 HKBB CCCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 5552429 MIOYBBJJORRNEH-MHWRWJLKSA-N 406.847 5.345 5 40 HKBB c1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 5600949 YYLWPZMEESGMBI-RFBIWTDZSA-N 404.494 7.095 5 40 HKBB CCn1c2ccccc2c2c(-c3cc(C(=O)O)c4c(ccc5ccccc54)n3)cccc21 5797619 CNMAKQPUEOALLL-UHFFFAOYSA-N 416.480 6.881 5 40 HKBB Cc1cc(-c2ccccc2)sc1/C(O)=C/c1nc2ccc([N+](=O)[O-])cc2oc1=O 102925722 WKBDSLKQXZFFDG-BOPFTXTBSA-N 406.419 5.189 5 40 HKBB COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccc(OC)cc2)cc1 826718 IXUTWWDHBGYXJO-UHFFFAOYSA-N 401.422 5.336 5 40 HKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)oc2c1 2765498 BJQIUFFVYBRLTI-UHFFFAOYSA-N 401.422 5.581 5 40 HKBB O=C(Nc1ccc2ccc3cccc4ccc1c2c34)c1sc2ccccc2c1Cl 4129083 DTKHUBUAGGQZTK-UHFFFAOYSA-N 411.913 7.704 5 40 HKBB CC(=O)N1c2ccccc2N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(Cl)cc1 26894735 MQGIALSEFNTSGG-QHCPKHFHSA-N 419.868 5.867 5 40 HKBB O=C(CSc1nc2ccccc2s1)Nc1ccnc2c1ccc1ccccc12 40384357 PDSYTHLOZOQPHU-UHFFFAOYSA-N 401.516 5.729 5 40 HKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408906626 CLPWDODBUYVQOM-UHFFFAOYSA-N 423.450 5.356 5 40 HKBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCC2 996550 WVQBIJXVOMTQAD-UHFFFAOYSA-N 422.890 5.008 5 40 HKBB COc1ccc(-c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3[nH]2)cc1 5902995 VQHSFQRNIYTXPV-UHFFFAOYSA-N 411.421 5.204 5 40 HKBB O=[N+]([O-])c1ccccc1Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1 6474056 ZILDFYRANXXVRN-UHFFFAOYSA-N 421.254 5.711 5 40 HKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl 17090958 OHVGPBNYAWBFAH-RMKNXTFCSA-N 417.248 6.122 5 40 HKBB O=C(OCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 1586675 CCQWXBGBMVMYRT-UHFFFAOYSA-N 424.158 5.156 5 40 HKBB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409122536 ZGWKTJRQWWHXRI-UHFFFAOYSA-N 408.454 5.193 5 40 HKBB O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 1940987 NNSXPHBWDVYHDO-UHFFFAOYSA-N 407.809 5.601 5 40 HKBB biogenic CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccccc2[N+](=O)[O-])N3)C1 4785280 DGSVEDOCSKCXRI-APGAYVOGSA-N 411.527 5.577 5 40 HKBB COc1cc(C(=O)Nc2ccccc2O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 32855789 YDBMIFCUERZNCC-UHFFFAOYSA-N 414.801 5.007 5 40 HKBB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])o1 102705911 UTKFUIIFATUTQO-NRFANRHFSA-N 409.442 5.390 5 40 HKBB CN(C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1)c1ccccc1 408974773 DVMQASCAACJHFS-UHFFFAOYSA-N 400.532 5.831 5 40 HKBB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccc([N+](=O)[O-])c1 32699384 FWVSKWPKHLPXCL-UHFFFAOYSA-N 400.268 5.339 5 40 HKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 39522587 UMYCWVVGJQAKDI-ZETCQYMHSA-N 423.083 5.437 5 40 HKBB CCCOC(=O)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 57313675 KZTFLXUFJWXKST-UHFFFAOYSA-N 418.858 5.282 5 40 HKBB CCN(CC)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(C)c1 57316156 UCUXFHMOCLYGOW-UHFFFAOYSA-N 417.918 5.870 5 40 HKBB Cc1ccc(-c2nn3c(Nc4ccc(Cl)cc4)nc4ccccc4c3nc2=O)cc1 89640913 XAWANGVVPGSTEM-UHFFFAOYSA-N 413.868 5.010 5 40 HKBB Cc1ccc(C2=N[C@@]3(c4ccc([N+](=O)[O-])cc4)Sc4ccccc4N(C)C3=N2)cc1 256055816 VIPJKHFQJOWLLX-QHCPKHFHSA-N 414.490 5.157 5 40 HKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1c2ccccc2Sc2ccccc21 6062557 ARCJLNCXOGQVBQ-UHFFFAOYSA-N 412.854 5.457 5 40 HKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccccc1Cl 8760760 FTNZJAWBVBIFEM-UHFFFAOYSA-N 418.909 5.420 5 40 HKBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(Cl)cc1 408570304 KWKDKEMBTMZLGA-LJQANCHMSA-N 416.934 5.463 5 40 HKBB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 1030927 DVVOTUXKOYRRNA-DEPWHIHDSA-N 417.509 5.448 5 40 HKBB CCCCCCOc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1 6862904 RLCWPWKVFITTAJ-OBGWFSINSA-N 419.481 5.208 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 17092438 JYXIAMJEIQMMMF-RMKNXTFCSA-N 420.812 5.103 5 40 HKBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(F)(F)F 225676753 AMUJZMKYRCCQRK-UHFFFAOYSA-N 408.376 5.073 5 40 HKBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 408621061 NNIBUQIBJCJQES-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(C=C(Cl)c3ccccc3)cc21 2049239211 NCOSLVMCDCDGJU-UHFFFAOYSA-N 404.809 5.159 5 40 HKBB Cc1ccc(C)n1C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 65475674 KHPFSSCYZSYDHL-UHFFFAOYSA-N 418.497 5.234 5 40 HKBB O=[N+]([O-])c1c(F)cc(Br)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250498 WALJXTPHHCIDCS-UHFFFAOYSA-N 416.071 5.586 5 40 HKBB CCCOP(=O)(OCCC)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 3206692 OEHDENXGVAGYAZ-HXUWFJFHSA-N 420.402 5.070 5 40 HKBB COc1ccc(Oc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)cc1 9324464 PRZGVPYGQMTBQH-UHFFFAOYSA-N 404.378 5.394 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)-c1ccccc1/C2=C1\c2ccccc2-c2cc([N+](=O)[O-])ccc21 104152803 ATEXOJJISQPYLS-QPLCGJKRSA-N 418.408 6.471 5 40 HKBB C[C@@H]1CCCN(c2cc(Nc3cccc(Cl)c3Cl)c([N+](=O)[O-])c3nonc23)C1 9075909 AAPBMBXDSMXEHW-SNVBAGLBSA-N 422.272 5.418 5 40 HKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1 18137691 JSQJUVBVELPHDB-UHFFFAOYSA-N 407.451 5.007 5 40 HKBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCCC1 33730558 ROTUVICHKDXRTL-UHFFFAOYSA-N 422.492 5.287 5 40 HKBB O=C(OCCC/C(=C/c1cc2ccccc2c2ccccc12)[N+](=O)[O-])c1ccccc1 1703291 OHRKWNJHAKYRDS-PYCFMQQDSA-N 411.457 6.248 5 40 HKBB Cc1cccc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C 4050022 AMBJGVUMAPATFW-UHFFFAOYSA-N 412.898 6.269 5 40 HKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n([C@@H](C)CC)c(CC)nc21 5030682 RPPJMVFKWXZSSC-INIZCTEOSA-N 405.546 5.408 5 40 HKBB O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Sc1nc2ccccc2[nH]1 9972180 OPESMIGIDCDQIW-UHFFFAOYSA-N 414.446 5.131 5 40 HKBB CN(C(=O)c1ccc2sc3nc4ccccc4nc3c2c1)c1ccc2ccccc2c1 408977940 ZUERVSCGQGXYBA-UHFFFAOYSA-N 419.509 6.428 5 40 HKBB Cc1ccc(Cl)cc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 2254976 XMNVCTXIJDZXQP-UHFFFAOYSA-N 415.840 5.506 5 40 HKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 408612445 WAACJSQJDGDJHU-UHFFFAOYSA-N 412.873 5.838 5 40 HKBB O=C(Nc1ccccc1)c1sccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1401451 FJMCLPRNHFESHV-UHFFFAOYSA-N 408.357 5.720 5 40 HKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3C)nc2c1 3206088 RSADBOYTASEGIC-UHFFFAOYSA-N 415.449 5.889 5 40 HKBB O=C(Nc1ccccc1)c1sc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 8133595 XGPAKWRKLALIIJ-UHFFFAOYSA-N 408.483 5.325 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(F)c(F)c1)O2 13757380 CVPXFFKFKSORAW-IRLDBZIGSA-N 407.376 5.115 5 40 HKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 34837452 GQCPAPBVHJBGCA-XFFZJAGNSA-N 414.845 5.693 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(Br)c1)N2 408993396 DODMMOLPHSUWBP-BAGYTPMASA-N 421.294 5.828 5 40 HKBB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8328182 CFYFNBSXFBRMRX-UHFFFAOYSA-N 400.390 5.899 5 40 HKBB Cc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1 9447769 WRBVTTJOBTUEKS-JOCHJYFZSA-N 422.440 5.301 5 40 HKBB Cc1nn2c(c1-c1ccccc1)N=C(c1cccc([N+](=O)[O-])c1)C[C@H]2c1ccncc1 14607585 ZLEYACAJVKKWLU-QFIPXVFZSA-N 409.449 5.276 5 40 HKBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccccc1 224654468 AADQSLRYTVJLIM-UHFFFAOYSA-N 408.479 5.538 5 40 HKBB CC(C)Oc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 408575182 KDJBRYFUFGTOAS-XQNSMLJCSA-N 402.450 5.561 5 40 HKBB CC(C)Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 409084321 COVWBIYSNQKOCA-UHFFFAOYSA-N 402.907 5.455 5 40 HKBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2420455 OOODNSCWQYGIDJ-MRXNPFEDSA-N 401.514 5.156 5 40 HKBB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c2n1 11193899 ZJMPOFXNKSJNDE-UHFFFAOYSA-N 420.252 5.084 5 40 HKBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 21580485 JSXFAOLMGWQMGT-UHFFFAOYSA-N 422.828 5.052 5 40 HKBB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3n2)o1 997737 JTIILEBOKXBRPB-UHFFFAOYSA-N 407.813 5.617 5 40 HKBB COc1ccc(-c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c23)cc1 2226347 UWSZAGOMQHLFQY-UHFFFAOYSA-N 412.492 7.279 5 40 HKBB COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3Cl)[nH]c2-c2ccccc2)cc1 2310207 OOXOQSYCMWKMNS-UHFFFAOYSA-N 405.841 5.981 5 40 HKBB Cc1ccc(NCCC[C@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12 5486930 AMCRYCMNVUKASY-SIKLNZKXSA-N 420.622 6.180 5 40 HKBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1 224367630 CGGSQSMQRNPJBL-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB Cn1c(-c2ccccc2)c([C@H](C[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)c2ccccc21 2708462 CFNRVGJVFNBQMA-HXUWFJFHSA-N 424.422 6.273 5 40 HKBB Cc1ccc(N(C)C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1C 408992381 AVHUJRDIMIEZEQ-UHFFFAOYSA-N 412.518 6.283 5 40 HKBB CC(C)CSc1cc([N+](=O)[O-])cc2c1c([C@@H]1OCCS1)nn2-c1ccccc1 1070730 XZLUTCOCFALZAS-HXUWFJFHSA-N 415.540 5.444 5 40 HKBB O=C(C[C@@H](c1ccccc1)[C@](Br)(c1ccccc1)[N+](=O)[O-])c1ccccc1 1603025 MMRUVTNJHKZMIH-UNMCSNQZSA-N 424.294 5.568 5 40 HKBB CC(C)c1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2248968 VYSOBTDDANRKCQ-UHFFFAOYSA-N 409.449 5.667 5 40 HKBB O=[N+]([O-])c1ccc(Nc2ccccc2)c(NCc2cc(Cl)cc3c2OCOC3)c1 8190984 TUAVJIHNLPPBFS-UHFFFAOYSA-N 411.845 5.470 5 40 HKBB O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 15425684 VHJMZZWPYVXPLK-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1882191 PMOCPRVQOZBBHW-MDWZMJQESA-N 406.825 5.131 5 40 HKBB CC(C)c1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 5021697 FFSFKFKISWFUJG-UHFFFAOYSA-N 409.449 5.667 5 40 HKBB CCC(C)(C)NC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 7780388 RRQVEVMUIIYQDA-UHFFFAOYSA-N 412.433 5.683 5 40 HKBB CCC1(CC)C[C@H](NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 223262633 OKUSAMPFKVFDRW-IBGZPJMESA-N 414.527 5.027 5 40 HKBB O=[N+]([O-])c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@H]3CCCC[C@]31N2 4733129 BTGZMYYPTSGPIQ-AZSVPQILSA-N 423.516 6.552 5 40 HKBB Cc1nn(-c2cc(Sc3ccc(Cl)cc3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 9971853 KYJBGBUIGQKCOD-UHFFFAOYSA-N 423.881 5.407 5 40 HKBB COc1ccc(C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)cc1[N+](=O)[O-] 14069583 MYPVZXXAUSASDL-UHFFFAOYSA-N 408.479 5.624 5 40 HKBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 35326936 FWUVPEPIVKRLKW-QGZVFWFLSA-N 424.529 6.019 5 40 HKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1 46086345 FBZTYSHLAKPWKD-UHFFFAOYSA-N 402.834 5.734 5 40 HKBB C[C@H]1CCCCN1c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-] 72229276 RKRWHIYLMASBTB-LBPRGKRZSA-N 408.285 5.533 5 40 HKBB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc([N+](=O)[O-])cc1 408846002 QFWCLOPOZZRICD-NTUHNPAUSA-N 419.245 5.461 5 40 HKBB CCCCCn1c(-c2ccc(Cl)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2329641 UFDBMPUXQAGASJ-UHFFFAOYSA-N 424.884 5.022 5 40 HKBB O=[N+]([O-])c1ccc(OC(F)F)c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 5072395 OQGSGMTVTPDIRX-HXUWFJFHSA-N 408.364 5.185 5 40 HKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1SCc1ccccc1Oc1ccccc1 7651829 AGDIJWXTEOKJGV-UHFFFAOYSA-N 405.397 6.698 5 40 HKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc3ccccc23)c1 27298367 MQAZQHLUXABTLQ-UHFFFAOYSA-N 411.417 5.253 5 40 HKBB O=C(O)c1ccc(CSc2ncnc3c2sc2nc4ccccc4cc23)cc1 35314706 MNDYQLKTCZKNLU-UHFFFAOYSA-N 403.488 5.383 5 40 HKBB CCCCn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3CCCC 39647242 MYFHGRHNRNCMHV-UHFFFAOYSA-N 424.544 6.223 5 40 HKBB in-vitro CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc([N+](=O)[O-])c1 102788364 YQTYNYSWMPCFQK-HSZRJFAPSA-N 419.481 5.797 5 40 HKBB CC[C@@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 2270612 AHJVMUCXWPUDTK-YJGRUCBDSA-N 415.493 5.823 5 40 HKBB Cc1cccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1[N+](=O)[O-] 13003285 MPDGGVFEXRILKK-UHFFFAOYSA-N 407.373 5.298 5 40 HKBB Cc1cccc(C)c1NC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 3015969 AKYFWQRPQHSFEL-UHFFFAOYSA-N 412.367 5.229 5 40 HKBB C[C@H](OC(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2ccccc2s1 4174111 VTLNASAGAXVLAB-ZDUSSCGKSA-N 401.443 5.474 5 40 HKBB aggregator CCOc1ccc(N[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)cc1 5261914 WMZCXEUSQYAPLR-QFIPXVFZSA-N 405.454 5.094 5 40 HKBB [O-][n+]1c(-c2cccc(Br)c2)n(O)c2c3ccccc3c3ccccc3c21 6237760 SLDCACACWBUHBO-UHFFFAOYSA-N 405.251 5.248 5 40 HKBB CC(C)(C)c1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 6305348 OSASTELUHBLBOJ-UHFFFAOYSA-N 405.450 6.042 5 40 HKBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)c3ccc(Cl)cc3Cl)ccc12 8763709 SALYBMJPBSNIGQ-UHFFFAOYSA-N 415.228 5.481 5 40 HKBB CC(C)n1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2ccccc2o1 9595207 NMFXRRXENLPBKU-UHFFFAOYSA-N 422.466 5.155 5 40 HKBB Cc1nc2ccccc2c2c(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)c3ccccc3n12 29030916 ATCLPINHCPOECH-LJQANCHMSA-N 420.472 5.014 5 40 HKBB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 98091482 PBMVYDNBOIVHBO-BJCBFJDFSA-N 424.585 7.679 5 40 HKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1 218047469 QXEKLUYKXVLFMH-UHFFFAOYSA-N 406.507 5.057 5 40 HKBB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 2380442 ZCJJTKXGSZTLQT-UHFFFAOYSA-N 412.673 5.538 5 40 HKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(C2CCCCC2)cc1 6027910 AQENAHTYJBTRFW-UHFFFAOYSA-N 412.536 6.227 5 40 HKBB COc1ccc(C)cc1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 6473133 JPOSKWZVXADZSA-UHFFFAOYSA-N 412.829 5.610 5 40 HKBB Cc1ccc2nc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)sc2c1 57316081 NDYPYQFWGCLTLO-UHFFFAOYSA-N 410.499 5.002 5 40 HKBB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl 408564462 YLUNTOSZJBFZBF-XDOYNYLZSA-N 415.902 5.156 5 40 HKBB CCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21 2325258 UFSWHEZNZNEMOW-UHFFFAOYSA-N 405.093 5.283 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2Cl)cc1 8739661 BUDZVABOZOYNIE-UHFFFAOYSA-N 401.813 5.197 5 40 HKBB O=c1[nH]c(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc2scc(-c3cccs3)c12 9245274 UCTCHFIIRUWBRQ-GQCTYLIASA-N 415.883 5.445 5 40 HKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 408604933 FWZAOKGPAQEIIZ-UHFFFAOYSA-N 413.817 5.348 5 40 HKBB CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 959313 OOGJFUOALVJQIK-UHFFFAOYSA-N 411.483 5.033 5 40 HKBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2318119 KGZZLEQIBYKRAM-UHFFFAOYSA-N 411.509 5.091 5 40 HKBB Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 2441838 LQWOTPUMRCSDQC-UHFFFAOYSA-N 422.535 5.429 5 40 HKBB CCOc1ccccc1Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 4661761 JJGQWEIBGSXFOO-UHFFFAOYSA-N 414.486 6.212 5 40 HKBB O=C(O)C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2s1 5262171 FRBOYCCWZUSTQN-SDNWHVSQSA-N 406.419 5.480 5 40 HKBB CCCCC(=O)Oc1cn(CC(C)C)c2nc(CCCC)n3c4ccccc4nc3c12 13237780 YUCBVRGPMZYTPD-UHFFFAOYSA-N 420.557 5.931 5 40 HKBB Cc1ccc(-c2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)o2)c([N+](=O)[O-])c1 15947771 ZCQJNRBEZCADDU-ODXCJYRJSA-N 423.494 5.778 5 40 HKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 68563849 TZGSAAFZDFZNNF-PHEQNACWSA-N 417.377 5.752 5 40 HKBB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1[N+](=O)[O-] 9056721 JDTAAIQDEWMYSE-UHFFFAOYSA-N 417.852 6.024 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccc3ccccc23)cs1 13953817 LKGXCKCQULKEOJ-VAWYXSNFSA-N 401.447 5.523 5 40 HKBB O=[N+]([O-])c1cccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 408869941 RHFAABDRBRRYTI-UHFFFAOYSA-N 412.254 5.156 5 40 HKBB Cc1c2occ(-c3ccc(Br)cc3)c2cc2c1oc(=O)c1ccccc12 2327881 CNXKBMCEIALCHT-UHFFFAOYSA-N 405.247 6.430 5 40 HKBB biogenic CC[C@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 4663428 AHJVMUCXWPUDTK-OUPRXKBMSA-N 415.493 5.823 5 40 HKBB CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)cc2)cc1 5689686 VQMSQRCLJSAWOV-UHFFFAOYSA-N 419.481 5.306 5 40 HKBB O=c1nc(/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)[nH]c2scc(-c3cccs3)c12 21190990 VMHSKCXNOWOTBJ-JYRVWZFOSA-N 415.883 5.358 5 40 HKBB O=C(NCCSCc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 408562810 CZENPXVMBGJOKC-UHFFFAOYSA-N 419.717 5.218 5 40 HKBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1OC 408998311 ISXHNJVIKZMHBM-IEXUWNMDSA-N 402.450 5.083 5 40 HKBB CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O 409341861 FYJWOBIEANSMJM-OVCLIPMQSA-N 424.356 5.072 5 40 HKBB Cc1ccc(C(=O)N[C@@H](Sc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 836892 XFAKQJSOOQVAHX-HNNXBMFYSA-N 419.717 5.122 5 40 HKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccccc2Br)o1 2275455 VKFLEMOZXDKSGX-UHFFFAOYSA-N 419.234 5.426 5 40 HKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224928248 RQSYSVZMQVJKSW-UHFFFAOYSA-N 417.396 5.617 5 40 HKBB CCc1ccc(NCc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409130627 IOCKDGKOFBTMCW-UHFFFAOYSA-N 416.399 6.580 5 40 HKBB O=[N+]([O-])c1ccc(Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c([N+](=O)[O-])c1 2088021 OIAVZDSXDFWQQF-UHFFFAOYSA-N 415.041 5.663 5 40 HKBB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 13954934 OVMMQTLNINDBAD-UHFFFAOYSA-N 409.854 5.777 5 40 HKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(C)cc1 224342417 YYNWSOHMDXOFBZ-UHFFFAOYSA-N 422.506 5.765 5 40 HKBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 408554255 RAXFKLRIPHUTLM-UHFFFAOYSA-N 406.438 5.133 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccccc1OCc1ccccc1Cl)c1c[nH]c2ccccc12 408567094 GKNAMXMJJOIATJ-FQEVSTJZSA-N 406.869 5.809 5 40 HKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1Cl 409179632 MVBFGCLTTGLASQ-UHFFFAOYSA-N 418.232 6.051 5 40 HKBB CCOc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C)cc1 9166291 ZIQGSGJRJNWLEF-UHFFFAOYSA-N 417.874 5.331 5 40 HKBB Cc1ccc(Sc2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc2[N+](=O)[O-])cc1 12549394 KIKAMLOVGMJQBA-VCHYOVAHSA-N 422.893 6.201 5 40 HKBB CCCCCn1c([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc21 13660548 MBJAYMCLLZRZSL-CLVCIHKQSA-N 406.486 5.025 5 40 HKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)/C=C/c1ccc(C(C)C)cc1 17091263 AYWOFWUMNAAPND-RMKNXTFCSA-N 417.918 5.206 5 40 HKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 72229336 PTSXUSPHCOLZJH-UHFFFAOYSA-N 408.285 5.899 5 40 HKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCC(C)C 225538142 PFVBEIILDGTTCJ-UHFFFAOYSA-N 410.514 5.779 5 40 HKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1 408607217 JYXPOEAVTIEZGA-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB O=C(CSc1ccc2ccccc2c1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409411913 NKSLANAMMJOTEJ-UHFFFAOYSA-N 407.278 5.786 5 40 HKBB COc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 2668690 VWZWFSKDOKEKNO-UHFFFAOYSA-N 418.294 5.557 5 40 HKBB O=c1c2ccccc2c2nccc3c4cc(OCc5ccc(Cl)cc5)ccc4n1c32 6624341 MDLXEVODOMGSNN-UHFFFAOYSA-N 410.860 5.824 5 40 HKBB biogenic c1ccc(-c2nc3nc4c5ccccc5c5ccccc5c4nn3c2-c2ccccc2)cc1 12523842 ARPLVIYZMOSWMX-UHFFFAOYSA-N 422.491 6.918 5 40 HKBB O=c1oc2ccc3ccccc3c2cc1-c1csc(-c2ccc([N+](=O)[O-])cc2)n1 1775968623 HOWFHHYQBKBFTL-UHFFFAOYSA-N 400.415 5.645 5 40 HKBB COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 667795 FOBAFNPVQMSSFH-UHFFFAOYSA-N 424.478 5.287 5 40 HKBB CCc1ccc(C2(c3ccc(CC)cc3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4852722 IERVXMGGWBKVKV-XMMPIXPASA-N 414.505 5.664 5 40 HKBB S=C(NCc1ccccc1)Nc1ccc2sc3nc4ccccc4nc3c2c1 6896628 QRFDIUDIGBVNGQ-UHFFFAOYSA-N 400.532 5.484 5 40 HKBB O=[N+]([O-])c1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 12311608 PQVVWSYJCDRHTR-UHFFFAOYSA-N 415.499 6.403 5 40 HKBB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2O 118916278 CHCOIPAZGMXLFP-ALUNSLKMSA-N 423.553 5.273 5 40 HKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 216344048 NXGQGFPGILAYPG-UHFFFAOYSA-N 407.857 5.063 5 40 HKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(C(F)(F)F)cc1)CO2 2119603 ZVWZLLOHIWKQAL-UHFFFAOYSA-N 411.379 5.630 5 40 HKBB biogenic O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 8763418 GJAQOJRIZJHKGM-UHFFFAOYSA-N 410.735 5.779 5 40 HKBB O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(F)cc3)cc2Cl)cc1 409196018 MJDYOVNKVQFFCK-UHFFFAOYSA-N 421.255 6.232 5 40 HKBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2400770 RSPNFBSQNQKADZ-LBPRGKRZSA-N 421.863 5.047 5 40 HKBB O=C(O)C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nc2ccccc2o1 8825660 DPUQRAPWDYPUJE-FMIVXFBMSA-N 424.796 5.665 5 40 HKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17091309 AMVULEVAVKCWBY-JXMROGBWSA-N 418.232 5.918 5 40 HKBB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc2N1c1ccccc1 409201117 NVFGJGLAVMDLES-CJLVFECKSA-N 408.413 6.074 5 40 HKBB Cc1sc2cc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)c[n+]2c1C 4671212 QTVFSZVITMEZBT-UHFFFAOYSA-N 406.443 5.254 5 40 HKBB Cc1ccc([C@H](C)Nc2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])cc1 15833896 SYHAPHIXVXFOBA-HNNXBMFYSA-N 401.426 5.188 5 40 HKBB CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 215259698 OCRVRHJYJXXWFX-RGVLZGJSSA-N 421.478 5.367 5 40 HKBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c4ccccc4cc4ccccc34)N21 222652618 OMJMKZRTNLFTNS-UKDVSSAZSA-N 409.558 6.367 5 40 HKBB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C\c1onc(C)c1[N+](=O)[O-] 408544350 SMBVIWISLCOFRO-XQRVVYSFSA-N 408.498 5.928 5 40 HKBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 14162110 CGQRGYVVHMELSN-UHFFFAOYSA-N 419.384 5.424 5 40 HKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl 16313041 PIDKFOUPGVCPFV-RMKNXTFCSA-N 417.248 6.122 5 40 HKBB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 17170488 AHBUULGWLPNXJU-UHFFFAOYSA-N 421.912 5.900 5 40 HKBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 167560332 YFGMSCQGAOYIID-VOTSOKGWSA-N 412.667 5.328 5 40 HKBB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408617493 CLNAQSADBKZZPL-UHFFFAOYSA-N 411.628 6.067 5 40 HKBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc(Cl)cc1 33624815 SDBSKFXHLDTTSV-UHFFFAOYSA-N 418.909 5.420 5 40 HKBB O=[N+]([O-])c1ccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 408606663 JPVKTJMCZIRHQB-UHFFFAOYSA-N 418.880 6.593 5 40 HKBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2285280 PKUMPWKNBICBLP-UHFFFAOYSA-N 417.900 5.046 5 40 HKBB O=C(Nc1ccccc1F)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 104540887 LNFAKZMGOHOKAD-UHFFFAOYSA-N 419.419 5.271 5 40 HKBB CC(C)CCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2229095 QKVUBRNCNLLSQV-UHFFFAOYSA-N 406.530 5.568 5 40 HKBB O=C(Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1)c1ccco1 9069480 LDFACCWQUSTHKJ-UHFFFAOYSA-N 418.405 5.857 5 40 HKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)cc1 9242834 POWBXKTXKKQYLZ-UHFFFAOYSA-N 415.840 5.256 5 40 HKBB CC1CC[N+](Cc2ccccc2)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 226072306 BGVJPCDHGRNAKY-KXLLNGJYSA-N 416.585 5.540 5 40 HKBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1 14911522 RBZPFLLZPQQIBH-UHFFFAOYSA-N 418.272 5.042 5 40 HKBB CCc1ccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409108516 WKHWDMBHCOWOKT-UHFFFAOYSA-N 408.405 5.216 5 40 HKBB Cc1ccc(Cl)cc1NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409112291 BMRCWRCHZBDWTM-UHFFFAOYSA-N 413.817 5.869 5 40 HKBB CC(=O)Nc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3S2)cc1 5663605 LDXXZAXLAYTZOS-QHCPKHFHSA-N 417.490 5.911 5 40 HKBB O=C(COc1ccccc1)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl 72229613 BXMYZGRWVXMENP-UHFFFAOYSA-N 403.866 5.010 5 40 HKBB Cc1ccc2nc(-c3ccc(Nc4ccc([N+](=O)[O-])cc4C(=O)O)cc3)sc2c1 408712744 MWFOCBGMGGBURQ-UHFFFAOYSA-N 405.435 5.622 5 40 HKBB O=C(O)c1cccc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c2=O)c3c45)c1 95470777 IYMFGVKMPWYDBC-UHFFFAOYSA-N 423.449 5.008 5 40 HKBB CC[N+](CC)(CC)C1=Nc2ccc(C)cc2[C@](c2ccc(OC)cc2)(C(F)(F)F)N1 12694092 PEMQWIADIRPBFN-JOCHJYFZSA-N 420.499 5.277 5 40 HKBB O=C1c2ccccc2-c2cc3nc4c5cccc6cccc(c(=O)n4c3c3cccc1c23)c65 22636344 LQGWVBUSGGTHFO-UHFFFAOYSA-N 422.443 5.957 5 40 HKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1N1CCCC1 107603927 UUKOADJMHUJMTO-VQHVLOKHSA-N 406.269 5.154 5 40 HKBB Cc1noc(/C=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1[N+](=O)[O-] 408543212 NQYFTSZJXWMLBI-OUKQBFOZSA-N 409.445 6.218 5 40 HKBB CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409111994 JLIOECRJCMVGFN-UHFFFAOYSA-N 406.482 5.801 5 40 HKBB O=C(Nc1cccc(Cl)c1Cl)c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)on1 1588865 TXMFYKGLLMTEGL-RMKNXTFCSA-N 404.209 5.312 5 40 HKBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1Cl)c1c(-c2ccccc2)cc2ccccn12 3207711 PAWMRPFHDCRTGJ-FQEVSTJZSA-N 411.288 6.322 5 40 HKBB CCCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 5014029 WFXFZFZFDPLDDL-UHFFFAOYSA-N 401.897 6.228 5 40 HKBB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 5638204 RINSEHUJCZLXMN-UHFFFAOYSA-N 417.893 5.054 5 40 HKBB CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 20459122 XGJRLDCFJZWCKQ-ZDSQJECRSA-N 416.477 5.412 5 40 HKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 408605606 GDSFPBHVSPFJOP-UHFFFAOYSA-N 413.271 5.548 5 40 HKBB Cc1c(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cccc1[N+](=O)[O-] 20495765 MQDLMBIESXTXHZ-UHFFFAOYSA-N 416.477 5.684 5 40 HKBB Cc1ccc(Nc2nn3c(=O)c4c(C)c(C)sc4nc3c3ccccc23)cc1C 3399091 WVNHGBYLMROXGU-UHFFFAOYSA-N 400.507 5.435 5 40 HKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 8411066 XUUMMIKMWUKSFY-UHFFFAOYSA-N 418.434 5.711 5 40 HKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2c3c(cccc13)CC2 59010511 FRKOHAJRQWJEJG-UHFFFAOYSA-N 421.503 5.187 5 40 HKBB O=[N+]([O-])c1ccc([C@@H]2C[C@H](c3ccccc3)O[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 226761575 YJASYVLTQWVUMA-BHIFYINESA-N 406.394 5.421 5 40 HKBB CC(C)c1ccc([C@H](CC(=O)C(C)(C)C)[C@@H](C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1 1859448 PYWQQDWIIBUAEF-UNMCSNQZSA-N 411.498 5.676 5 40 HKBB COc1ccc([N+](=O)[O-])cc1NC(c1ccccc1)(c1ccccc1)c1ccccc1 4115586 BTZBXOAFFNUKRS-UHFFFAOYSA-N 410.473 6.007 5 40 HKBB O=C(O)c1cccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 408609225 MLBPMOOCFQDYJO-UHFFFAOYSA-N 412.829 5.138 5 40 HKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)c1 408997986 PLQKKNKXOCCLRZ-QIJUGHKUSA-N 421.840 5.627 5 40 HKBB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cccc([N+](=O)[O-])c1 4805476 WITCCQHRPBRFFP-IIBYNOLFSA-N 402.454 5.579 5 40 HKBB COc1cccc(Oc2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)c1 9159765 PSOSEJSAAYXARU-UHFFFAOYSA-N 419.389 5.081 5 40 HKBB biogenic Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 9569664 DBMBGCFKCGBFSU-UHFFFAOYSA-N 412.858 5.185 5 40 HKBB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17088676 UUGHNTVILHNUTR-UHFFFAOYSA-N 410.735 5.779 5 40 HKBB COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1 408571143 NUGYKCKCQVAJLN-NRFANRHFSA-N 420.440 5.303 5 40 HKBB CCCCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 2264190 SKGXIKBCSZNFJP-UHFFFAOYSA-N 409.533 6.663 5 40 HKBB Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4063484 TXGWRQDWWDGWKO-QFIPXVFZSA-N 416.506 5.451 5 40 HKBB O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(/C(Cl)=C/c3ccccc3)cc21 1618582 TZHAJWKTJJMASZ-WQRHYEAKSA-N 404.809 5.159 5 40 HKBB Brc1ccc2c3c(cccc13)/C(=C\c1ccc3cc4ccccc4cc3c1)C2 3184433 DUWGGMMQBGCNIC-QRVIBDJDSA-N 421.337 8.005 5 40 HKBB Cc1cc(Br)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33635073 TZIRPIOZTCVHFO-UHFFFAOYSA-N 401.216 5.178 5 40 HKBB Cc1ccc(-c2nn3c(SCc4ccccc4)nc4ccccc4c3nc2=O)cc1C 89643292 VCGKBWNNYJXVIX-UHFFFAOYSA-N 424.529 5.214 5 40 HKBB O=[N+]([O-])c1ccc(CSc2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1 2948853 RFILHLJFAGDWIZ-UHFFFAOYSA-N 406.442 5.713 5 40 HKBB C[C@@H](CCc1ccccc1)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408576344 SPMUXHHLIKHLNW-YJZSVRAESA-N 400.478 5.273 5 40 HKBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 9291890 ILDUAXHGMJJHTB-UHFFFAOYSA-N 420.812 5.218 5 40 HKBB Cc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(C)c(C)c3)c2C)cc1C 13960760 IRLVXMJODRYYTL-UHFFFAOYSA-N 415.497 5.370 5 40 HKBB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 20140598 GPLKVTHKLPVSTF-UHFFFAOYSA-N 418.405 5.168 5 40 HKBB Cc1ccc([C@H](NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 20460825 GGDTZHZEFVJVNH-HSZRJFAPSA-N 406.507 5.042 5 40 HKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408556977 LHZLARBTJQXWLO-UHFFFAOYSA-N 403.265 6.093 5 40 HKBB O=S(=O)(Oc1c2ccccc2c(O)c2c1ccc1cccnc12)c1ccccc1 6885450 RMORSRCEPAISKG-UHFFFAOYSA-N 401.443 5.015 5 40 HKBB C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCC2 223154916 HBNJKQNQYDXLNB-OAKZWBAKSA-N 412.489 5.502 5 40 HKBB