smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 5068819 AGPHJCZPNJVGLN-UHFFFAOYSA-N 401.894 4.508 5 50 HJBA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(OCc2cccc([N+](=O)[O-])c2)c1 2849894 MRZKIXNCAIGRPV-BKUYFWCQSA-N 418.380 4.657 5 50 HJBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1Cl 1175678 RJGBIDUGCMYOBN-UHFFFAOYSA-N 404.662 4.682 5 50 HJBA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 1219186 UKQFQJGULSYHHS-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA O=C(NCCOc1ccccc1)c1ccccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 2839351 QDRRERQUBKUSHQ-UHFFFAOYSA-N 412.829 4.849 5 50 HJBA O=C(CCSc1ccc([N+](=O)[O-])cc1)Oc1ccccc1C(=O)Oc1ccccc1 2844519 ZYVZZEOWJUVOET-UHFFFAOYSA-N 423.446 4.902 5 50 HJBA O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 971148 VSEPRBXOLWFQGM-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 18203912 FBJWYSYZIRRIOH-UEQSERJNSA-N 424.456 4.838 5 50 HJBA biogenic Cc1cc(C)c(C)c(Oc2cc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc([N+](=O)[O-])c2)c1 6921966 SZUJPTXHVPFNHB-BGYRXZFFSA-N 408.454 4.992 5 50 HJBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](CC)C2 1217684 NICMLZZPKWLCHF-GFCCVEGCSA-N 402.472 4.600 5 50 HJBA C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 170640367 BDCRASIDTOPLFP-CQSZACIVSA-N 408.483 4.594 5 50 HJBA CCOC(=O)CCc1cc(Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)nc(C)n1 1472692944 NQTNBYWDNCWUAP-UHFFFAOYSA-N 422.441 4.725 5 50 HJBA O=C(CSc1nccc(-c2ccc3ccccc3c2)n1)Nc1cccc([N+](=O)[O-])c1 2805494 NEJCJFPGWAKJKQ-UHFFFAOYSA-N 416.462 4.936 5 50 HJBA O=[N+]([O-])c1cc(Br)ccc1-c1ccc(Br)cc1[N+](=O)[O-] 72206763 REUCYFQYHWKXPH-UHFFFAOYSA-N 401.998 4.695 5 50 HJBA in-vitro O=C(/C=C/c1ccc(Cl)cc1Cl)NCCNc1c(Cl)cccc1[N+](=O)[O-] 8816342 ZWNBQTNGLDYXFJ-FNORWQNLSA-N 414.676 4.797 5 50 HJBA CCOC(=O)c1c(C)sc(Sc2ccc(Cl)cc2[N+](=O)[O-])c1OC(C)=O 977829 CBSZRYSLNUKIGI-UHFFFAOYSA-N 415.876 4.871 5 50 HJBA O=[N+]([O-])c1cccc(-c2ccc(-c3nn4c(Cc5ccccc5)nnc4s3)o2)c1 1122757 SCNBEVBYRHJOGH-UHFFFAOYSA-N 403.423 4.612 5 50 HJBA COc1ccc(OCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 1116925 MKMHGHDEUMRCLP-UHFFFAOYSA-N 410.451 4.772 5 50 HJBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 4688226 OIUJAXWCOBCTGR-UHFFFAOYSA-N 405.498 4.761 5 50 HJBA CC(C)OC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 799315 SXYPBAHEJHRDEN-GFCCVEGCSA-N 402.472 4.599 5 50 HJBA COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl 5028006 NGXXOVUCMVQSBN-UHFFFAOYSA-N 419.865 4.508 5 50 HJBA Cc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 1218709 GAJQDJUFSARIBG-DHZHZOJOSA-N 413.437 4.597 5 50 HJBA Cc1c(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-] 1147546 HFIQXIYNXBMNSB-UHFFFAOYSA-N 405.406 4.522 5 50 HJBA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C 1173896 XAENWUWCGJBTQI-UHFFFAOYSA-N 421.844 4.851 5 50 HJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc2ccccc2c1Br 8398727 HTPFKAUTIDMBMT-UHFFFAOYSA-N 415.243 4.836 5 50 HJBA COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 9668142 AVVBCQKYBMXZNO-UHFFFAOYSA-N 421.434 4.630 5 50 HJBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1[N+](=O)[O-] 239433284 XLUWPBDJPCVERE-WNRNVDISSA-N 424.284 4.696 5 50 HJBA aggregator COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 15016280 YPWDOGOPNRXSNB-DYESRHJHSA-N 407.451 4.907 5 50 HJBA Cc1c(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] 1147882 WHJONPIHEPISJS-INIZCTEOSA-N 403.438 4.647 5 50 HJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccc(Cl)c(Cl)c1 2986487 UBQWNEMOQVSWHM-XBXARRHUSA-N 411.310 4.964 5 50 HJBA Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 4953061 FNMVTOCRTVNFFV-UHFFFAOYSA-N 411.241 4.672 5 50 HJBA COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 681644 KCTHXCXCJGCEHY-UHFFFAOYSA-N 424.478 4.908 5 50 HJBA O=C(NCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 4687366 ORSLXPJOILYREG-UHFFFAOYSA-N 415.799 4.889 5 50 HJBA O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 1170912 JVASCLBAPRLATK-UHFFFAOYSA-N 412.401 4.850 5 50 HJBA CCN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 4688015 QVQWGQHPSGQYGK-YBFXNURJSA-N 407.451 4.654 5 50 HJBA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 9489264 AXFMUVLAYBXQIK-VUUXHMSQSA-N 424.456 4.556 5 50 HJBA biogenic COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1108875 ZBSDRBNHOLDLMU-HNNXBMFYSA-N 420.421 4.506 5 50 HJBA aggregator CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1 1127601 JJYPJFHTWLOVRL-UHFFFAOYSA-N 414.421 4.742 5 50 HJBA O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 16182805 CUDQXAVKHAXSAU-OQLLNIDSSA-N 419.256 4.594 5 50 HJBA COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)C(C)C 1068448 VXRQPUVBSVCGSA-UHFFFAOYSA-N 423.425 4.710 5 50 HJBA O=C1N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 1142650 UZIBHOOBAVKRJP-WQRHYEAKSA-N 423.812 4.601 5 50 HJBA C[C@@H]1CCc2c(sc3nc4c5ccccc5c(N5CCCCC5)nn4c(=O)c23)C1 628583 DUSDQLITXYLXCJ-CQSZACIVSA-N 404.539 4.573 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 786517 UUQQDPAUPUZHMV-UHFFFAOYSA-N 408.863 4.618 5 50 HJBA CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)C[C@@H](C)CC5)CC1 3339060 VHHSNUSPOOFLGN-HNNXBMFYSA-N 418.566 4.819 5 50 HJBA COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@@H]21 216139742 CWRAWRAZZSEDNZ-REWPJTCUSA-N 401.422 4.846 5 50 HJBA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] 5102490 MCUQNGWMAVDSOO-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] 5027972 SUMXDKDPDQFUNT-UHFFFAOYSA-N 403.866 4.890 5 50 HJBA C[C@@H](c1ccccc1)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccccc1 1674958 LEEYKTWGHHBAOC-YCRPNKLZSA-N 405.406 4.995 5 50 HJBA O=C1N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 4702411 NWGMWDLBDNVMEO-WJDWOHSUSA-N 409.785 4.606 5 50 HJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 1156674 RYEGNCFLXRVGFM-UHFFFAOYSA-N 407.357 4.560 5 50 HJBA O=C(COC(=O)c1ccco1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 1170991 ZXKQSBUIFXGCBO-UHFFFAOYSA-N 401.758 4.673 5 50 HJBA COc1cc(CN(CCc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])cc1OC 23281837 WQXWZXDZTSROFN-UHFFFAOYSA-N 406.482 4.857 5 50 HJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 1206723 QKJIQGBJUWJYMP-UHFFFAOYSA-N 421.434 4.595 5 50 HJBA COC(=O)c1c(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])sc2c1CCCCC2 13153231 ZWPGINLNSOSFIM-UHFFFAOYSA-N 423.491 4.660 5 50 HJBA aggregator COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 15837685 RAZAQMLNFGAZQS-UHFFFAOYSA-N 415.858 4.537 5 50 HJBA Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)o1 5441682 ATODHDPKLIVRHF-IBGZPJMESA-N 408.435 4.920 5 50 HJBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N(Cc1ccccc1)c1ccccc1 2872695 FELNOFVIAUAEOX-UHFFFAOYSA-N 400.390 4.548 5 50 HJBA COc1ccc([C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 1132998 DUGBJYYJNCDOQE-FQEVSTJZSA-N 406.438 4.773 5 50 HJBA aggregator CCCOc1ccc([C@@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OC 2471687 KMGSKGITAQQSSQ-IBGZPJMESA-N 420.259 4.998 5 50 HJBA O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Cl 3878711 IDSNVHUZKXZTAA-CQSZACIVSA-N 423.083 4.786 5 50 HJBA Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C 1109231 IIMINNONWULIKT-UHFFFAOYSA-N 404.422 4.726 5 50 HJBA O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 1150209 DSETVCVCEGLVMQ-UHFFFAOYSA-N 401.850 4.563 5 50 HJBA CCc1sc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])nc1-c1ccccc1 1124373 HTIROOJMFAAMOC-UHFFFAOYSA-N 413.455 4.550 5 50 HJBA O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 2881148 OKHVYXRFZORIEQ-UHFFFAOYSA-N 410.813 4.858 5 50 HJBA Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])cc1C 16268009 RFWMRHMWILQRIA-MXXWWZHRSA-N 424.456 4.608 5 50 HJBA O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc([N+](=O)[O-])c1 1170804 RRANFOZIFUSKLK-UHFFFAOYSA-N 412.401 4.850 5 50 HJBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 4550549 MCNFUIAAIRZXOT-UHFFFAOYSA-N 405.479 4.548 5 50 HJBA aggregator CC[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4578095 ODSYFWGBTKBMKT-VLZNNYHMSA-N 412.939 4.522 5 50 HJBA Cc1c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 1127521 SSPXHMWWBGJBTR-UHFFFAOYSA-N 405.479 4.548 5 50 HJBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1154170 AGSWKRGRAVZHQO-UHFFFAOYSA-N 401.378 4.669 5 50 HJBA Cc1cc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(C)c1Br 1159486 ZONKQDKWFNJWEO-UHFFFAOYSA-N 404.220 4.603 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@H](C)C2 687061 BANLJESPLPQYPH-NSHDSACASA-N 402.472 4.519 5 50 HJBA O=C(Nc1ccc(OCC(F)(F)C(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 947649 YSVRWOVBMZCKRE-UHFFFAOYSA-N 406.719 4.780 5 50 HJBA COc1ccc2nc(N3C(=O)CS[C@H]3c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 12371491 GVYVADJANFWZAQ-INIZCTEOSA-N 421.887 4.645 5 50 HJBA CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cccs1 1904234 RRABKTHWIWZNDJ-UHFFFAOYSA-N 402.453 4.814 5 50 HJBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccco2)cc1 1151573 RQMBYUZOUWZKTB-ONNFQVAWSA-N 411.801 4.745 5 50 HJBA aggregator O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 7003040 UYGHWOUGBGIJRD-YVLHZVERSA-N 412.760 4.992 5 50 HJBA Cc1onc(-c2ccccc2Cl)c1C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 253389782 FPVGTJGAJPZJET-IRYIGKPUSA-N 403.930 4.869 5 50 HJBA biogenic O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1218280 QBNJHYRVEMBZNT-UHFFFAOYSA-N 408.254 4.650 5 50 HJBA O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2)o1 1206004 DETUCXLREIAQIE-UHFFFAOYSA-N 401.831 4.635 5 50 HJBA O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 1452531 SCXGNKTVAMPOGP-CQSZACIVSA-N 423.083 4.786 5 50 HJBA O=c1c2c3n(c4cc(Cl)c([N+](=O)[O-])cc4c-2nn1-c1ccccc1)CCCCC3 752375 LLWNISYMIXMZGA-UHFFFAOYSA-N 408.845 4.580 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccn2)nc2ccc(C)cc12 1073407 BXQLOHUPNPPQQJ-UHFFFAOYSA-N 414.421 4.774 5 50 HJBA COC(=O)c1c(C)oc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)cc12 1155728 SMGTYHFNFXTZBB-UHFFFAOYSA-N 420.215 4.778 5 50 HJBA C[C@H]1CCN(C)c2ccccc2N1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 170640368 BDCRASIDTOPLFP-AWEZNQCLSA-N 408.483 4.594 5 50 HJBA O=[N+]([O-])c1cc(SCc2ccco2)c2c(C3OCCO3)nn(-c3ccccc3)c2c1 1068568 DNKRINPBSIRLFN-UHFFFAOYSA-N 423.450 4.864 5 50 HJBA Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 4474674 PSPYSXQQDKBXKX-HXUWFJFHSA-N 402.450 4.862 5 50 HJBA aggregator Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3[N+](=O)[O-])C2)c(=O)o1 22017462 SCLKCBLUAIRMPT-IBGZPJMESA-N 408.435 4.920 5 50 HJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3ccccc3F)nc2c1 1206578 SGUQKGXLMKLCKM-UHFFFAOYSA-N 407.357 4.560 5 50 HJBA COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 4056322 CCPMGNCVGKTUPZ-NTEUORMPSA-N 404.422 4.834 5 50 HJBA C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 4820989 BOQWGIDUPSEOBO-QGZVFWFLSA-N 417.465 4.598 5 50 HJBA CC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 12379349 YAJBOVCZITWZKR-XBNAMMGVSA-N 420.425 4.646 5 50 HJBA O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Cl)nc1C(F)(F)F 170610495 KNGYKUCHPATUBE-UHFFFAOYSA-N 424.560 4.677 5 50 HJBA O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]4C=C[C@@H](c5ccccc54)[C@H]32)c([N+](=O)[O-])c1 247352083 WOIFGKFONXIBLL-PWCQDKJGSA-N 416.433 4.887 5 50 HJBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 1110774 UJXGJOJPGZTPQI-UHFFFAOYSA-N 400.481 4.688 5 50 HJBA Cc1ccc(SCc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)cc1 239807487 CSJAKLSSSVMJMS-UHFFFAOYSA-N 410.502 4.905 5 50 HJBA O=[N+]([O-])c1cccc(-c2noc(COc3ccc(Br)cc3Cl)n2)c1 1169082 XBHWTECDBOYQEE-UHFFFAOYSA-N 410.611 4.640 5 50 HJBA CCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1[N+](=O)[O-] 1207501 VZCQKZBGOKLHAO-UHFFFAOYSA-N 418.409 4.757 5 50 HJBA COC(=O)[C@@](F)(c1cc(Cl)ccc1OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1423363 NRAVOLAZWNNNQP-INIZCTEOSA-N 421.730 4.662 5 50 HJBA CCCOc1ccc(-c2csc3ncn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 1912011 KYBPITZLLRJQIJ-UHFFFAOYSA-N 421.478 4.870 5 50 HJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccccc3F)nc2c1 1206062 OCGDSWJXFDPTHV-UHFFFAOYSA-N 407.357 4.560 5 50 HJBA COc1ccc(C[C@@H](C)N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1OC 5032050 FCLQLFNDYSYTIK-JLTOFOAXSA-N 409.486 4.692 5 50 HJBA CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 944905 BXEGGGVNNKQERV-UHFFFAOYSA-N 407.264 4.672 5 50 HJBA CC[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(C(C)=O)cc1 2821335 NWOHZHKRNNNHSW-MRXNPFEDSA-N 415.496 4.917 5 50 HJBA Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2755481 HEUXOHLXFVZFTC-UHFFFAOYSA-N 405.863 4.964 5 50 HJBA Cc1c(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cccc1[N+](=O)[O-] 1111665 CKQLORSBEQBTFE-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA O=[N+]([O-])c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 23243417 FBFXCJOAEITJHH-UHFFFAOYSA-N 409.436 4.785 5 50 HJBA in-vitro O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(Cl)c1 2856155 IDCNQZLVCCNQPD-UHFFFAOYSA-N 415.696 4.883 5 50 HJBA Cc1cc(=O)oc(C)c1C(=O)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2868619 VAXKDRRJHJQIGE-UHFFFAOYSA-N 411.435 4.673 5 50 HJBA Cc1ccc(C2=N/C(=C/c3cc([N+](=O)[O-])ccc3OCc3ccccc3)C(=O)O2)cc1 1118002 LSROHOMWMFPAON-KGENOOAVSA-N 414.417 4.827 5 50 HJBA COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1[N+](=O)[O-] 753034 NLIWSBIHMQYOBV-UHFFFAOYSA-N 419.153 4.637 5 50 HJBA CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CC[C@@H]4CCCC[C@H]4C3)nc21 249698959 WKVMTXJWGZKVOF-HOTGVXAUSA-N 421.505 4.515 5 50 HJBA COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] 1211074 ZRVNZTQTTIDLMY-UHFFFAOYSA-N 421.434 4.838 5 50 HJBA COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 1745210 HLYKXQHRCFUYST-VQHVLOKHSA-N 420.377 4.901 5 50 HJBA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)[C@@H]2C 444294658 NOMLAXKKCCMICX-JKSUJKDBSA-N 412.489 4.838 5 50 HJBA COc1ccc(/C=C2/SC(=S)N=C2O)cc1OCc1ccc([N+](=O)[O-])cc1 993792 DBLKPPFNVIBTQA-CXUHLZMHSA-N 402.453 4.512 5 50 HJBA CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CC[C@H]4CCCC[C@H]4C3)nc21 249698954 WKVMTXJWGZKVOF-CVEARBPZSA-N 421.505 4.515 5 50 HJBA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 2844979 HKWYZLGQMVQYPR-BKUYFWCQSA-N 418.380 4.657 5 50 HJBA CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c1ccc1cc(C)ccc12 5568688 BFCVKOIBNPDHQK-UHFFFAOYSA-N 402.406 4.717 5 50 HJBA COC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCCC2 1200688 SAWRHZIKWBCOET-UHFFFAOYSA-N 408.863 4.618 5 50 HJBA CC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(=O)OC)C1 1217430 ROTYBBMLGNVFME-SNVBAGLBSA-N 422.890 4.864 5 50 HJBA CCCCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 2920866 JCJMQQUYMSOKCK-GOSISDBHSA-N 409.471 4.842 5 50 HJBA O=[N+]([O-])c1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 91290470 BLAMRGGBDBVKNR-UHFFFAOYSA-N 423.463 4.780 5 50 HJBA O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1Cc1ccccc1 6700923 MFWYDBQECHAMCE-UHFFFAOYSA-N 409.493 4.848 5 50 HJBA CCn1c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)nc2ccccc21 657217 USJICSSBSOLIHY-UHFFFAOYSA-N 420.425 4.697 5 50 HJBA aggregator CC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 15659062 YAJBOVCZITWZKR-QTZFEGNUSA-N 420.425 4.646 5 50 HJBA CC1CCN(C(=S)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 1156743 HHKIKOZCXDNPMW-UHFFFAOYSA-N 418.902 4.875 5 50 HJBA CCOC(=O)c1sc2nc3c4ccccc4c(-c4ccccc4)nn3c(=O)c2c1C 719320 KVLWHYIFYRCQKO-UHFFFAOYSA-N 415.474 4.610 5 50 HJBA O=C(N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3118674 RVHLVZIOUQAPDJ-CQSZACIVSA-N 423.083 4.786 5 50 HJBA COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2[N+](=O)[O-])c1 25782365 ZNPMGNOOXNMBEG-FYYLOGMGSA-N 401.422 4.846 5 50 HJBA CCCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 2920509 GIUZSAGYAHXZCT-SFHVURJKSA-N 409.471 4.842 5 50 HJBA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 9489262 AXFMUVLAYBXQIK-QQNJPBSNSA-N 424.456 4.556 5 50 HJBA biogenic Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1Cl 1180278 GIYNRSHMZPRZQN-UHFFFAOYSA-N 421.844 4.851 5 50 HJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 1178879 HQRYFEMVGXTMJB-UHFFFAOYSA-N 405.435 4.889 5 50 HJBA CCOC(=O)c1ccc(NC(=O)CCSc2ccc([N+](=O)[O-])cc2Cl)cc1 5013266 WTTMZBCBOOFTRZ-UHFFFAOYSA-N 408.863 4.546 5 50 HJBA Cc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 1219057 XGSIQFITHSRNIR-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 676028 VBOXRQUQEGKXGI-UHFFFAOYSA-N 410.451 4.979 5 50 HJBA Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2885460 GNXAAHOXKRTLSS-UHFFFAOYSA-N 409.373 4.798 5 50 HJBA Cc1cc(C(=O)Nc2cc(Oc3ccc(Cl)c(C)c3)cc([N+](=O)[O-])c2)n(C)n1 6527809 CDCBRGNCAKDLPH-UHFFFAOYSA-N 400.822 4.643 5 50 HJBA O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1193760 TZODHMUSTSGDQE-MOSHPQCFSA-N 418.380 4.657 5 50 HJBA CCCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 2920507 GIUZSAGYAHXZCT-GOSISDBHSA-N 409.471 4.842 5 50 HJBA CCOC(=O)N=[S@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 17729797 NUCZFLOIDBWRGP-MUUNZHRXSA-N 400.412 4.725 5 50 HJBA C[C@@H]1CC[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1848443927 UJPJTRXXDYFAFJ-KUXJZEBZSA-N 402.447 4.901 5 50 HJBA Cc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1110499 STQVTICGNBQXRN-MRXNPFEDSA-N 404.422 4.806 5 50 HJBA CCOc1ccccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 1210942 PFULEQCVIKRDJE-UHFFFAOYSA-N 404.378 4.586 5 50 HJBA O=C1OC(c2cccs2)=N/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1 1118176 WXUIXEDBCCDLNH-SFQUDFHCSA-N 406.419 4.580 5 50 HJBA O=[N+]([O-])c1ccc(-c2nc(Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 949091 OLLKQDHIILBJCK-UHFFFAOYSA-N 400.394 4.720 5 50 HJBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 9016078 YDYZCFDHSATRHA-UHFFFAOYSA-N 414.676 4.517 5 50 HJBA O=C1OC(c2ccccc2)=N/C1=C\c1cccc(OCc2cccc([N+](=O)[O-])c2)c1 5052446 BRTOIBYQYPPKJZ-STZFKDTASA-N 400.390 4.518 5 50 HJBA CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc21 5065529 VWACJHPSSHYUQN-UHFFFAOYSA-N 401.422 4.630 5 50 HJBA O=C(NC(=S)Nc1cccc2cccnc12)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1065413 NXPHRBIBRATVKP-UHFFFAOYSA-N 418.434 4.530 5 50 HJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nc2ccccc2s1 1115258 UZZARAYDQWLAOF-UHFFFAOYSA-N 405.435 4.889 5 50 HJBA CCC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 1200178 WRPFIBCPCDVJGR-JTQLQIEISA-N 421.906 4.566 5 50 HJBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 2369885 YLMVBSNUYJAVAB-UHFFFAOYSA-N 411.464 4.672 5 50 HJBA CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1[N+](=O)[O-] 22135466 URRVUGXTRWOMPL-UHFFFAOYSA-N 419.393 4.760 5 50 HJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccc(F)c3)nc2c1 1208029 LVRQSDIESFDAHA-UHFFFAOYSA-N 407.357 4.560 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](CC)C2 4558420 JZXIJOYJQUFQQY-GFCCVEGCSA-N 402.472 4.600 5 50 HJBA O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1ccc(Br)cc1 934431 BSTNDTFEBXYPQF-UHFFFAOYSA-N 418.272 4.657 5 50 HJBA O=C(CSc1nc2ccccc2n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 1130759 FOCZTJDDUVYZRC-UHFFFAOYSA-N 403.463 4.968 5 50 HJBA CCc1ccc(C(=O)COC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1165151 YGJAGURVMMEBIQ-UHFFFAOYSA-N 405.406 4.989 5 50 HJBA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9355132 ITJOYPLXBPQXDN-UHFFFAOYSA-N 421.884 4.878 5 50 HJBA O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2)c1ccc([N+](=O)[O-])cc1 1081038 AGJIHFNUTQMJOR-UHFFFAOYSA-N 407.451 4.650 5 50 HJBA Cc1ccc(Cl)c(OCn2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)c1 2798617 ITLMXRFQBXRIFT-UHFFFAOYSA-N 421.240 4.695 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 16474771 OANHFHPJDBABKA-UHFFFAOYSA-N 415.858 4.537 5 50 HJBA COc1ccc(-c2cs/c(=N\Cc3cccnc3)n2-c2ccc([N+](=O)[O-])cc2)cc1 101137360 TUHLUULSPUKHEF-GYHWCHFESA-N 418.478 4.619 5 50 HJBA Cc1c(O)ccc2c1oc1c(-c3cc4cccc5c4n(c3=O)CCC5)c3cn[nH]c3nc12 217717447 YFKOGVAMZZMMRI-UHFFFAOYSA-N 422.444 4.799 5 50 HJBA biogenic O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4759878 KYFAVMCNCWVHGH-UHFFFAOYSA-N 417.421 4.583 5 50 HJBA COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2ccccc2[N+](=O)[O-])n1 9013969 PNPXJAOEJSCGDI-UHFFFAOYSA-N 416.393 4.573 5 50 HJBA O=[N+]([O-])c1cccc(N2Cc3cc4c(cc3C2)CN(c2cccc([N+](=O)[O-])c2)C4)c1 2920796 AEODXNTWSHSJRG-UHFFFAOYSA-N 402.410 4.543 5 50 HJBA Cc1ccc(C)c(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 971156 AKBOHCFFEVFRSD-MRXNPFEDSA-N 416.692 4.750 5 50 HJBA C[C@H](Nc1cc(N2C[C@@H](C)N[C@H](C)C2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4143251 KWHRYUWXQQAQKL-VWIHTPTLSA-N 412.578 4.798 5 50 HJBA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 230209881 NJTBPTINBLYOMG-SXGZJXTBSA-N 423.494 4.709 5 50 HJBA Cc1c(NC(=O)COc2ccc3ccccc3c2Br)cccc1[N+](=O)[O-] 1171457 GJAKLFDHCVZZSF-UHFFFAOYSA-N 415.243 4.836 5 50 HJBA O=[N+]([O-])c1c(N2CCCCC2)c(F)c(N2CCCCC2)c(F)c1N1CCCCC1 4733696 WFYJITNZNOUVHB-UHFFFAOYSA-N 408.493 4.844 5 50 HJBA Cc1cc([N+](=O)[O-])ccc1N[C@@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl 4797692 WTFNZZDKRWDNPJ-ZDUSSCGKSA-N 408.694 4.503 5 50 HJBA O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccc(Cl)c(C(F)(F)F)c1 22607818 AUDMRKJWGFJOPP-UHFFFAOYSA-N 414.774 4.859 5 50 HJBA CCN(C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc2c(c1)OCO2 655148 GLEKTWNBKTVVTF-UHFFFAOYSA-N 404.831 4.858 5 50 HJBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1CCN(CCc2ccccc2)CC1 5032046 INQLGBNCSRSMMK-DEOSSOPVSA-N 418.541 4.750 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(OCc2ccccc2)cc1 5041969 XFFRWOQRDFEXJA-UHFFFAOYSA-N 409.467 4.991 5 50 HJBA CC(=O)Nc1ccc(Nc2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)cc1 5067002 RYKIKZDRYGCGCJ-UHFFFAOYSA-N 414.421 4.601 5 50 HJBA COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3[N+](=O)[O-])C2)c1 225849557 SMUYQANYTQXRKX-IBGZPJMESA-N 407.451 4.656 5 50 HJBA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1153299 DFLUURMMSHWWRB-QMMMGPOBSA-N 412.254 4.917 5 50 HJBA Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1[N+](=O)[O-] 1207313 JQBZQFNQNOREND-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA Cc1ccc(C)c(N[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 973379 AXIHBEALLFZARK-MRXNPFEDSA-N 416.692 4.750 5 50 HJBA Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C 5090829 ZHRRUBWGGTYGFK-CYBMUJFWSA-N 419.909 4.798 5 50 HJBA C[C@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 2825974 XUPNLKDYUUFSPL-IRXDYDNUSA-N 417.465 4.577 5 50 HJBA O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1 878047 HZVOVRGGJYGFHB-UHFFFAOYSA-N 418.434 4.530 5 50 HJBA COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 1065185 YVHGQDIRQZJHCV-UHFFFAOYSA-N 403.394 4.972 5 50 HJBA Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)oc2c1 1172700 PMDIUQZKJPDDCZ-UHFFFAOYSA-N 403.394 4.729 5 50 HJBA O=[N+]([O-])c1cc(-c2nn(-c3ccccc3)c(=S)n2-c2ccccc2)cc([N+](=O)[O-])c1 25693897 OXMNVMGKAXHGOW-UHFFFAOYSA-N 419.422 4.876 5 50 HJBA Cc1csc([C@@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CCO2)n1 170609229 GGYSSWSJCZKBJM-ZDUSSCGKSA-N 407.801 4.610 5 50 HJBA Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)c(C)c1 1120402 IELFIVZXISEUAN-UHFFFAOYSA-N 411.483 4.895 5 50 HJBA Cc1nn(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccc(Cl)cc1 1191016 OGYXYUDBRSRXBV-UHFFFAOYSA-N 417.874 4.932 5 50 HJBA CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 2920868 JCJMQQUYMSOKCK-SFHVURJKSA-N 409.471 4.842 5 50 HJBA Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 2779391 ARAYTYXGRUJKDD-UHFFFAOYSA-N 405.241 4.707 5 50 HJBA CCc1cc(N2C[C@H](C)O[C@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 170593749 VDJXJDSKRDHJGD-KKSFZXQISA-N 404.470 4.581 5 50 HJBA Cc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1112077 WZZQTFDVWNBVOA-MRXNPFEDSA-N 404.422 4.806 5 50 HJBA Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 1206830 ZNMAMEQFEHVXCT-ZHACJKMWSA-N 400.394 4.758 5 50 HJBA O=C(COc1ccc(-c2ccccc2)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 1777513 KWMQMXQFZHCMQV-UHFFFAOYSA-N 405.435 4.889 5 50 HJBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccco2)c1 1166502 IYSRGUYQTULGAK-VQHVLOKHSA-N 411.801 4.745 5 50 HJBA aggregator COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1175513 WEPYTQABXZNYIH-UHFFFAOYSA-N 414.421 4.708 5 50 HJBA CCc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4041900 USRGYDHQEWZUJN-UHFFFAOYSA-N 407.264 4.717 5 50 HJBA O=C1OC(c2ccco2)=N/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 1117864 WLCOVNYUMUWDIT-GZTJUZNOSA-N 424.796 4.765 5 50 HJBA Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 1206967 MERNOVKXELXNRY-UHFFFAOYSA-N 403.394 4.729 5 50 HJBA CCOc1ccc(-c2nc(-c3cc4cc([N+](=O)[O-])c(O)cc4oc3=O)cs2)cc1 4636377 YHGRCGZFQAVSIE-UHFFFAOYSA-N 410.407 4.596 5 50 HJBA Cc1cccc([C@]2(F)CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)c1 1875256781 OGNDJJJZRWGABP-VWLOTQADSA-N 400.453 4.701 5 50 HJBA CC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 12379351 YAJBOVCZITWZKR-ZBMKRUMQSA-N 420.425 4.646 5 50 HJBA Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 1220639 ANIFZNGNMPUHFH-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA CCOc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c([N+](=O)[O-])c1 4611757 YXVWORPZXUSYJT-UHFFFAOYSA-N 401.806 4.863 5 50 HJBA O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]4C[C@@H](c5ccccc54)[C@H]32)c([N+](=O)[O-])c1 247362394 ZYKCQLAVMFDENX-BLQWBTBKSA-N 404.422 4.721 5 50 HJBA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 1009061 XMMYBHVBOXOSAT-UHFFFAOYSA-N 410.451 4.676 5 50 HJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 1141923 UBWBQUDYYCYCRJ-UHFFFAOYSA-N 407.430 4.669 5 50 HJBA O=c1c2ccccc2c2nc3c(c(-c4ccc([N+](=O)[O-])cc4)c12)c(=O)c1ccccc13 2896027 UWQDWTNMZYEVFK-UHFFFAOYSA-N 404.381 4.866 5 50 HJBA Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)cc1[N+](=O)[O-] 1116950 CKMXCPOHWRRDDI-KCRWFKQWSA-N 424.456 4.690 5 50 HJBA O=C(Nc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1)c1ccccc1 1134636 DARQWJCDVGXSBI-UHFFFAOYSA-N 418.434 4.709 5 50 HJBA O=C1OC(c2cccs2)=N/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 1193140 ICPMYSMXPOVUGZ-PDGQHHTCSA-N 406.419 4.580 5 50 HJBA CCOc1ccc(NC(=O)c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 3880279 IIWWIDUSFZCRRI-UHFFFAOYSA-N 422.397 4.898 5 50 HJBA COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4660149 YPWDOGOPNRXSNB-LAUBAEHRSA-N 407.451 4.907 5 50 HJBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9720482 JJYFYWRAHYISGN-UHFFFAOYSA-N 414.676 4.517 5 50 HJBA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 2850220 HQTWATSWIKFHGS-MTJSOVHGSA-N 418.380 4.657 5 50 HJBA COc1cccc2c1O[C@H](c1cccc([N+](=O)[O-])c1)N1N=C(c3ccccc3)C[C@@H]21 12193249 IBKVVEYALGFSOS-NZQKXSOJSA-N 401.422 4.846 5 50 HJBA Cc1cc(O[C@@H](C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc(C)c1Cl 935626 LLYNUQFLGROQCV-NSHDSACASA-N 405.863 4.881 5 50 HJBA O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 1078970 CQNPULRNUHHDHM-UHFFFAOYSA-N 419.364 4.769 5 50 HJBA COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 1109104 VROVCVCAVSELOC-HNNXBMFYSA-N 420.421 4.506 5 50 HJBA COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] 1145978 JHEUPPYGOHEVEH-UHFFFAOYSA-N 408.254 4.893 5 50 HJBA O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(-c2nnc(-c3ccccc3)o2)c1 1125495 NRWKJRNVGXMYDJ-UHFFFAOYSA-N 401.378 4.669 5 50 HJBA COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1[N+](=O)[O-] 1158802 FEBXKTQGEQUSTI-UHFFFAOYSA-N 403.394 4.972 5 50 HJBA CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1 1152256 JOYDGICCRNYPGZ-UHFFFAOYSA-N 407.451 4.957 5 50 HJBA Cc1cc(Cl)ccc1O[C@@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 2845055 LVXMFAWSJKXYII-NSHDSACASA-N 418.862 4.800 5 50 HJBA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6975213 GFUNFAXMJBGDOU-YVLHZVERSA-N 412.760 4.992 5 50 HJBA CC(=O)Oc1cccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 1175586 HFEXCHWBXPITIH-UHFFFAOYSA-N 408.435 4.924 5 50 HJBA CC(=O)Oc1cc2sc3cc(C)ccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 4310754 SPUPRFZMNKGCSP-UHFFFAOYSA-N 401.443 4.643 5 50 HJBA biogenic O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1 4873281 GRQLVSHGQVCTGY-UHFFFAOYSA-N 416.481 4.827 5 50 HJBA O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccc([N+](=O)[O-])cc1Cl 4998692 BCRBEBLMOYZGGZ-DHZHZOJOSA-N 404.813 4.513 5 50 HJBA O=C(O[C@@]12[C@H]3CC[C@@H](C3)[C@@H]1[C@H]1C[C@H]2c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 247337181 RACLCRFCTKUEHG-GAUINIFFSA-N 420.421 4.729 5 50 HJBA C[C@H](c1ccccc1)[C@H](OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-])c1ccccc1 3136992 FKTPPXQXZGIADR-VFNWGFHPSA-N 405.406 4.995 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 4689098 IBFFOJLURBNHSL-UHFFFAOYSA-N 405.621 4.581 5 50 HJBA Cc1ccc(OCc2ccc(C(=O)NCc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 2762731 UPAGNGOEIDOQQZ-UHFFFAOYSA-N 400.818 4.659 5 50 HJBA O=C(N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 808653 SPPWGUIUBGEECQ-CQSZACIVSA-N 423.083 4.786 5 50 HJBA COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1 824719 QSGRJOAYQSBJBW-UHFFFAOYSA-N 419.393 4.673 5 50 HJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 1155136 AEDRQNFOPNUNSQ-UHFFFAOYSA-N 407.357 4.560 5 50 HJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 20363548 CLSFVMWBQKWXIJ-UHFFFAOYSA-N 401.466 4.714 5 50 HJBA O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 229950568 IVXTXTKDOXPLHH-NMIHRBCNSA-N 402.475 4.644 5 50 HJBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1 31318658 GNVDAZSPJWCIQZ-UHFFFAOYSA-N 415.176 4.721 5 50 HJBA in-vitro COc1cccc(C(=O)Nc2nc3ccccc3n2[C@H](C)c2ccccc2)c1[N+](=O)[O-] 1875264300 SYAVFLQKUHOOJG-OAHLLOKOSA-N 416.437 4.815 5 50 HJBA O=C(Nc1ccc(N2CCCCC2)cc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 4998918 PQNGCJUWIDJAAD-UHFFFAOYSA-N 408.502 4.828 5 50 HJBA Cc1ccccc1OCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1167157 NYDJTIZVJWLHLC-UHFFFAOYSA-N 421.405 4.500 5 50 HJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1c(Cl)cccc1Cl 2818320 RYVGOUWFJQCQDU-BQYQJAHWSA-N 411.310 4.964 5 50 HJBA Cc1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)NC2CCCCC2)c1C 4750485 RZYQDCZFEKSPOQ-UHFFFAOYSA-N 401.488 4.588 5 50 HJBA O=C(O[C@]12[C@H]3CC[C@@H](C3)[C@H]1[C@H]1C[C@H]2c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 247337210 RACLCRFCTKUEHG-ZKRAKHHLSA-N 420.421 4.729 5 50 HJBA CCC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1 1201024 XLUANCUFMVYAGM-JTQLQIEISA-N 421.906 4.566 5 50 HJBA CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 3002606 SSICLTOHZBYXQC-UHFFFAOYSA-N 421.247 4.567 5 50 HJBA COc1ccc([C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 1132999 DUGBJYYJNCDOQE-HXUWFJFHSA-N 406.438 4.773 5 50 HJBA aggregator O=C1OC(c2cccs2)=N/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 5052504 ZQKIRJDCKYSZQR-PDGQHHTCSA-N 406.419 4.580 5 50 HJBA O=[N+]([O-])c1ccc(Oc2ccnc3c2ccn3-c2ccc([N+](=O)[O-])cc2F)c(F)c1 1772718326 PZKXKRKPMDEHBZ-UHFFFAOYSA-N 412.308 4.912 5 50 HJBA COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(C)cc1)C(=O)C2 2916974 VPQQMRJUVHCUDF-XMMPIXPASA-N 418.449 4.599 5 50 HJBA O=C(Nc1ccc(Br)c2cccnc12)c1ccc([N+](=O)[O-])cc1Cl 1164565 XTUBFHYRTVJKFM-UHFFFAOYSA-N 406.623 4.811 5 50 HJBA O=C(COc1ccc2ccccc2c1Br)Nc1ccc([N+](=O)[O-])cc1 4674912 VXGIKAOQAJMJCC-UHFFFAOYSA-N 401.216 4.528 5 50 HJBA COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1[N+](=O)[O-] 1146309 SWNIADKITULBJT-UHFFFAOYSA-N 403.394 4.972 5 50 HJBA C[C@H](c1ccccc1)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccccc1 1674957 LEEYKTWGHHBAOC-VFNWGFHPSA-N 405.406 4.995 5 50 HJBA O=[N+]([O-])c1cccc(NC(Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 1603100 DJLVKUWYCSXXAI-UHFFFAOYSA-N 405.625 4.723 5 50 HJBA COc1cccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)c1 248182513 FIJUYMJOTUDCJO-GGAORHGYSA-N 401.422 4.846 5 50 HJBA Cc1cc2nc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)oc2cc1C 1210896 UCLPVSYXQVYYCA-UHFFFAOYSA-N 403.394 4.978 5 50 HJBA CCc1c(C)sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)OC(C)C 1200547 VHXRHOHFYDEMPD-UHFFFAOYSA-N 410.879 4.998 5 50 HJBA O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccc(F)cc1 2872053 IKCCYLXUBLBFLV-UHFFFAOYSA-N 402.454 4.906 5 50 HJBA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 239403097 RMKPVCUPXRAUOI-GMAHTHKFSA-N 401.422 4.846 5 50 HJBA COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] 1209894 JYYPMDUBGVFBEU-UHFFFAOYSA-N 424.800 4.712 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 16362044 YSVHABWBTQMJJU-UHFFFAOYSA-N 416.389 4.629 5 50 HJBA O=C(Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc12)c1ccc2c(c1)OCO2 1089598 GEIYUQTYQUFORQ-UHFFFAOYSA-N 402.362 4.989 5 50 HJBA CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(=O)OC)C1 1217429 ROTYBBMLGNVFME-JTQLQIEISA-N 422.890 4.864 5 50 HJBA Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2cccc(C)c2)cc1 4819579 AALQHKMSKRSZSS-PXLXIMEGSA-N 415.449 4.621 5 50 HJBA Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 897304 HPIAZVVKWDGLEO-UHFFFAOYSA-N 403.467 4.838 5 50 HJBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](CC)C2 1217683 NICMLZZPKWLCHF-LBPRGKRZSA-N 402.472 4.600 5 50 HJBA COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 8738916 CTJSZLMDSAQGNV-UHFFFAOYSA-N 417.215 4.878 5 50 HJBA COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 1187009 ZUVSQCKCPGWHPP-QFIPXVFZSA-N 418.449 4.557 5 50 HJBA O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc([N+](=O)[O-])cc1 9289616 MBICLHXPXVMIRY-UHFFFAOYSA-N 410.238 4.927 5 50 HJBA COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 989817 DZGOAXTZJVRQFT-UHFFFAOYSA-N 403.394 4.972 5 50 HJBA CCC(=O)Oc1ccc(/C=C/c2ccc3cccc(OC(=O)CC)c3n2)cc1[N+](=O)[O-] 15016680 PEJOMILIXSQQJL-DHZHZOJOSA-N 420.421 4.944 5 50 HJBA Cc1cc(O[C@H](C)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc(C)c1Cl 935627 LLYNUQFLGROQCV-LLVKDONJSA-N 405.863 4.881 5 50 HJBA Cc1cc(C(F)(F)Cl)nc2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(N)c12 13959565 VTAYWNDXQJUOBW-UHFFFAOYSA-N 412.805 4.636 5 50 HJBA COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 170618978 PUSKRQCKMPAHMR-AVRDEDQJSA-N 405.410 4.747 5 50 HJBA CCc1cc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 252587018 VDJXJDSKRDHJGD-HRAATJIYSA-N 404.470 4.581 5 50 HJBA COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1[N+](=O)[O-] 1210636 IVYBOXRTPRNCKG-UHFFFAOYSA-N 421.434 4.838 5 50 HJBA O=[N+]([O-])c1ccc(Oc2ccc(/C=C3/SC(=S)N=C3O)cc2)c([N+](=O)[O-])c1 2912822 NYJNYDIKKAUJBU-VGOFMYFVSA-N 403.397 4.624 5 50 HJBA O=C(Nc1nc(-c2ccccc2)cs1)c1cc([N+](=O)[O-])ccc1Br 1202241 DDFJKVYJKKCSOD-UHFFFAOYSA-N 404.245 4.733 5 50 HJBA Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 1215401 QSICZFXTVUSQFP-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA CCOC(=O)c1c(NSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2 2584071 WLCOAVNQQHKSHK-UHFFFAOYSA-N 423.472 4.739 5 50 HJBA CC(C)(C)[C@@H]1CCc2nc(N)c3c(=O)oc4ccc(Br)cc4c3c2C1 2882298 GYNYIGPHFZCBMG-SNVBAGLBSA-N 401.304 4.837 5 50 HJBA O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1nc(-c2ccccc2)cs1 8927308 IHFRRMHIESDHBT-RMKNXTFCSA-N 417.393 4.972 5 50 HJBA Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)cc1 12461883 ZKLAFOWASQLPTC-UHFFFAOYSA-N 415.854 4.620 5 50 HJBA Cc1nc(N[C@@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)ccc1[N+](=O)[O-] 170616196 ZDPQNYVNXKKYED-NSHDSACASA-N 402.252 4.624 5 50 HJBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 2857834 GGVJKXXIIQWAJS-UHFFFAOYSA-N 406.229 4.790 5 50 HJBA Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C 5090828 ZHRRUBWGGTYGFK-ZDUSSCGKSA-N 419.909 4.798 5 50 HJBA COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 1110825 FZWRBCGSPIEGCF-UHFFFAOYSA-N 414.421 4.708 5 50 HJBA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1cc(C)c1ccccc12 5568665 RQUQBDPXPMLREY-UHFFFAOYSA-N 402.406 4.717 5 50 HJBA O=[N+]([O-])c1ccc(Oc2cccc(/C=C3/SC(=S)N=C3O)c2)c([N+](=O)[O-])c1 2911019 NJJKMLKEWRZUDT-VGOFMYFVSA-N 403.397 4.624 5 50 HJBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)C[C@@H](C)N1 13361695 KWHRYUWXQQAQKL-QTWZFXRHSA-N 412.578 4.798 5 50 HJBA O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 4869915 BPDPMVYLYADQAH-UHFFFAOYSA-N 409.829 4.682 5 50 HJBA Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 2102600 UTPBEFWTLGZGJG-UHFFFAOYSA-N 411.370 4.544 5 50 HJBA CCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12 2870302 OHOIAMSTMYDCSF-HSZRJFAPSA-N 406.438 4.679 5 50 HJBA CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C12CC3CC(CC(C3)C1)C2 4578098 KYDNOCNKZLBOST-VLZNNYHMSA-N 412.939 4.522 5 50 HJBA COc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c1 5073431 QLCZTGAXBLNMGS-UHFFFAOYSA-N 408.254 4.893 5 50 HJBA O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N=C2O)c1 16214032 IQCTUILPNRVICQ-YBEGLDIGSA-N 408.464 4.777 5 50 HJBA CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2C(N)=O)C1 1200180 WRPFIBCPCDVJGR-SNVBAGLBSA-N 421.906 4.566 5 50 HJBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSCc1ccc(Cl)cc1 2985265 LOWBBNJYXFJVDK-UHFFFAOYSA-N 410.948 4.531 5 50 HJBA CCCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC)c(Cl)cc12 1154726 XTMSWYQWSYHJBK-UHFFFAOYSA-N 403.818 4.895 5 50 HJBA O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 2859609 ACOBGGOFXRPBSE-UHFFFAOYSA-N 401.378 4.669 5 50 HJBA CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 225735665 YETXABURLMYIIA-WOJBJXKFSA-N 402.516 4.583 5 50 HJBA Cc1cc(C)n(-c2nn3c(=O)c4c(-c5ccccc5)csc4nc3c3ccccc23)n1 628573 SEOGYBASUJWGHN-UHFFFAOYSA-N 423.501 4.927 5 50 HJBA CCOc1ccc(C(=O)NC(=S)Nc2ccc([C@H](C)CC)cc2)cc1[N+](=O)[O-] 1173274 SOVSJUDFRWERBN-CYBMUJFWSA-N 401.488 4.634 5 50 HJBA O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1232869 ITACKRSNGALVGA-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)o2)cc1 4986201 YMFYFEJLPATYIC-QPJJXVBHSA-N 403.482 4.686 5 50 HJBA Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3O)nc2c1 1208980 YFVAYMWJYDWLRY-UHFFFAOYSA-N 403.394 4.978 5 50 HJBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccc(C(F)(F)F)c1 1170811 MHKZRNJPDBQRDT-UHFFFAOYSA-N 413.402 4.954 5 50 HJBA Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 731932 IZKNAPRUQYPEHE-UHFFFAOYSA-N 403.463 4.895 5 50 HJBA aggregator Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 2858896 BZKWCHSZSZIEAV-UHFFFAOYSA-N 417.828 4.893 5 50 HJBA COc1cccc(C2=NN3[C@H](c4ccccc4[N+](=O)[O-])Oc4ccccc4[C@H]3C2)c1 248266563 ZNPMGNOOXNMBEG-GGAORHGYSA-N 401.422 4.846 5 50 HJBA COc1ccccc1NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 13153036 UHWPTFAYCRKKQR-UHFFFAOYSA-N 414.490 4.775 5 50 HJBA Cc1ccc(C)c(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 973380 AXIHBEALLFZARK-INIZCTEOSA-N 416.692 4.750 5 50 HJBA COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 1200508 HIRZDWYEZHHIKN-LBPRGKRZSA-N 416.499 4.846 5 50 HJBA COC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccccc3)c2c1NC(C)=O 3618744 DWZMXDXGGCCWBO-UHFFFAOYSA-N 416.480 4.847 5 50 HJBA Cc1cccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)c1 1208396 RFIXAXNMLXGAJP-UHFFFAOYSA-N 403.394 4.729 5 50 HJBA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 4703746 KLMSRPYKJVROON-UHFFFAOYSA-N 417.937 4.503 5 50 HJBA Cc1cc(=O)oc2cc(OC(=O)CCSc3ccc([N+](=O)[O-])cc3Cl)ccc12 2844383 LQPCDJCVNZBIFP-UHFFFAOYSA-N 419.842 4.751 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nn(Cc2c(F)cccc2Cl)cc1Cl 16346326 OXWUEPNOYDBZPY-UHFFFAOYSA-N 424.219 4.930 5 50 HJBA COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1[N+](=O)[O-] 1228537 ZHNAEGVKVYYWNN-UHFFFAOYSA-N 403.394 4.972 5 50 HJBA COc1cccc2c1O[C@H](c1cccc([N+](=O)[O-])c1)N1N=C(c3ccccc3)C[C@H]21 4871819 IBKVVEYALGFSOS-NFBKMPQASA-N 401.422 4.846 5 50 HJBA CCc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(Br)c1 1139648 CORZIHLSJGRDJU-UHFFFAOYSA-N 404.220 4.549 5 50 HJBA COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1[N+](=O)[O-] 675457 NDVJOQSUNZQSLI-UHFFFAOYSA-N 403.394 4.972 5 50 HJBA O=C(c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 4759770 WPIQWSWMQDUVMI-UHFFFAOYSA-N 401.466 4.842 5 50 HJBA Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(C)cc2)cc1 1150525 PGHZTJUXMRHUDO-PXLXIMEGSA-N 415.449 4.621 5 50 HJBA O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1cccc([N+](=O)[O-])c1 2844453 JNVRYTBDAPGUKM-UHFFFAOYSA-N 406.876 4.644 5 50 HJBA aggregator COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(OC(F)F)c(Cl)c1 5041703 VRKJTOFTBBOIGT-UHFFFAOYSA-N 403.794 4.667 5 50 HJBA COc1ccccc1-c1coc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1=O 1127550 LYWIALYPOHUTGT-UHFFFAOYSA-N 417.373 4.596 5 50 HJBA biogenic O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1CCN(CCc2ccccc2)CC1 5032042 INQLGBNCSRSMMK-XMMPIXPASA-N 418.541 4.750 5 50 HJBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1875389612 VFXJMLDBXZKDNW-LLVKDONJSA-N 412.248 4.764 5 50 HJBA O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1175352 NHSKTDAGILXFQP-UHFFFAOYSA-N 404.662 4.682 5 50 HJBA COc1cc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)oc(=O)c2cc1OC 713433 UYTVZDFCFCYTEQ-UHFFFAOYSA-N 420.377 4.573 5 50 HJBA Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)cc1[N+](=O)[O-] 1116951 CKMXCPOHWRRDDI-CBGCIVQGSA-N 424.456 4.690 5 50 HJBA O=C(Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1)c1ccco1 1172939 LYZZSPZISSGWQW-UHFFFAOYSA-N 417.377 4.952 5 50 HJBA Cc1ccc(Oc2ccc(NC(=O)c3c(C(=O)O)cccc3[N+](=O)[O-])cc2)cc1C 754616 YIDASSWPWFPAID-UHFFFAOYSA-N 406.394 4.954 5 50 HJBA COC(=O)c1ccc(COC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1108325 ORTKCRMJCFVWGE-UHFFFAOYSA-N 407.378 4.531 5 50 HJBA CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCC2 1200759 RZTRTXPIEZYZDV-UHFFFAOYSA-N 408.863 4.618 5 50 HJBA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4703767 MGSMRLNKOXSJKI-UHFFFAOYSA-N 417.937 4.503 5 50 HJBA O=c1c(Cl)c(N2CCC[C@H](c3ccccc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 170620641 WTXWLZZRWRRXMY-KRWDZBQOSA-N 424.888 4.568 5 50 HJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCCCC1 2871331 IGRSPNSGMNWKRG-UHFFFAOYSA-N 423.391 4.621 5 50 HJBA CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 225735688 YETXABURLMYIIA-VQTJNVASSA-N 402.516 4.583 5 50 HJBA COC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 1009060 DAWKTDHSAANMHE-UHFFFAOYSA-N 410.451 4.979 5 50 HJBA O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5063767 YCTRMGKTWRUKAR-UHFFFAOYSA-N 409.829 4.682 5 50 HJBA CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 253419516 ZRKNNGANLQDVHM-UHFFFAOYSA-N 410.817 4.521 5 50 HJBA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 25782270 FIJUYMJOTUDCJO-JTHBVZDNSA-N 401.422 4.846 5 50 HJBA COc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccc([N+](=O)[O-])cc4[C@H]3C2)cc1 239415276 UCOVRFHFHHQFHH-GGAORHGYSA-N 401.422 4.846 5 50 HJBA Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 4474676 PSPYSXQQDKBXKX-FQEVSTJZSA-N 402.450 4.862 5 50 HJBA aggregator C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)C[C@@H](C)N1 13361693 KWHRYUWXQQAQKL-KDXMYJBKSA-N 412.578 4.798 5 50 HJBA COc1ccc([N+](=O)[O-])cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1172034 GNDWQUATAISNGY-UHFFFAOYSA-N 403.390 4.956 5 50 HJBA aggregator O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 1195917 PCWUBRSIRHXRSG-UHFFFAOYSA-N 404.831 4.841 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19309270 BDZXXRVHKUFKRP-UHFFFAOYSA-N 416.481 4.534 5 50 HJBA Cc1nc(C)c([C@H](C)N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 170622618 ITQUVDFYEDTTMT-NSHDSACASA-N 402.501 4.625 5 50 HJBA C[C@H]1CCc2c(sc3nc4c5ccccc5c(NCc5ccco5)nn4c(=O)c23)C1 628621 AHTKGASRKOYSIN-ZDUSSCGKSA-N 416.506 4.787 5 50 HJBA CC1CCN(C(=S)c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 1160893 IECGXIBNPBHJIR-UHFFFAOYSA-N 418.902 4.875 5 50 HJBA C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4821165 ZDNAAHPYBPUWQW-QGZVFWFLSA-N 417.465 4.598 5 50 HJBA CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 5065567 KOSMYOKIFSRFGR-VQTJNVASSA-N 410.470 4.646 5 50 HJBA CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(=O)OC(C)C 1201028 MLCMGNTVYQKTON-UHFFFAOYSA-N 410.879 4.998 5 50 HJBA COc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c([N+](=O)[O-])c1 5724382 VFDOWSQEWGKPJL-UHFFFAOYSA-N 405.769 4.612 5 50 HJBA Cn1c2ccccc2c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 1070103 QDOJRNCPOMCGBZ-UHFFFAOYSA-N 405.361 4.595 5 50 HJBA O=C(CCCOc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Br 4042150 JPLIHSMVNHUFFG-UHFFFAOYSA-N 413.655 4.808 5 50 HJBA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 230209889 NJTBPTINBLYOMG-STXHMFSFSA-N 423.494 4.709 5 50 HJBA CC(C)(C)c1ccc(NC(=O)Nc2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 1179334 DZFGVBLLCORMOD-UHFFFAOYSA-N 411.487 4.979 5 50 HJBA O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2Br)c(Br)c1 3121641 ZFVQKKWIKVRRQU-UHFFFAOYSA-N 417.997 4.820 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 5073401 OSXHSNVEUVHGQV-UHFFFAOYSA-N 408.254 4.893 5 50 HJBA Cc1nn(C(=O)COc2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 1189925 LSOZOUPBVQUNAW-UHFFFAOYSA-N 417.874 4.932 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 951455 WSAVVDIVVOUFBP-UHFFFAOYSA-N 420.465 4.947 5 50 HJBA O=C(Oc1c(Cc2ccccc2)c(=O)oc2ccccc12)c1cccc([N+](=O)[O-])c1 1133379 LICZVOBSRWTLAV-UHFFFAOYSA-N 401.374 4.511 5 50 HJBA O=C(N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 837037 ZOCOVEBWTNLAMH-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2ccccc12 1114366 OVLCLKOQKUYXGV-UHFFFAOYSA-N 404.831 4.892 5 50 HJBA O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 837036 HZKWOYBWWXVNLK-CQSZACIVSA-N 423.083 4.786 5 50 HJBA CCc1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 1207468 ACVWHDIOIFWNSV-UHFFFAOYSA-N 417.421 4.983 5 50 HJBA COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2883228 APXPHIRQFHINRR-UHFFFAOYSA-N 419.393 4.673 5 50 HJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 1208238 FSRQLKXIERYZJV-DHZHZOJOSA-N 401.378 4.761 5 50 HJBA COc1cccc(C(=O)Nc2nc3ccccc3n2[C@@H](C)c2ccccc2)c1[N+](=O)[O-] 1875264299 SYAVFLQKUHOOJG-HNNXBMFYSA-N 416.437 4.815 5 50 HJBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 1122671 RMSZKMKNSLYIFD-UHFFFAOYSA-N 401.378 4.669 5 50 HJBA COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4660151 YPWDOGOPNRXSNB-UWJYYQICSA-N 407.451 4.907 5 50 HJBA CC(=O)Nc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(C)c2[N+](=O)[O-])cc1 5337177 DBQSNANHWGNBNC-UHFFFAOYSA-N 406.446 4.756 5 50 HJBA O=C(N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 25558905 WELZDMULZBSZRE-CQSZACIVSA-N 424.067 4.753 5 50 HJBA C[C@H](OC(=O)/C=C/c1ccc(OCc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 2325710814 CRLYJGICVMRIAM-KQPPXVQYSA-N 404.422 4.886 5 50 HJBA Cc1c(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cccc1[N+](=O)[O-] 1113309 FJPSLKJVOPHPFL-UHFFFAOYSA-N 406.423 4.934 5 50 HJBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(Br)c1 2978944 NGPRVGMVBLHVTJ-UHFFFAOYSA-N 404.245 4.733 5 50 HJBA O=[N+]([O-])c1ccc(OCCCOc2ccccc2)c(/C=C2/SC(=S)N=C2O)c1 15856585 MFCRXJWCQCEKLH-SFQUDFHCSA-N 416.480 4.772 5 50 HJBA O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc([N+](=O)[O-])o1 2884916 MMQUAEAUEHVSBJ-UHFFFAOYSA-N 410.769 4.867 5 50 HJBA O=C(Nc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl 15722812 XXQDMDKZEKGMHU-XSFVSMFZSA-N 421.840 4.658 5 50 HJBA CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(Oc2cccnc2)c(C)c1 2325727719 UCWZFVVZHULURI-SOFGYWHQSA-N 405.410 4.833 5 50 HJBA Cc1ccc(S(=O)(=O)n2cc3c4c(cc([N+](=O)[O-])cc42)Oc2ccccc2C3)cc1 1075708 OMKIILGJVTVMOD-UHFFFAOYSA-N 420.446 4.791 5 50 HJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(O)c(-c2nc3ccccc3s2)c1 1207461 HCOCVZUZJKUXLE-UHFFFAOYSA-N 421.434 4.595 5 50 HJBA O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc(OCc2cccc([N+](=O)[O-])c2)c1 2844683 LGYVZQFAZSEVIQ-MTJSOVHGSA-N 418.380 4.657 5 50 HJBA O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 5064545 RQCXOSOCUNYYJK-UHFFFAOYSA-N 407.923 4.668 5 50 HJBA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 1177671 AHGONXUIEHQAGP-UHFFFAOYSA-N 415.858 4.537 5 50 HJBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c1 5050555 UDTLDATVMJZOCO-UHFFFAOYSA-N 400.481 4.688 5 50 HJBA C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccn1Cc1ccccc1Cl 225391084 PFQOHSORCJXGJH-ZDUSSCGKSA-N 416.890 4.612 5 50 HJBA Cc1cccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)c1 1207311 ORLHQUVFEAVLFH-UHFFFAOYSA-N 403.394 4.729 5 50 HJBA Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 15768016 MYXMSEWSOHRBNR-UHFFFAOYSA-N 415.858 4.943 5 50 HJBA COc1ccc(-c2ccc(/C=C3/N=C(c4ccc(C)cc4)OC3=O)o2)c([N+](=O)[O-])c1 1144278 KSLXTZGWLINNSN-WOJGMQOQSA-N 404.378 4.516 5 50 HJBA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c1cc(C)c1ccccc12 5610299 RDNZSIWIEOWXAD-UHFFFAOYSA-N 402.406 4.717 5 50 HJBA O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 239297315 FBJWYSYZIRRIOH-NEWJYFPISA-N 424.456 4.838 5 50 HJBA CCc1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1 1207322 FHQNMKUGEKKLBR-UHFFFAOYSA-N 417.421 4.983 5 50 HJBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 104243816 HNQINPHWWBLHRB-UHFFFAOYSA-N 417.559 4.571 5 50 HJBA COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 239297040 DPPVYLGWQXIIRM-PUHATCMVSA-N 400.434 4.852 5 50 HJBA O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl)c1ccco1 1216980 LSKCFKXFSQFQBW-UHFFFAOYSA-N 420.208 4.999 5 50 HJBA O=C(NCc1cc(-c2ccccc2Cl)on1)c1cc([N+](=O)[O-])c2ccccc2c1 2325869556 TVKIKWMMTPXONQ-UHFFFAOYSA-N 407.813 4.986 5 50 HJBA COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 1185254 WUTGVGSZUXFZGB-FARCUNLSSA-N 411.639 4.671 5 50 HJBA O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 888311 GNKYQTIVAYFCTP-UHFFFAOYSA-N 416.462 4.818 5 50 HJBA COc1ccccc1-c1coc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c1=O 1133922 MBUPLZLMBSISQG-UHFFFAOYSA-N 417.373 4.596 5 50 HJBA biogenic COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@H]21 5676393 CWRAWRAZZSEDNZ-NFBKMPQASA-N 401.422 4.846 5 50 HJBA COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2C)c([N+](=O)[O-])cc1OC 1165491 PLZUSIOFRSQIJT-QFIPXVFZSA-N 419.437 4.692 5 50 HJBA COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1 5064988 DPPVYLGWQXIIRM-MZYLBHOOSA-N 400.434 4.852 5 50 HJBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1NCc1cccnc1 16293700 USJVHICZIGOICQ-UHFFFAOYSA-N 416.359 4.873 5 50 HJBA Cc1cccc([C@@]2(F)CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)c1 1875256780 OGNDJJJZRWGABP-RUZDIDTESA-N 400.453 4.701 5 50 HJBA COC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCCC2 1200086 ROWFKFSMIGDVEJ-UHFFFAOYSA-N 408.863 4.618 5 50 HJBA Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 2798577 FUEMDYZEHOANPV-UHFFFAOYSA-N 421.240 4.695 5 50 HJBA COc1ccccc1OCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1121766 VPULVUXKCORRPF-UHFFFAOYSA-N 410.451 4.772 5 50 HJBA CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1[N+](=O)[O-] 1167612 KQJJFFHNBFGRCZ-UHFFFAOYSA-N 419.437 4.807 5 50 HJBA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 9489265 AXFMUVLAYBXQIK-ZQFKLAOWSA-N 424.456 4.556 5 50 HJBA biogenic Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1[N+](=O)[O-] 3191699 BXCIMGLKOJWUCO-UHFFFAOYSA-N 403.154 4.937 5 50 HJBA Cc1cc([N+](=O)[O-])c(N2CCCC2)cc1NC(=O)c1cccc(Br)c1 4187705 XLOHXISRTAWMER-UHFFFAOYSA-N 404.264 4.518 5 50 HJBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(Br)cc1 834550 GXBSJPHOLFOMRN-UHFFFAOYSA-N 424.301 4.698 5 50 HJBA O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1136363 VIOQRGGESQLFJK-UHFFFAOYSA-N 404.422 4.646 5 50 HJBA COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 15016279 YPWDOGOPNRXSNB-UTKZUKDTSA-N 407.451 4.907 5 50 HJBA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 1217221 DKGROULYZQTVGA-UHFFFAOYSA-N 421.844 4.851 5 50 HJBA O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 971149 VSEPRBXOLWFQGM-CQSZACIVSA-N 423.083 4.786 5 50 HJBA O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1189904 MHUGAIUUDQOZQI-MDWZMJQESA-N 401.378 4.805 5 50 HJBA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21 4834142 DCASQZIHOBRWCX-KLXDDXCJSA-N 410.499 4.531 5 50 HJBA CCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 4867538 KNIBJBKQMGQFJO-UHFFFAOYSA-N 417.421 4.732 5 50 HJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnnn1-c1cccc2ccccc12 1031087 YPPDSJSTSKMFKJ-UHFFFAOYSA-N 417.372 4.894 5 50 HJBA O=C(CC12CC3CC(CC(C3)C1)C2)NCCCNc1ccc([N+](=O)[O-])cc1Cl 4703634 GTTKYWVSOSCWQT-UHFFFAOYSA-N 405.926 4.773 5 50 HJBA O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 4810967 IBKHTOQBXTZNDP-UHFFFAOYSA-N 409.829 4.682 5 50 HJBA C[C@@H]1CC[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1848443929 UJPJTRXXDYFAFJ-SKUUSRGCSA-N 402.447 4.901 5 50 HJBA CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1[N+](=O)[O-] 817480 FAIVLBGLKDJGJH-UHFFFAOYSA-N 418.409 4.757 5 50 HJBA Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1110500 STQVTICGNBQXRN-INIZCTEOSA-N 404.422 4.806 5 50 HJBA COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1[N+](=O)[O-] 834231 ZWOULIHSUSELOA-UHFFFAOYSA-N 410.813 4.740 5 50 HJBA O=c1c2ccccc2c2nc3c(c(-c4cccc([N+](=O)[O-])c4)c12)c(=O)c1ccccc13 22019025 BXWFJWWJQUDXCX-UHFFFAOYSA-N 404.381 4.866 5 50 HJBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1157677 XHZFNYGMUDYKGF-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA CCCCOc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2Cl)OC1=O 2844948 GWFLTNVJVJCLNL-GZTJUZNOSA-N 400.818 4.772 5 50 HJBA O=C(Oc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4846123 JXDNUNVSTWVOEW-UHFFFAOYSA-N 405.248 4.567 5 50 HJBA O=C(O[C@]12[C@H]3CC[C@@H](C3)[C@@H]1[C@H]1C[C@H]2c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 247337134 RACLCRFCTKUEHG-DAILZJHPSA-N 420.421 4.729 5 50 HJBA O=c1cc(-c2ccccc2)oc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc(O)c12 1799813 VFNGEUJYPQVTEW-UHFFFAOYSA-N 420.333 4.774 5 50 HJBA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c1ccc1cc(C)ccc12 5610303 CLGGFBCXGARGHA-UHFFFAOYSA-N 402.406 4.717 5 50 HJBA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5051400 NNXNUEWJLAVTBM-UHFFFAOYSA-N 417.421 4.583 5 50 HJBA Cc1ccc2c(c1)c1c3n2CCCN(Cc2cc4c(cc2[N+](=O)[O-])OCO4)[C@@H]3CCC1 22078046 BNPNRADZMAVNJP-HXUWFJFHSA-N 419.481 4.870 5 50 HJBA O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])cc(Br)c1O 13816212 GIYKJBHMDPKQFV-UHFFFAOYSA-N 406.019 4.622 5 50 HJBA O=C(N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 973382 OQJNBTAJEBJFEC-CQSZACIVSA-N 423.083 4.786 5 50 HJBA CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 2737283 CTQSCWYAHJFNFU-UHFFFAOYSA-N 416.499 4.673 5 50 HJBA Cc1ccc(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c(C)c1 3091955 BCVAXYOOQLGPBY-INIZCTEOSA-N 416.692 4.750 5 50 HJBA Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])cc1C 16268012 RFWMRHMWILQRIA-ULBZPVTCSA-N 424.456 4.608 5 50 HJBA CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 2938222 NLLQHTBBUVHLMS-UHFFFAOYSA-N 415.453 4.924 5 50 HJBA CCOC(=O)c1ccc(COC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1122827 GCLRBDLHUPOMPB-UHFFFAOYSA-N 421.405 4.921 5 50 HJBA C[C@@H](NC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)c1ccc(C(C)(C)C)cc1 653167 QGXURXVGPIJLIT-MRXNPFEDSA-N 406.486 4.628 5 50 HJBA COC(=O)c1sc2cc([N+](=O)[O-])cc(Sc3ccccc3)c2c1NC(C)=O 3617968 NOGUMYYCACORKW-UHFFFAOYSA-N 402.453 4.706 5 50 HJBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)C[C@@H](C)N1 4143249 KWHRYUWXQQAQKL-LOJHZEPRSA-N 412.578 4.798 5 50 HJBA CCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 1206291 BWKRNUTUDCIQMG-UHFFFAOYSA-N 419.393 4.760 5 50 HJBA CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] 1408498 WASYUYLMSNGWOQ-UHFFFAOYSA-N 403.866 4.890 5 50 HJBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(Br)c1 939943 PEVPPOGXUYTUTD-UHFFFAOYSA-N 404.245 4.733 5 50 HJBA O=C(N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3118673 RVHLVZIOUQAPDJ-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA COc1ccc(C(=O)c2ccccc2)c(OC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 1753513 WHZMISHWRMRQJA-UHFFFAOYSA-N 410.357 4.584 5 50 HJBA COc1ccc(C[C@@H](C)N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1OC 5032054 FCLQLFNDYSYTIK-VLIAUNLRSA-N 409.486 4.692 5 50 HJBA O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1NC1CC1 4687466 DNJTXYPLOIVIKY-UHFFFAOYSA-N 421.526 4.619 5 50 HJBA COC(=O)c1ccc(COC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 1127730 WHCWBJNHBWGBNH-UHFFFAOYSA-N 407.378 4.531 5 50 HJBA CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 1079462 HMTXNQBDBWMXFK-UHFFFAOYSA-N 402.863 4.502 5 50 HJBA COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccccc1[N+](=O)[O-] 16448223 ZSUQWFJAWOAEEU-UHFFFAOYSA-N 415.243 4.700 5 50 HJBA C[C@@H](c1ccccc1)[C@H](OC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-])c1ccccc1 3136991 FKTPPXQXZGIADR-BTYIYWSLSA-N 405.406 4.995 5 50 HJBA CCc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Br)c1 1144759 FSJLRADZQZKGIJ-UHFFFAOYSA-N 404.220 4.549 5 50 HJBA O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1-c1ccccc1 55556939 VFMQCJDRUHIDEY-UHFFFAOYSA-N 417.472 4.526 5 50 HJBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCC2 651614 UVEUHSAIBJLTQU-UHFFFAOYSA-N 408.863 4.618 5 50 HJBA CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCC2 2764085 KSUUWMNVGHLPHE-UHFFFAOYSA-N 408.863 4.616 5 50 HJBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2cc(F)c(Cl)cc2Cl)C1 1875389613 VFXJMLDBXZKDNW-NSHDSACASA-N 412.248 4.764 5 50 HJBA O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc([N+](=O)[O-])cc1 754068 NPZVUEYZBFQKQH-UHFFFAOYSA-N 415.449 4.628 5 50 HJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 1915263 OOCVWGGXVCNEKP-FMIVXFBMSA-N 413.385 4.987 5 50 HJBA O=c1c(Cl)c(N2CCC[C@@H](c3ccccc3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1 170620640 WTXWLZZRWRRXMY-QGZVFWFLSA-N 424.888 4.568 5 50 HJBA O=[N+]([O-])c1cccc(-c2ccc(CN3CCN4CCC[C@@H]4[C@H]3C3CCCCC3)o2)c1 239305937 GFPBECZUZRCWCM-ISKFKSNPSA-N 409.530 5.084 5 50 HJBA Cc1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C(C)C)cc1Br 674698 XBQIMIJQJBRIAN-UHFFFAOYSA-N 407.264 4.807 5 50 HJBA O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Cl 3878710 IDSNVHUZKXZTAA-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1[N+](=O)[O-] 852610 PAYXWJVFTGMIFS-UHFFFAOYSA-N 419.462 4.595 5 50 HJBA CCOc1ccc(C(=O)NC(=S)Nc2ccc([C@@H](C)CC)cc2)cc1[N+](=O)[O-] 1173275 SOVSJUDFRWERBN-ZDUSSCGKSA-N 401.488 4.634 5 50 HJBA COc1cc2c(cc1OC)C(c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)=NCC2 5041209 PBJYQIQFJOPCDL-UHFFFAOYSA-N 412.829 4.919 5 50 HJBA CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCC2 2090176 RXMOCZHVRQSTGC-UHFFFAOYSA-N 408.863 4.618 5 50 HJBA CC(=O)Nc1cccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)c1 4573115 GVKYTMYPEPFSLC-UHFFFAOYSA-N 405.366 4.704 5 50 HJBA CC(C)(C)c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 4688180 SPQNBSNWQLOBDU-UHFFFAOYSA-N 409.408 4.753 5 50 HJBA COc1ccc(C[C@H](C)N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1OC 5032047 FCLQLFNDYSYTIK-VBKZILBWSA-N 409.486 4.692 5 50 HJBA CCOc1ccc(NC(=S)Nc2sc(C)c(CC)c2C(=O)OC)c([N+](=O)[O-])c1 16346243 RTCNLJQHDWSEEK-UHFFFAOYSA-N 423.516 4.521 5 50 HJBA O=C(COc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1)c1ccc(F)cc1 1133997 ZVNWYKIFGVOFRE-UHFFFAOYSA-N 419.364 4.769 5 50 HJBA O=C(O)c1cc([N+](=O)[O-])c(C(=O)O)cc1Oc1cc(Cl)c(Cl)cc1Cl 8935086 ABHIMKZVRRZYKJ-UHFFFAOYSA-N 406.561 4.744 5 50 HJBA COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)cc1Cl 1143349 IKAOUXDSJBDZMP-UHFFFAOYSA-N 402.790 4.778 5 50 HJBA CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc([N+](=O)[O-])c1 951949 MSIRNYGKTHRHLC-UHFFFAOYSA-N 416.231 4.826 5 50 HJBA C[C@@H]1CCc2c(sc3nc(-c4ccc(-c5cccc([N+](=O)[O-])c5)o4)[nH]c(=O)c23)C1 1137494 XZRZTEHRNSVFAV-LLVKDONJSA-N 407.451 4.945 5 50 HJBA COc1cc(-c2c3cnn(C)c3nc3c2oc2c(C)c(O)ccc23)cc(OC)c1OC 253398870 CJFMIOOLHZZRDA-UHFFFAOYSA-N 419.437 4.575 5 50 HJBA biogenic Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 959462 GZTXNXSDNKEPLE-UHFFFAOYSA-N 404.422 4.992 5 50 HJBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Br)s1 1053535 AOJDKSGZTMZHJL-UHFFFAOYSA-N 410.274 4.795 5 50 HJBA COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 2980819 ICJVUHNIMLOTGX-UHFFFAOYSA-N 403.394 4.972 5 50 HJBA O=C(NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 9720925 HGMPPLMMTBNMSI-UHFFFAOYSA-N 422.190 4.762 5 50 HJBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1Cc1ccc(Cl)cc1 1148434 XXVZYYWALPKNCV-UHFFFAOYSA-N 408.797 4.837 5 50 HJBA Cc1cc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])cc1C 16268006 RFWMRHMWILQRIA-SNDHGLFQSA-N 424.456 4.608 5 50 HJBA Cn1ncc2c(-c3ccc(Br)cc3)c3oc4cc(O)cc(O)c4c3nc21 263587238 DTVXEIZFCBIKCL-UHFFFAOYSA-N 410.227 4.708 5 50 HJBA CC(C)OC(=O)c1ccsc1NC(=O)c1cc2c(ccc3ccccc32)oc1=N 17087323 YFAROZQHDJZRSC-UHFFFAOYSA-N 406.463 4.944 5 50 HJBA COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1[N+](=O)[O-] 13067906 ITPLBAKLVISLTM-UHFFFAOYSA-N 424.800 4.712 5 50 HJBA O=C(Oc1ccc(Cl)cc1)c1ccc(COC(=O)c2ccccc2[N+](=O)[O-])cc1 2868604 YSKBCNUOFUTHSW-UHFFFAOYSA-N 411.797 4.824 5 50 HJBA COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 25782272 FIJUYMJOTUDCJO-FYYLOGMGSA-N 401.422 4.846 5 50 HJBA CSc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 43191042 WWZHJBQQUVEAGV-UHFFFAOYSA-N 401.669 4.985 5 50 HJBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 1185638 VVOZPTWDEGFQCN-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 4838596 DLTDFVKRGRJJAY-UHFFFAOYSA-N 400.390 4.929 5 50 HJBA Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c2ccccc21 8692055 XVKOWMBULMXQTC-BUHFOSPRSA-N 422.444 4.956 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 16195954 OWKXTYVCOJAXQV-UHFFFAOYSA-N 416.389 4.629 5 50 HJBA O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1 100561548 OOUIFPMEACLQLW-NRFANRHFSA-N 407.376 4.957 5 50 HJBA Cc1cccc(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)c1[N+](=O)[O-] 170643381 DZHXNNOYJHXYOL-KRWDZBQOSA-N 403.276 4.937 5 50 HJBA O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(Br)ccc3c21 3991710 NMFKDDRQSNVETB-UHFFFAOYSA-N 404.223 4.602 5 50 HJBA in-vitro O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12860632 OFIJZEORZBJUST-UHFFFAOYSA-N 414.676 4.517 5 50 HJBA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1129198 XNODDKLNTDQISD-UHFFFAOYSA-N 416.462 4.818 5 50 HJBA Cc1ccc(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 3091906 GRHVDRMWUHOIQU-INIZCTEOSA-N 416.692 4.750 5 50 HJBA O=C(Nc1ccc(N2CCOCC2)cc1)c1sc2c([N+](=O)[O-])cccc2c1Cl 16489320 IWRXQETUOYSXHS-UHFFFAOYSA-N 417.874 4.552 5 50 HJBA O=C(Nc1ccccc1Oc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 5101318 XLWSVWAYTDLHQG-UHFFFAOYSA-N 402.362 4.746 5 50 HJBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1nc2cc(Cl)ccc2s1 45068080 SRCKWIWCFQYVIT-UHFFFAOYSA-N 420.859 4.730 5 50 HJBA COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1c(-c2ccccc2Cl)noc1C 943466 RIWDGLBGBPKUSI-MDZDMXLPSA-N 414.801 4.779 5 50 HJBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1cc(Cl)ccc1O 1208826 NRZDCJVNSMBYBL-UHFFFAOYSA-N 410.769 4.547 5 50 HJBA Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1Sc1ccc(Cl)cc1 947647 NHLLXSHOYVOELI-UHFFFAOYSA-N 417.874 4.932 5 50 HJBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)cc2)o1 4608065 BNUDSZQBSNDKHD-UHFFFAOYSA-N 401.831 4.635 5 50 HJBA COc1ccc(COc2cc3oc(=O)c4cc([C@H](C)O)ccc4c3cc2OC)cc1 43195311 YEAHTLOYHVWAKW-AWEZNQCLSA-N 406.434 4.596 5 50 HJBA investigational CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1111285 VMRZKIMGAUQNLV-UHFFFAOYSA-N 414.801 4.937 5 50 HJBA O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 2951580 KFUAATYNKUOLID-UHFFFAOYSA-N 402.362 4.746 5 50 HJBA COc1cc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc([N+](=O)[O-])c1O 5032509 ACNROAKKCUQXHF-HXUWFJFHSA-N 421.497 4.855 5 50 HJBA C[C@@H](c1ccccc1)[C@H](OC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccccc1 1674956 LEEYKTWGHHBAOC-BTYIYWSLSA-N 405.406 4.995 5 50 HJBA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5027996 XEJUIECEXIBYII-UHFFFAOYSA-N 416.481 4.823 5 50 HJBA Cc1cccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C 4368152 MCBREXKENCVQQQ-UHFFFAOYSA-N 407.264 4.772 5 50 HJBA O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 7003032 SAUFCRBFNQFCOE-BKUYFWCQSA-N 418.380 4.657 5 50 HJBA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 659800 RTPKFJRRLWKZNN-UHFFFAOYSA-N 420.830 4.999 5 50 HJBA CC(C)c1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 5092772 XIJSEQPFFIFKSX-UHFFFAOYSA-N 421.419 4.699 5 50 HJBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Br)cc1 1514673 DCCRUSQITPDCDX-UHFFFAOYSA-N 404.245 4.733 5 50 HJBA O=C(Oc1ccc2oc(=O)sc2c1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2978460 BFPDMISARNZMEW-UHFFFAOYSA-N 407.812 4.850 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)sc2ccccc12 657372 NXNNCDRUHMNLCP-UHFFFAOYSA-N 404.831 4.892 5 50 HJBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 4983070 FGEIEHPQNIQPJU-RYUDHWBXSA-N 409.269 4.746 5 50 HJBA Cc1nn(C(=O)COc2ccc(Cl)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1188492 GTTLGLPQQGRAKD-UHFFFAOYSA-N 417.874 4.932 5 50 HJBA O=C(CSc1nc2ccccc2n1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 5318102 NTRVHRMNBNPJSQ-UHFFFAOYSA-N 417.446 4.608 5 50 HJBA CCSc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1[N+](=O)[O-] 1438261 WDFYDOQSZDVHCU-UHFFFAOYSA-N 407.289 4.672 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)c(Br)c1 1129273 DYRSLNLGABZTEZ-UHFFFAOYSA-N 407.264 4.916 5 50 HJBA O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@@H](c2nccs2)C1 170621521 FFJSRSMUOSDWRA-OAHLLOKOSA-N 409.467 4.863 5 50 HJBA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)[C@@H]2C 444294657 NOMLAXKKCCMICX-HZPDHXFCSA-N 412.489 4.838 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc12 1073591 PPRHETVIWDKUAK-UHFFFAOYSA-N 414.421 4.774 5 50 HJBA O=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)cc([N+](=O)[O-])c1O 16101898 ZTYWCXPGYFYNOE-UHFFFAOYSA-N 406.019 4.622 5 50 HJBA O=C(Nc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Cl)c1 22135350 PSBBMOPTQJKAGL-DEDYPNTBSA-N 421.840 4.658 5 50 HJBA Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 2796515 DBJWOBWJCCPYPW-UHFFFAOYSA-N 418.375 4.728 5 50 HJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1218237 DOIJPFNQCNJJBW-UHFFFAOYSA-N 408.254 4.650 5 50 HJBA COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccco2)n1-c1ccccc1 1154064 FXPXJWCNMPXPEO-UHFFFAOYSA-N 408.439 4.736 5 50 HJBA Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1146272 LSYQGISUKXVBST-UHFFFAOYSA-N 414.508 4.996 5 50 HJBA Cc1cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(C)c1Br 1159825 RRAILFIXAVRINE-UHFFFAOYSA-N 404.220 4.603 5 50 HJBA Cc1nc(C)c([C@@H](C)N(C)C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 170622617 ITQUVDFYEDTTMT-LLVKDONJSA-N 402.501 4.625 5 50 HJBA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)o1 3833714 UXPOFELPDCIEPL-DUXPYHPUSA-N 407.304 4.548 5 50 HJBA COc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)c([N+](=O)[O-])c1 9833556 LJUQZAPCLUMJSU-UHFFFAOYSA-N 423.263 4.507 5 50 HJBA COc1cccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2[N+](=O)[O-])c1 1052612 HQDMINBIRYDSRA-UHFFFAOYSA-N 416.389 4.833 5 50 HJBA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 1217694 ANLVHYOIABWATJ-UHFFFAOYSA-N 401.426 4.506 5 50 HJBA CC[C@H](Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)c1ccccc1 1108742 PTMPZGOXPBOBLJ-NRFANRHFSA-N 404.422 4.887 5 50 HJBA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 35338816 YANDJQJNGWZESO-HXUWFJFHSA-N 402.450 4.862 5 50 HJBA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2[N+](=O)[O-])c1 248266566 ZNPMGNOOXNMBEG-GMAHTHKFSA-N 401.422 4.846 5 50 HJBA CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4043980 OWRVPIGRDXKJFC-BJMVGYQFSA-N 405.248 4.798 5 50 HJBA O=C(CSc1nc2ccccc2s1)Nc1nc2ccc([N+](=O)[O-])cc2s1 2784025 VYTCPMUIMDOYKX-UHFFFAOYSA-N 402.482 4.545 5 50 HJBA CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)nc2c1c(=O)oc1ccccc12 18122439 KIYSHLWWQLTDKR-UHFFFAOYSA-N 400.221 4.668 5 50 HJBA O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2697229 FUGCWSBFWMTXKO-UHFFFAOYSA-N 402.385 4.839 5 50 HJBA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 35338818 YANDJQJNGWZESO-FQEVSTJZSA-N 402.450 4.862 5 50 HJBA COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1[N+](=O)[O-] 1137100 YSSBFLWBYBGAKL-UHFFFAOYSA-N 408.439 4.565 5 50 HJBA COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC 1011837 AVBGCXHFLKQPEP-PXNMLYILSA-N 420.830 4.506 5 50 HJBA CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1[N+](=O)[O-] 4039427 NLCXFDLPGXMULB-UHFFFAOYSA-N 407.264 4.672 5 50 HJBA O=[N+]([O-])c1ccc(CO[C@@H]2[C@H]3C=C[C@H]2[C@@H]2[C@H]3[C@H]3C=C[C@H]2c2ccccc23)c([N+](=O)[O-])c1 247352057 WOIFGKFONXIBLL-BCHPXOQXSA-N 416.433 4.887 5 50 HJBA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1[N+](=O)[O-] 1140214 AVGFHAHKLLTANP-UHFFFAOYSA-N 414.414 4.891 5 50 HJBA CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1[N+](=O)[O-] 1143698 OOOIRBWWVQJIKS-UHFFFAOYSA-N 411.439 4.560 5 50 HJBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1 1154878 NWEACMWXMZFCQD-UHFFFAOYSA-N 414.417 4.544 5 50 HJBA O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc2ccccc2o1 3003036 MLSGFYGELZANBD-UHFFFAOYSA-N 424.463 4.591 5 50 HJBA CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 5065446 LAMCYQSGMKEPAI-UHFFFAOYSA-N 412.471 4.673 5 50 HJBA O=[N+]([O-])c1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19842196 KASUOBONQJYPCK-UHFFFAOYSA-N 417.534 4.678 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCC2 673328 LOCAWJXUWZHQLK-UHFFFAOYSA-N 408.863 4.618 5 50 HJBA COc1cc(COc2ccc3c(oc(=O)c4ccccc43)c2C)cc(OC)c1OC 1156196 RKBVNWIUIZTDGN-UHFFFAOYSA-N 406.434 4.859 5 50 HJBA biogenic COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3[N+](=O)[O-])C2)c1 225849573 SMUYQANYTQXRKX-LJQANCHMSA-N 407.451 4.656 5 50 HJBA O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nc3ccccc3s2)cc1 1065434 BANRAJVMRJORJS-UHFFFAOYSA-N 419.462 4.567 5 50 HJBA COc1ccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1OC 4573161 NCOJTMQONVQZQX-UHFFFAOYSA-N 408.410 4.540 5 50 HJBA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 1217840 UVMWUVFTIOMGPJ-UHFFFAOYSA-N 401.426 4.506 5 50 HJBA O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 4844538 NFKOENQZYCIUKO-UHFFFAOYSA-N 400.891 4.698 5 50 HJBA O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1cccc([N+](=O)[O-])c1 4950978 OVSSVLZLAZRKNG-OUKQBFOZSA-N 408.417 4.946 5 50 HJBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])c1 104229295 CUGOLDSYPDALCT-UHFFFAOYSA-N 406.660 4.827 5 50 HJBA Clc1ccc(-c2nn3c4cc(N5CCNCC5)ccc4nc3c3ccccc23)cc1 4622460 LHOSLHUMWQBJPR-UHFFFAOYSA-N 413.912 4.766 5 50 HJBA COc1cccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc([N+](=O)[O-])c2)c1 1052614 UFWUNQRHAIRHGX-UHFFFAOYSA-N 416.389 4.833 5 50 HJBA COC(=O)c1ccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 1133842 GPNMDRYPGCCTSE-UHFFFAOYSA-N 401.378 4.784 5 50 HJBA CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C(N)=O)C1 994647 MRBDQQIWWAOTBC-SNVBAGLBSA-N 421.906 4.566 5 50 HJBA O=C1OC(c2cccs2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 5052740 AMJSILBXVSNSGL-ZROIWOOFSA-N 400.799 4.914 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CC[C@@H](C)C2 799285 VFPZPJSTVRKVCX-SNVBAGLBSA-N 422.890 4.864 5 50 HJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccc([N+](=O)[O-])c2cccnc12 4045816 AIQXTCZDXYRUCT-UHFFFAOYSA-N 421.335 4.594 5 50 HJBA COc1ccc(C[C@H](C)N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)cc1OC 5032053 FCLQLFNDYSYTIK-XOBRGWDASA-N 409.486 4.692 5 50 HJBA CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 4740979 XLKVLRRKUDLRBK-UHFFFAOYSA-N 421.419 4.699 5 50 HJBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)[C@H]1[N+](=O)[O-] 245328248 UPLODQWJFKBBKR-XMTFNYHQSA-N 424.284 4.696 5 50 HJBA Cc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 937008 NHCAICJTLRTLCE-UHFFFAOYSA-N 401.374 4.896 5 50 HJBA COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 1150736 IDJBXBMYGNMIFL-KGENOOAVSA-N 416.433 4.869 5 50 HJBA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1 4697634 JWSPOYWIADRWOW-HXUWFJFHSA-N 402.450 4.862 5 50 HJBA Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C(C)(C)C)c1 4290080 UIQBMHHUGAKHAC-UHFFFAOYSA-N 421.291 4.981 5 50 HJBA O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 8997690 YKHOHHUPTQJFCO-UHFFFAOYSA-N 422.491 4.879 5 50 HJBA C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4821164 ZDNAAHPYBPUWQW-KRWDZBQOSA-N 417.465 4.598 5 50 HJBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1[N+](=O)[O-] 239433285 XLUWPBDJPCVERE-XMTFNYHQSA-N 424.284 4.696 5 50 HJBA aggregator CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1cc(C)ccc12 1098856 GJJOVUSEAKBEFO-UHFFFAOYSA-N 402.406 4.717 5 50 HJBA COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 1200511 HIRZDWYEZHHIKN-GFCCVEGCSA-N 416.499 4.846 5 50 HJBA CCOC(=O)c1cccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)c1 1053918 AWUPVTUYMMOKAP-UHFFFAOYSA-N 404.831 4.892 5 50 HJBA Cc1ccc(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 3091905 GRHVDRMWUHOIQU-MRXNPFEDSA-N 416.692 4.750 5 50 HJBA CCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 1180979 WWCKXBAAMZWQCI-YVLHZVERSA-N 418.858 4.883 5 50 HJBA Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 3001709 ZGLMYRRQKYVKGT-UHFFFAOYSA-N 418.365 4.872 5 50 HJBA Cc1ccc(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c(C)c1 837040 BCVAXYOOQLGPBY-MRXNPFEDSA-N 416.692 4.750 5 50 HJBA COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] 1226960 DDZAIQBJIQSWTF-UHFFFAOYSA-N 407.357 4.803 5 50 HJBA COc1ccccc1-c1coc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1=O 1133335 VMNAXWGQTOJPKO-UHFFFAOYSA-N 403.390 4.956 5 50 HJBA biogenic O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc2ccccc2c1 1118830 OSKYVZMJHJECPE-UHFFFAOYSA-N 414.211 4.550 5 50 HJBA COc1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 100352573 HVVHLASKHNMTFP-CAOOACKPSA-N 419.349 4.989 5 50 HJBA C[C@@H](OC(=O)/C=C/c1ccc(OCc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 2325710815 CRLYJGICVMRIAM-XLNAKTSKSA-N 404.422 4.886 5 50 HJBA O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 837035 HZKWOYBWWXVNLK-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA CC1(C)C(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 2291052 HPKRDVXXPKJYRN-UHFFFAOYSA-N 415.449 4.567 5 50 HJBA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 9489263 AXFMUVLAYBXQIK-FGEXJBCWSA-N 424.456 4.556 5 50 HJBA biogenic COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1 1123298 WGOQKKPWLFBXBR-UHFFFAOYSA-N 419.466 4.538 5 50 HJBA Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 3001710 AHBIVNJULIMFPN-UHFFFAOYSA-N 418.365 4.872 5 50 HJBA CC(C)(C)c1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 4575245 GJEVTCLSAKZALE-UHFFFAOYSA-N 401.894 4.508 5 50 HJBA COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCCCCC2 2759971 ZKZRWFLGIXECDG-UHFFFAOYSA-N 402.472 4.663 5 50 HJBA COc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(Nc2ccc(C)cc2)c([N+](=O)[O-])c1 16677328 SWHWRTXJGWOMBQ-UHFFFAOYSA-N 422.397 4.816 5 50 HJBA COc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 4043105 FFRZNXOVIFWBOP-RIYZIHGNSA-N 404.422 4.834 5 50 HJBA O=C1N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1 2827637 YKYAXMMZRZSSDN-WJDWOHSUSA-N 409.785 4.606 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1 17083304 AZDGDYUMWGQJCR-UHFFFAOYSA-N 406.229 4.790 5 50 HJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2ccccc2c1Br 672432 YQODYMYKIAQLRM-UHFFFAOYSA-N 415.243 4.836 5 50 HJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OC(c1ccccc1)c1ccccc1 4953329 OYNDABSYBCFDBX-UHFFFAOYSA-N 418.449 4.955 5 50 HJBA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)[C@H]2C 444294656 NOMLAXKKCCMICX-HOTGVXAUSA-N 412.489 4.838 5 50 HJBA O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4545816 YIEIDJHDYOHLKB-XSFVSMFZSA-N 402.406 4.545 5 50 HJBA COc1ccc(CC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1OC 828801 RPFDBLMVWGHSAK-UHFFFAOYSA-N 424.478 4.944 5 50 HJBA biogenic O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2844759 NVVYNNCYGKMGTR-BKUYFWCQSA-N 418.380 4.657 5 50 HJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3ccccc3s2)c1 1146477 PYCXDVDPSMHHCG-UHFFFAOYSA-N 405.435 4.889 5 50 HJBA COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)c2ncccc2c1 4499383 AQDWXQWMGRFGFO-UHFFFAOYSA-N 420.469 4.784 5 50 HJBA CCCCOc1ccccc1/C=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)OC1=O 2839655 UTHPBXQZHKKZND-GZTJUZNOSA-N 400.818 4.772 5 50 HJBA Cc1ccccc1NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 1188679 BSSJIEZQFJZPAZ-UHFFFAOYSA-N 421.478 4.958 5 50 HJBA O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 1205866 XZQIHXBGQZCBNY-ZROIWOOFSA-N 405.229 4.598 5 50 HJBA CC(C)Oc1ccc(C(=O)NCC(C)(C)CNc2ccc([N+](=O)[O-])cc2Cl)cc1 4740949 QJWZPZZFSKGYST-UHFFFAOYSA-N 419.909 4.904 5 50 HJBA CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 1596923 ANXQDVTXEANBGI-UHFFFAOYSA-N 414.502 4.865 5 50 HJBA Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c([N+](=O)[O-])c1 16319587 HYKLGFQEBZTLHR-UHFFFAOYSA-N 421.291 4.981 5 50 HJBA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4703610 NFTZIAIGTGAMRD-UHFFFAOYSA-N 417.937 4.503 5 50 HJBA COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(Cc2ccccc2)c1C 834002 RUAOGQNGVVRWNT-UHFFFAOYSA-N 410.451 4.594 5 50 HJBA CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2741570 NFZQLIMLNRVESY-FMIVXFBMSA-N 414.483 4.752 5 50 HJBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 4983072 FGEIEHPQNIQPJU-VXGBXAGGSA-N 409.269 4.746 5 50 HJBA CCc1ccc([C@@H]2N[C@H](c3ccc(CC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 245326388 JTRXAGQKEBNGGS-LRSLUSHPSA-N 411.502 4.514 5 50 HJBA aggregator CC(=O)Nc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1136243 VTWBMVLXKSWUJK-UHFFFAOYSA-N 406.394 4.703 5 50 HJBA CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1[N+](=O)[O-] 1068987 ZHPHQFBVNBNAEK-UHFFFAOYSA-N 418.409 4.757 5 50 HJBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1c(F)c(F)c(F)c(F)c1F 2846118 JKPDRCJCQMBHMK-UHFFFAOYSA-N 415.299 4.666 5 50 HJBA COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 1187010 ZUVSQCKCPGWHPP-JOCHJYFZSA-N 418.449 4.557 5 50 HJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 1113640 FQWLFKXLSZGZCF-UHFFFAOYSA-N 421.291 4.981 5 50 HJBA O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 101812745 FBJWYSYZIRRIOH-NVPYSNMXSA-N 424.456 4.838 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 15821587 YBSPAPLZULRDAW-XSFVSMFZSA-N 421.840 4.658 5 50 HJBA CCN(CC)Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl 538096 WZGBZLHGOVJDET-UHFFFAOYSA-N 412.877 4.507 5 50 HJBA in-man CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2985134 AQKAFVFPJQZNMK-UHFFFAOYSA-N 407.879 4.554 5 50 HJBA COc1cc(COc2cc(C)c3c(c2)oc(=O)c2ccccc23)cc(OC)c1OC 1156150 MWBCFTLKWAFOGF-UHFFFAOYSA-N 406.434 4.859 5 50 HJBA biogenic Cc1cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)cc1Br 2881138 OIRFGZJHWSXTQS-UHFFFAOYSA-N 404.220 4.603 5 50 HJBA O=C(Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(Cl)cc1Cl 17124415 KPKBVVOEYCYSGS-UHFFFAOYSA-N 424.269 4.988 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1c(Cl)cccc1Cl 1129232 UMPXMWXSFHPYLB-UHFFFAOYSA-N 401.271 4.782 5 50 HJBA O=C1C(Nc2ccc(F)cc2)=C[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1 100561549 OOUIFPMEACLQLW-OAQYLSRUSA-N 407.376 4.957 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 4038397 TYBLHJVDQLSSMD-UHFFFAOYSA-N 420.465 4.947 5 50 HJBA Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O 4575460 MBAXAHGZRXXBRX-UHFFFAOYSA-N 400.390 4.929 5 50 HJBA O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2oc1=O 1116048 NQWOFQJZFINKFC-UHFFFAOYSA-N 417.373 4.851 5 50 HJBA O=C1C(Nc2ccc(F)cc2)=C[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1 100623615 HGEMNWLMRDNSSR-OAQYLSRUSA-N 407.376 4.957 5 50 HJBA COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc([N+](=O)[O-])c1)O2 226872892 VTKZDTUTWZFSRQ-JTHBVZDNSA-N 401.422 4.846 5 50 HJBA Cn1ncc2c(-c3ccc(Br)s3)c3oc4cc(O)cc(O)c4c3nc21 409415526 NSLSYQXABWCCLO-UHFFFAOYSA-N 416.256 4.770 5 50 HJBA Cc1cc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)ccc1[N+](=O)[O-] 2806389 JGAYYYQUFBRFJP-UHFFFAOYSA-N 411.421 4.740 5 50 HJBA O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)c(Cl)c1 4845027 ILVXTCGVUIOMIE-UHFFFAOYSA-N 400.891 4.698 5 50 HJBA CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 5065565 KOSMYOKIFSRFGR-PMACEKPBSA-N 410.470 4.646 5 50 HJBA O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(F)cc1 100623610 HGEMNWLMRDNSSR-NRFANRHFSA-N 407.376 4.957 5 50 HJBA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2[N+](=O)[O-])c1 25782363 ZNPMGNOOXNMBEG-JTHBVZDNSA-N 401.422 4.846 5 50 HJBA O=C(c1cc(-c2ccccc2[N+](=O)[O-])on1)N1CCC(c2cc3ccccc3[nH]2)CC1 2325739286 CKCFBBATMQOAML-UHFFFAOYSA-N 416.437 4.751 5 50 HJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccc(Cl)cc1Cl 2989022 IJEIRPXHYGVPRS-FPYGCLRLSA-N 411.310 4.964 5 50 HJBA COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 1108876 ZBSDRBNHOLDLMU-OAHLLOKOSA-N 420.421 4.506 5 50 HJBA aggregator CCc1cc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 170593751 VDJXJDSKRDHJGD-IERDGZPVSA-N 404.470 4.581 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCCC2 1200566 RDDBEXXDBXHRDO-UHFFFAOYSA-N 402.472 4.744 5 50 HJBA COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(c1ccc(C)cc1)C(=O)C2 2916972 VPQQMRJUVHCUDF-DEOSSOPVSA-N 418.449 4.599 5 50 HJBA Cc1ccc(C(=O)COC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1C 4701915 LVFPVZCZBWHHOX-UHFFFAOYSA-N 404.422 4.995 5 50 HJBA Cc1ccc(-c2n[nH]c(NC(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)c2C)o1 241160579 JYKKFIQQBGYCIB-UHFFFAOYSA-N 420.223 4.601 5 50 HJBA COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1151911 ZECVJRCSLVPDNN-UHFFFAOYSA-N 416.389 4.833 5 50 HJBA O=c1oc2cc(O)c([N+](=O)[O-])cc2cc1-c1csc(-c2ccc(Cl)cc2)n1 4947540 BZJOZCUOTISQEA-UHFFFAOYSA-N 400.799 4.851 5 50 HJBA CCN(CC)C(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 1188388 VCSRVEIONIVJPQ-UHFFFAOYSA-N 415.515 4.660 5 50 HJBA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4701803 QZRZUNIEYRWMPC-UHFFFAOYSA-N 407.879 4.554 5 50 HJBA O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)c(Cl)c1 16384242 JMQOKUXDFLKBMU-NSIKDUERSA-N 411.222 4.848 5 50 HJBA COc1ccc2nc(O)c(-c3c4cnn(C)c4nc4c3oc3cc(O)ccc34)cc2c1 253623671 FILUXGWUVWAIND-UHFFFAOYSA-N 412.405 4.503 5 50 HJBA biogenic CCCOc1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 1777511 RZXHDNIQDLXRNA-WEVVVXLNSA-N 413.455 4.654 5 50 HJBA O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc(Br)cs1 2731203 MNJUADRTZFNMTP-UHFFFAOYSA-N 420.244 4.858 5 50 HJBA Cc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1Cl 678713 WKAUWBCVXDFIKL-UHFFFAOYSA-N 421.844 4.851 5 50 HJBA Cc1cccc(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)c1[N+](=O)[O-] 170643379 DZHXNNOYJHXYOL-QGZVFWFLSA-N 403.276 4.937 5 50 HJBA O=C(Nc1ccccc1-c1nc2ccccc2nc1O)c1ccc([N+](=O)[O-])cc1Cl 253536115 CGWBZCHRRDRWFX-UHFFFAOYSA-N 420.812 4.816 5 50 HJBA O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccs1 1149057 BOZXAXHWAJKJPK-UHFFFAOYSA-N 401.831 4.814 5 50 HJBA Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)oc2c1 1207960 RHTQZEGIAZVIBM-UHFFFAOYSA-N 403.394 4.729 5 50 HJBA CCOC(=O)N=[S@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 95857886 NUCZFLOIDBWRGP-NDEPHWFRSA-N 400.412 4.725 5 50 HJBA C[C@@H]1CC[C@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1848443928 UJPJTRXXDYFAFJ-NTSZXJHNSA-N 402.447 4.901 5 50 HJBA CCc1cccc2c(=O)cc(C(C)C)n(Cc3cc([N+](=O)[O-])cc4c3OCOC4)c12 225655315 REJZWYWOVIDVKS-UHFFFAOYSA-N 408.454 4.510 5 50 HJBA O=C(N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 1857800391 WVAIJKRCLLNPAK-CQSZACIVSA-N 424.067 4.753 5 50 HJBA CCCCOc1cccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)c1 2844625 GTCDZQUDDVXFFG-WOJGMQOQSA-N 400.818 4.772 5 50 HJBA c1cc2ccc3ccc(CN4CCN5CCC[C@H]5[C@@H]4C4CCCCC4)c4ccc(c1)c2c34 239432980 XARCLUDUPOZWLO-FIBWVYCGSA-N 422.616 6.813 5 50 HJBA COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)C(C)C 1101328 FTBSTKWZCUIWHY-UHFFFAOYSA-N 423.425 4.710 5 50 HJBA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 5102844 CPBSBXGYMCNCNN-UHFFFAOYSA-N 401.894 4.508 5 50 HJBA O=C(COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 2846274 BZZNYWMQKVCDJO-UHFFFAOYSA-N 410.813 4.762 5 50 HJBA O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1 4670463 QFBSTUWWRSFDJH-NTEUORMPSA-N 408.417 4.946 5 50 HJBA aggregator Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1 5796931 SSNRRZGECVIQRH-IBGZPJMESA-N 408.435 4.920 5 50 HJBA O=C(N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 1857800390 WVAIJKRCLLNPAK-AWEZNQCLSA-N 424.067 4.753 5 50 HJBA CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 622264 ZDWVWKDAWBGPDN-UHFFFAOYSA-O 414.597 4.988 5 50 HJBA in-vivo O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1cccc([N+](=O)[O-])c1 2858991 KEPQBWPRLJIWLZ-UHFFFAOYSA-N 401.374 4.630 5 50 HJBA CC(C)OC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 799313 SXYPBAHEJHRDEN-LBPRGKRZSA-N 402.472 4.599 5 50 HJBA C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccn1Cc1ccccc1Cl 225391127 PFQOHSORCJXGJH-CYBMUJFWSA-N 416.890 4.612 5 50 HJBA CC(C)n1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@@H](C)C2 17091503 NUZHGRSAXIMWGM-GFCCVEGCSA-N 418.548 4.567 5 50 HJBA O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 1181482 WRCGHFFBQZROLD-QHHAFSJGSA-N 414.245 4.567 5 50 HJBA O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1214723 BJUARLKPXNPFEP-UHFFFAOYSA-N 422.491 4.879 5 50 HJBA Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5027815 MVLXYXFNRHYFFZ-UHFFFAOYSA-N 414.508 4.996 5 50 HJBA O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@H](c2nccs2)C1 170621520 FFJSRSMUOSDWRA-HNNXBMFYSA-N 409.467 4.863 5 50 HJBA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1055249 ZEHXNKBNBHYRDK-UHFFFAOYSA-N 412.707 4.626 5 50 HJBA O=C(Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccccc1 4832826 DIVPUFJYJGXESM-UHFFFAOYSA-N 410.813 4.858 5 50 HJBA COc1cccc(OCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 1146157 IGJXJFZAXXEMEE-UHFFFAOYSA-N 410.451 4.772 5 50 HJBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(Br)cc1 2994331 RMFMVRQVBNGOTG-UHFFFAOYSA-N 409.235 4.970 5 50 HJBA Cc1ccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1[N+](=O)[O-] 1086067 LOBAZWSQHCCEKY-UHFFFAOYSA-N 406.423 4.934 5 50 HJBA Cc1c(OCC(=O)c2cccc([N+](=O)[O-])c2)ccc2c(-c3ccccc3)cc(=O)oc12 1120641 BTGLNGVQESQTRQ-UHFFFAOYSA-N 415.401 4.938 5 50 HJBA COc1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cc1 44123980 RIAQXLXKVDAXNE-UHFFFAOYSA-N 403.026 4.921 5 50 HJBA CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2ccccc12 998441 ZBFNOCAHONIELV-UHFFFAOYSA-N 404.831 4.892 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 955036 RMZQWQPYAYRUOD-NTEUORMPSA-N 404.422 4.834 5 50 HJBA CCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 1186105 CRYMWTCUTCWPHD-UHFFFAOYSA-N 423.425 4.854 5 50 HJBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(Br)cc1 626458 OPANSDZSAMRMJA-UHFFFAOYSA-N 424.250 4.726 5 50 HJBA Cc1ccc2c(c1)c1c3n2CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]3CCC1 1425371 OWHYNVCLWZBERX-QWDXWUACSA-N 401.466 4.791 5 50 HJBA C[C@H](c1ccccc1)[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1ccccc1 1674959 LEEYKTWGHHBAOC-QVKFZJNVSA-N 405.406 4.995 5 50 HJBA O=c1nc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc(C(F)(F)F)[nH]1 13576569 PEQWUDCIMNSWLR-HNQUOIGGSA-N 411.723 4.781 5 50 HJBA CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]1c1ccccc1 460716738 FHKAFWFJQVAVMQ-OAQYLSRUSA-N 421.501 4.621 5 50 HJBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2 2746850 DDUKZZOHDDRTGR-UHFFFAOYSA-N 408.863 4.618 5 50 HJBA CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(=O)OC)C1 659519 MKGYLRVBYPUWEX-JTQLQIEISA-N 422.890 4.864 5 50 HJBA O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc([N+](=O)[O-])cc1 848283 LTFVPJHDFIZISS-UHFFFAOYSA-N 407.373 4.913 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(Br)cc1Cl 2853807 IJUMBFCQZWLUHJ-UHFFFAOYSA-N 400.616 4.663 5 50 HJBA Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc(F)cc3[N+](=O)[O-])c2c1 5048534 DJKOINITFMDSGO-UHFFFAOYSA-N 402.385 4.905 5 50 HJBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 238937210 UFYAETATUWMPOE-DWXRJYCRSA-N 402.538 5.970 5 50 HJBA O=C(N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 837038 ZOCOVEBWTNLAMH-CQSZACIVSA-N 423.083 4.786 5 50 HJBA O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1232868 ITACKRSNGALVGA-CQSZACIVSA-N 423.083 4.786 5 50 HJBA CO[C@@](F)(C(=O)Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)C(F)(F)F 3672579 IZSQPMWHWHUZIL-HNNXBMFYSA-N 404.341 4.559 5 50 HJBA O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 5052422 NIUAUVLBHVNSDQ-ZHZULCJRSA-N 400.390 4.518 5 50 HJBA CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 5065563 KOSMYOKIFSRFGR-UXHICEINSA-N 410.470 4.646 5 50 HJBA CC[C@H](C)Cc1c(C)sc2nc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)nc(O)c12 2325852410 DTBLYTYCDMPYJV-JTQLQIEISA-N 415.471 4.656 5 50 HJBA CC(C)n1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@H](C)C2 17091504 NUZHGRSAXIMWGM-LBPRGKRZSA-N 418.548 4.567 5 50 HJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 1304725 QJDRCNUHJGLPAI-UHFFFAOYSA-N 403.467 4.589 5 50 HJBA C[C@@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C=C[C@H]1c1c(F)c(F)c(F)c(F)c12 136594446 VPKZZSFJSAQQRN-HTBQSJRVSA-N 407.319 4.908 5 50 HJBA Cc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1Cl 1184209 WTVCWRQCNFEPAL-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA O=C(COc1cccc2ccccc12)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 947857 XWAVFLRYPUWQHL-UHFFFAOYSA-N 405.435 4.889 5 50 HJBA O=C(NCCSc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3c(c2)CCCC3)on1 1857800617 KNJGWJVCRCGIBO-UHFFFAOYSA-N 423.494 4.651 5 50 HJBA CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 1071071 XESLQGBZNJVMQO-UHFFFAOYSA-N 415.453 4.760 5 50 HJBA O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2859628 GSMUMHCGVXZLSW-UHFFFAOYSA-N 409.829 4.682 5 50 HJBA O=[N+]([O-])c1ccc(CO[C@@H]2[C@H]3C=C[C@H]2[C@@H]2[C@H]3[C@H]3C[C@H]2c2ccccc23)c([N+](=O)[O-])c1 247362389 ZYKCQLAVMFDENX-ACOSIKIGSA-N 404.422 4.721 5 50 HJBA COc1ccc(-c2c3c(=O)c4ccccc4c3nc3c2c(=O)c2ccccc23)cc1OC 2028804 OJSCVTBTPDJHLR-UHFFFAOYSA-N 419.436 4.975 5 50 HJBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1-c1nc(-c2ccccc2F)no1 4825682 DTSGOHLSZPVYID-UHFFFAOYSA-N 404.357 4.703 5 50 HJBA COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])oc1ccccc12 4652142 JSZFPFVRXAEGIG-ZDUSSCGKSA-N 406.394 4.909 5 50 HJBA CC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 15659060 YAJBOVCZITWZKR-WPWQHHGMSA-N 420.425 4.646 5 50 HJBA O=c1c2cc3c(=O)n(Cc4ccccc4)ccc3nc2ccn1CCC1=CCCCC1 40398780 LACWDAZJMRGQOY-UHFFFAOYSA-N 411.505 4.650 5 50 HJBA O=C1N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 1145007 IHPXZMAAIGGCFQ-GZTJUZNOSA-N 423.812 4.601 5 50 HJBA O=C(c1ccc(Cl)cc1F)N1CCN(c2ccnc3c2ccc2cccnc23)CC1 2325876299 QBEQNEDSGGJROS-UHFFFAOYSA-N 420.875 4.538 5 50 HJBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1Br 2979728 BBYJPHKYTVQKFJ-UHFFFAOYSA-N 404.245 4.733 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 16382316 AHYFXGVZWXYGBH-HNNXBMFYSA-N 414.632 4.687 5 50 HJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1C(C)(C)C 944906 DRONIKMMACPBSA-UHFFFAOYSA-N 421.291 4.981 5 50 HJBA Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc([N+](=O)[O-])o1 1112662 LHEFGDKSMKUXDE-UHFFFAOYSA-N 413.393 4.636 5 50 HJBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCCCC2 2083754 DUFQHPPYVSIWTO-UHFFFAOYSA-N 402.472 4.663 5 50 HJBA Cc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1[N+](=O)[O-] 1062133 ROOBUBJWYAJIER-UHFFFAOYSA-N 414.849 4.657 5 50 HJBA CCOc1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2890888 AFOOOCRLRGQMQX-UHFFFAOYSA-N 415.496 4.848 5 50 HJBA C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 4820988 BOQWGIDUPSEOBO-KRWDZBQOSA-N 417.465 4.598 5 50 HJBA COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 16361980 DPPVYLGWQXIIRM-PMVMPFDFSA-N 400.434 4.852 5 50 HJBA CCCOc1ccc([C@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OC 2471689 KMGSKGITAQQSSQ-LJQANCHMSA-N 420.259 4.998 5 50 HJBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(F)(c2ccccc2)CC1 447612560 SQJKJYBZJUJPLE-UHFFFAOYSA-N 400.453 4.782 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 4423577 JAAWKRAHKICZOQ-UHFFFAOYSA-N 408.439 4.565 5 50 HJBA O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1 13704411 BRAZLURTFMCAHU-UHFFFAOYSA-N 402.385 4.839 5 50 HJBA in-vitro COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc3[nH]c4ccccc4c(=O)c3c1)[C@H]2C 444294655 NOMLAXKKCCMICX-CVEARBPZSA-N 412.489 4.838 5 50 HJBA COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)cc1Cl 1063546 YUUMMSUSBOYMTK-UHFFFAOYSA-N 402.790 4.778 5 50 HJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nc(-c2ccccc2F)no1 2449733 UXILVYCFBYXOOI-UHFFFAOYSA-N 404.357 4.703 5 50 HJBA O=C(COc1ccc2ccccc2c1Br)Nc1cccc([N+](=O)[O-])c1 672429 ATDZSCBQPWKRGW-UHFFFAOYSA-N 401.216 4.528 5 50 HJBA CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)CCCC5)CC1 2106639 FCIXFYOIPFAORR-UHFFFAOYSA-N 404.539 4.573 5 50 HJBA O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 2874267 BKXZSYOUYXASAH-UHFFFAOYSA-N 420.046 4.682 5 50 HJBA CC(C)(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1 4834101 SGZJCYAQORIFMP-UHFFFAOYSA-N 407.264 4.672 5 50 HJBA Cc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c([N+](=O)[O-])c1 5063968 SYIXBZZRNPDYRH-UHFFFAOYSA-N 400.390 4.929 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 4808025 QIWPUDCNVDIRKW-UHFFFAOYSA-N 404.357 4.703 5 50 HJBA COc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 1114935 ZMIVBJLTGMXSPB-UHFFFAOYSA-N 409.876 4.597 5 50 HJBA COc1cccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1)N1N=C(c3ccccc3)C[C@@H]21 216139692 IBKVVEYALGFSOS-REWPJTCUSA-N 401.422 4.846 5 50 HJBA CCN(C(=O)c1cc(C(=O)N(CC)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 970796 ICCBWUHQIKANKO-UHFFFAOYSA-N 417.465 4.928 5 50 HJBA CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 1145878 RZDKRTCUCUSKKX-UHFFFAOYSA-N 421.844 4.797 5 50 HJBA CCNc1ccccc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1137743 XRYGWUPANRKRCZ-UHFFFAOYSA-N 420.421 4.859 5 50 HJBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1[N+](=O)[O-] 1130827 IKXPGMVTNBJQKD-ZDUSSCGKSA-N 401.488 4.634 5 50 HJBA CC(=O)Oc1ccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 2982587 ALHJSEWFNUHJTD-UHFFFAOYSA-N 408.435 4.924 5 50 HJBA COC(=O)c1c(C)n(CCCNc2ccc([N+](=O)[O-])cc2Cl)c2ccc(O)cc12 4757947 QGZDEHNPKGXPEZ-UHFFFAOYSA-N 417.849 4.506 5 50 HJBA Cc1ccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c([N+](=O)[O-])c1 2808001 CCBMVYMPHWEAFL-UHFFFAOYSA-N 411.421 4.740 5 50 HJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 16399306 PIEXWFYDXBVAIT-UHFFFAOYSA-N 419.325 4.959 5 50 HJBA COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1109036 CQGLKNHJTMBQME-OAHLLOKOSA-N 420.421 4.506 5 50 HJBA O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 5065269 BTZKCYWECBQQSB-UHFFFAOYSA-N 409.829 4.682 5 50 HJBA O=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1232893 ARYBHBSMPRKQOS-CQSZACIVSA-N 405.690 4.813 5 50 HJBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C1CC1)nn2-c1ccccc1 20614374 PFLAPUGCJYQBMJ-UHFFFAOYSA-N 414.421 4.660 5 50 HJBA CC[C@@H](C)Cc1c(C)sc2nc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)nc(O)c12 2325852411 DTBLYTYCDMPYJV-SNVBAGLBSA-N 415.471 4.656 5 50 HJBA CC(C)(C)[C@H]1CCc2nc(N)c3c(=O)oc4ccc(Br)cc4c3c2C1 2882297 GYNYIGPHFZCBMG-JTQLQIEISA-N 401.304 4.837 5 50 HJBA CCc1cc(N2C[C@H](c3ccccc3)O[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 252587019 VDJXJDSKRDHJGD-IIBYNOLFSA-N 404.470 4.581 5 50 HJBA COc1ccccc1Oc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 2794615 XKZOPUJBBDDQLF-UHFFFAOYSA-N 409.354 4.556 5 50 HJBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1NCc1ccccc1 55211427 YSEAZYZDAPJYIX-UHFFFAOYSA-N 402.498 4.529 5 50 HJBA Cc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1112080 WZZQTFDVWNBVOA-INIZCTEOSA-N 404.422 4.806 5 50 HJBA COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c([N+](=O)[O-])c1 4819578 DVBNGHATSQSZAD-UHFFFAOYSA-N 408.439 4.565 5 50 HJBA Cc1c(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cccc1[N+](=O)[O-] 5107090 ZNRLTXKQSUQJIR-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)c1 248182517 FIJUYMJOTUDCJO-GMAHTHKFSA-N 401.422 4.846 5 50 HJBA CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 3877771 DAODCLGNVUWRLG-UHFFFAOYSA-N 424.434 4.806 5 50 HJBA O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 19799115 UPQVOMLOAVUJTF-OQLLNIDSSA-N 419.256 4.594 5 50 HJBA Cc1ccc(CCN(Cc2ccco2)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 461740393 KWIKZRVSABBDOV-UHFFFAOYSA-N 403.438 4.863 5 50 HJBA COC(=O)c1c(C)oc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)cc12 947167 QTGQILSIOWDPRW-UHFFFAOYSA-N 420.215 4.778 5 50 HJBA biogenic Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 1218210 VJFWYQLYPBUJKS-UHFFFAOYSA-N 401.426 4.506 5 50 HJBA O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1[N+](=O)[O-] 1173184 SLSRAZKPUDPZIH-UHFFFAOYSA-N 418.434 4.530 5 50 HJBA Cc1c(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] 1147884 WHJONPIHEPISJS-MRXNPFEDSA-N 403.438 4.647 5 50 HJBA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 6974509 KJQXPHVXUXYLHV-MTJSOVHGSA-N 418.380 4.657 5 50 HJBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3s2)C1 169938745 XVAKXVJSOGMVBG-ZDUSSCGKSA-N 401.875 4.878 5 50 HJBA O=C(N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1232892 ARYBHBSMPRKQOS-AWEZNQCLSA-N 405.690 4.813 5 50 HJBA CCCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2082437 HIGRNKMLWKNKMG-FMIVXFBMSA-N 414.483 4.754 5 50 HJBA CCOc1ccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 5047828 JZTLDSCRLMDPDG-LFIBNONCSA-N 413.433 4.863 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@@H](C)C2 687062 BANLJESPLPQYPH-LLVKDONJSA-N 402.472 4.519 5 50 HJBA CC(=O)Nc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)cc1 968753 ZUJGMAISUQUDCR-UHFFFAOYSA-N 405.366 4.704 5 50 HJBA CC1(C)C(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 1208981 KMSDVSABLBWJJP-UHFFFAOYSA-N 415.449 4.567 5 50 HJBA COC(=O)[C@](F)(c1cc(Cl)ccc1OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1423364 NRAVOLAZWNNNQP-MRXNPFEDSA-N 421.730 4.662 5 50 HJBA O=[N+]([O-])c1ccc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccncc12 170594522 YZPSENKOCMKEBK-UHFFFAOYSA-N 413.359 4.960 5 50 HJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1ccc(Cl)c(Cl)c1 4953889 BDGIMGZQQGEHQF-UHFFFAOYSA-N 411.241 4.672 5 50 HJBA CC[C@H](NC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)c1ccc(C(C)C)cc1 653588 ZKXPVBFMXGXDAG-QFIPXVFZSA-N 406.486 4.844 5 50 HJBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1136816 DJLQFGKHXXFAAP-UHFFFAOYSA-N 401.378 4.669 5 50 HJBA CO[C@](F)(C(=O)Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)C(F)(F)F 3672580 IZSQPMWHWHUZIL-OAHLLOKOSA-N 404.341 4.559 5 50 HJBA O=C(Nc1ccc(Cl)cc1C(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 1141008 KMSMBDZKZMZBQW-UHFFFAOYSA-N 401.850 4.517 5 50 HJBA CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)C[C@H](C)CC5)CC1 3339061 VHHSNUSPOOFLGN-OAHLLOKOSA-N 418.566 4.819 5 50 HJBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1185622 UVIQJJZERBFWON-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Cl 4701310 FTQZMBCVBIYNIJ-UHFFFAOYSA-N 416.886 4.639 5 50 HJBA O=C(N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 25558904 WELZDMULZBSZRE-AWEZNQCLSA-N 424.067 4.753 5 50 HJBA O=C1C(Nc2ccc(F)cc2)=C[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1 100561547 XAKHTYLODRMDSB-OAQYLSRUSA-N 407.376 4.957 5 50 HJBA O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 18046082 FBJWYSYZIRRIOH-CJRSTVEYSA-N 424.456 4.838 5 50 HJBA biogenic C[C@H]1CCc2c(sc3nc4c5ccccc5c(N5CCCCC5)nn4c(=O)c23)C1 628580 DUSDQLITXYLXCJ-AWEZNQCLSA-N 404.539 4.573 5 50 HJBA COc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccccc2[N+](=O)[O-])C1 241586466 OWESFTSRDBIMOL-GOSISDBHSA-N 407.451 4.656 5 50 HJBA COC(=O)c1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)c1 9059078 UPBAXBXZNUMTHE-UHFFFAOYSA-N 400.394 4.735 5 50 HJBA Cc1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c([N+](=O)[O-])c1 8454766 VNOLFLVUTJWGNU-UHFFFAOYSA-N 423.379 4.803 5 50 HJBA O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)cc1 100561546 XAKHTYLODRMDSB-NRFANRHFSA-N 407.376 4.957 5 50 HJBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2857550 MHRNVCFULOILQV-UHFFFAOYSA-N 404.831 4.841 5 50 HJBA O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 7003036 DKHQXGYWKJZNHG-BKUYFWCQSA-N 418.380 4.657 5 50 HJBA O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1321536669 IRBSVGZOCBUYKY-KRWDZBQOSA-N 422.488 4.577 5 50 HJBA CCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12 2870301 OHOIAMSTMYDCSF-QHCPKHFHSA-N 406.438 4.679 5 50 HJBA COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)n1 2879178 HEJBPUNDQSWXQZ-UHFFFAOYSA-N 416.393 4.573 5 50 HJBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 4725267 HSORJSKSWYOQKW-UHFFFAOYSA-N 403.482 4.705 5 50 HJBA Cc1csc([C@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CCO2)n1 170609231 GGYSSWSJCZKBJM-CYBMUJFWSA-N 407.801 4.610 5 50 HJBA O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 229950576 IVXTXTKDOXPLHH-YJMBLLCNSA-N 402.475 4.644 5 50 HJBA Cc1ccc(OCc2nc(CC(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)cs2)cc1 170617597 HBERXTCMPOGSBY-UHFFFAOYSA-N 411.483 4.737 5 50 HJBA Cc1ccc(C)c(-c2c(C)sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)c1 1005720 HAKFDECMGFFWPZ-UHFFFAOYSA-N 409.467 4.600 5 50 HJBA Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N=C2O)cc1 2958940 QKMXOUIYSCWMDZ-GZTJUZNOSA-N 416.480 4.690 5 50 HJBA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(C)C2=O)cc1[N+](=O)[O-] 1116946 CKMXCPOHWRRDDI-SHZLTDHESA-N 424.456 4.690 5 50 HJBA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21 4834141 DCASQZIHOBRWCX-CQMMPMSNSA-N 410.499 4.531 5 50 HJBA O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Cl)cc3Br)n2)cc1 1110515 CZGIFSBBVYXEGL-UHFFFAOYSA-N 410.611 4.640 5 50 HJBA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6974510 NTWCCDXCCHZBJG-YVLHZVERSA-N 412.760 4.992 5 50 HJBA CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OCC)c1OCC 4819484 PDAZMPKWQJOTSM-UHFFFAOYSA-N 408.838 4.697 5 50 HJBA O=C(O)c1ccc(Oc2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1 4818788 XADWOUUOENUOJD-UHFFFAOYSA-N 403.350 4.802 5 50 HJBA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)o1 5441790 ATODHDPKLIVRHF-LJQANCHMSA-N 408.435 4.920 5 50 HJBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(C)c1Cl 4040799 HIHAAMPNTOHKCQ-UHFFFAOYSA-N 413.655 4.645 5 50 HJBA Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)N(Cc1ccccc1)c1ccccc1 4810939 WFXSMDRWPCHBRL-UHFFFAOYSA-N 412.877 4.767 5 50 HJBA C[C@@H]1CCc2c(sc3nc4c5ccccc5c(NCc5ccco5)nn4c(=O)c23)C1 628622 AHTKGASRKOYSIN-CYBMUJFWSA-N 416.506 4.787 5 50 HJBA Cc1nc(N[C@H](C)c2nc(-c3ccc(Br)cc3)c[nH]2)ccc1[N+](=O)[O-] 170616197 ZDPQNYVNXKKYED-LLVKDONJSA-N 402.252 4.624 5 50 HJBA Cc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccc(C)c2)cc1 5061492 KTVLEGAZJFPSFN-PXLXIMEGSA-N 415.449 4.621 5 50 HJBA CC[C@H](Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)c1ccccc1 1108778 FCBUIIMSJSYVKP-NRFANRHFSA-N 404.422 4.887 5 50 HJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Cl)c(Cl)c1 2986642 OHLAEPFBYGJGDR-FNORWQNLSA-N 411.310 4.964 5 50 HJBA CC(=O)c1cc(C(=O)CC(=O)Nc2cccc([N+](=O)[O-])c2)sc1Nc1ccccc1 12380064 NWNIGFGHZZHXHB-UHFFFAOYSA-N 423.450 4.814 5 50 HJBA O=C(COc1ccc2cc(Br)ccc2c1)Nc1cccc([N+](=O)[O-])c1 1140650 QVCBZQYGGWGVGZ-UHFFFAOYSA-N 401.216 4.528 5 50 HJBA O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] 675108 HHQQZYOAPUXRKS-UHFFFAOYSA-N 404.662 4.682 5 50 HJBA COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1 1110336 ICQIEQXVAQOKFO-UHFFFAOYSA-N 414.421 4.708 5 50 HJBA Cc1nn(Cc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1[N+](=O)[O-] 2796523 IAEXFIPQDKEVHE-UHFFFAOYSA-N 402.813 4.501 5 50 HJBA O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccccc1[N+](=O)[O-] 848274 LXDHVQNCFRAIGN-UHFFFAOYSA-N 407.373 4.913 5 50 HJBA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15821669 ZHYGTHFNJXBJAZ-UHFFFAOYSA-N 414.676 4.517 5 50 HJBA CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]21)c1ccccc1 230037785 MKADPHRFSHXWRG-DPZOUVDISA-N 414.461 4.607 5 50 HJBA COc1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c([N+](=O)[O-])c1 16156264 VGYHFDZSMDLTKR-UHFFFAOYSA-N 424.796 4.850 5 50 HJBA COc1ccc(N2C(=O)c3ccc(Oc4ccc(C)c(C)c4)cc3C2=O)c([N+](=O)[O-])c1 20394952 OZPBZXUIYNREOZ-UHFFFAOYSA-N 418.405 4.813 5 50 HJBA CCOC(=O)c1cc(C(=O)N(C)c2ccccc2Oc2ccccc2)cc([N+](=O)[O-])c1 116201586 UVIPGOMSEGHEKD-UHFFFAOYSA-N 420.421 4.840 5 50 HJBA Cc1ccc2c(Cl)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)sc2c1 4718560 QKLRGQRCJBEUIX-UHFFFAOYSA-N 415.902 4.734 5 50 HJBA O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1cccc([N+](=O)[O-])c1 848277 LGWUZRGKZXKGKW-UHFFFAOYSA-N 418.272 4.657 5 50 HJBA CC[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)Nc1ccc(C(C)=O)cc1 2821334 NWOHZHKRNNNHSW-INIZCTEOSA-N 415.496 4.917 5 50 HJBA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4724890 DSSKUKCHXCRRDZ-UHFFFAOYSA-N 414.421 4.708 5 50 HJBA O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)o2)c1 4986423 KPYAWIFXQKIFBV-VMPITWQZSA-N 403.482 4.686 5 50 HJBA COC(=O)c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1 9318758 KQZMAQSXDRRROQ-UHFFFAOYSA-N 400.394 4.735 5 50 HJBA COC(=O)c1cc(C(=O)Nc2ccccc2Sc2ccccc2)cc([N+](=O)[O-])c1 2876177 UOWBAJLZTYUQEQ-UHFFFAOYSA-N 408.435 4.785 5 50 HJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 1207982 UWWYKGJIDJIUTQ-DHZHZOJOSA-N 401.378 4.761 5 50 HJBA O=C(N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 973381 OQJNBTAJEBJFEC-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA O=C(NC(=S)Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 1058650 PQPGVDSFHPWHFJ-ZHACJKMWSA-N 403.463 4.892 5 50 HJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 1162422 BHINLPYKJDLUHG-UHFFFAOYSA-N 403.467 4.589 5 50 HJBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 169938743 XVAKXVJSOGMVBG-CYBMUJFWSA-N 401.875 4.878 5 50 HJBA CC(=O)Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1136461 NICQAWRXYZKMDA-UHFFFAOYSA-N 406.394 4.703 5 50 HJBA COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 1143772 WGSYGNGVQMAGQU-XSFVSMFZSA-N 404.422 4.791 5 50 HJBA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 239297069 DRONVMYLHJOTNP-GMAHTHKFSA-N 401.422 4.846 5 50 HJBA Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 950206 SHIWGYUMKZPQPI-UHFFFAOYSA-N 401.374 4.896 5 50 HJBA O=C(NC(=S)Nc1cccc2ncccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1051243 DHNJPVNFXJYGHH-UHFFFAOYSA-N 418.434 4.530 5 50 HJBA O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 1108752 RLJPGJICRQFXTI-UHFFFAOYSA-N 402.385 4.839 5 50 HJBA CC[C@@H](Oc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)c1ccccc1 1108779 FCBUIIMSJSYVKP-OAQYLSRUSA-N 404.422 4.887 5 50 HJBA Cc1cc(C)c2oc(-c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3O)nc2c1 261492901 MPCFIZGWGQWEQT-UHFFFAOYSA-N 403.394 4.978 5 50 HJBA COc1cccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1)N1N=C(c3ccccc3)C[C@H]21 4871821 IBKVVEYALGFSOS-OFNKIYASSA-N 401.422 4.846 5 50 HJBA O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 755763 GBIIPFGYXGFHQJ-UHFFFAOYSA-N 400.390 4.548 5 50 HJBA O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc([N+](=O)[O-])cc1 1206653 WZJHZFIHHBSQFS-UHFFFAOYSA-N 409.405 4.734 5 50 HJBA O=C1OC(c2cccs2)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1193150 PCHMLRKJTHSJQF-ATVHPVEESA-N 406.419 4.580 5 50 HJBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)o1 239378269 OMSQHOIMBIFLFS-LADGPHEKSA-N 409.530 5.084 5 50 HJBA Cc1ccc(C(=O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 1109150 ISBNAWDJIKUSFY-UHFFFAOYSA-N 404.422 4.726 5 50 HJBA O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 1452530 SCXGNKTVAMPOGP-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1 2886470 JCQBHQUPDSDWBK-UHFFFAOYSA-N 419.441 4.825 5 50 HJBA Cc1cc(OCCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)ccc1Cl 1787183 PNKSKMYMLPAHCW-UHFFFAOYSA-N 405.863 4.964 5 50 HJBA COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2C)c([N+](=O)[O-])cc1OC 1165492 PLZUSIOFRSQIJT-JOCHJYFZSA-N 419.437 4.692 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccncc2)nc2ccc(C)cc12 5048456 UGXWWBIZJFYSTD-UHFFFAOYSA-N 414.421 4.774 5 50 HJBA Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(N)=O)c1-c1ccccc1 2763234 BSMJCDWPAXOOTI-UHFFFAOYSA-N 415.858 4.636 5 50 HJBA O=C1c2ccc(-c3nc4ccccc4s3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 1122650 NWWHWAKGJSWKHL-UHFFFAOYSA-N 401.403 4.672 5 50 HJBA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Br 5020952 RHFHKUTULAEXIB-UHFFFAOYSA-N 402.204 4.573 5 50 HJBA Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] 5062955 WMVPYOSUZDORDG-UHFFFAOYSA-N 400.481 4.855 5 50 HJBA CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccccc2[N+](=O)[O-])cc1 5065566 KOSMYOKIFSRFGR-WOJBJXKFSA-N 410.470 4.646 5 50 HJBA O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc([N+](=O)[O-])c1 1172441 OMGFRCFTDTZQJD-UHFFFAOYSA-N 418.434 4.530 5 50 HJBA O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1321536674 IRBSVGZOCBUYKY-QGZVFWFLSA-N 422.488 4.577 5 50 HJBA COc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] 2860951 JBKUJQKUXASAGA-UHFFFAOYSA-N 416.389 4.629 5 50 HJBA Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1 1205046 SRENKJUTSVSOJN-UHFFFAOYSA-N 403.394 4.729 5 50 HJBA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1 4697636 JWSPOYWIADRWOW-FQEVSTJZSA-N 402.450 4.862 5 50 HJBA COc1cc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 4043104 FEZCPUOJTMDGKK-WYMLVPIESA-N 404.422 4.834 5 50 HJBA O=C(N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 808654 SPPWGUIUBGEECQ-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA COc1cc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 1125061 HQKSTBXUJVOTFX-UHFFFAOYSA-N 408.410 4.540 5 50 HJBA O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]3[C@H]3C=C[C@H]2c2ccccc23)c([N+](=O)[O-])c1 104282950 WOIFGKFONXIBLL-WAUHAFJUSA-N 416.433 4.887 5 50 HJBA CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C(=O)OC(C)C 2747466 QVSMWQXEBWECTC-UHFFFAOYSA-N 410.879 4.998 5 50 HJBA O=C(Oc1ccccc1)c1cccc(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 1124372 ASZJYOQSOQDIMT-UHFFFAOYSA-N 411.797 4.824 5 50 HJBA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3[N+](=O)[O-])C2)c(=O)o1 22017459 SCLKCBLUAIRMPT-LJQANCHMSA-N 408.435 4.920 5 50 HJBA COc1cccc(-c2nc3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)c1 824718 BHJQUOFVUXNYLL-UHFFFAOYSA-N 419.393 4.673 5 50 HJBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8986599 BSJHFNMJCZVOQV-UHFFFAOYSA-N 414.676 4.517 5 50 HJBA CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 2861955 HMUKXWSPORXRQQ-UHFFFAOYSA-N 422.422 4.675 5 50 HJBA COc1ccc(N2C(=O)c3ccc(Oc4ccc(C)cc4)cc3C2=O)c([N+](=O)[O-])c1 4912850 PVIYYYGARKGGMA-UHFFFAOYSA-N 404.378 4.505 5 50 HJBA Nc1c(C(=O)c2cccc([N+](=O)[O-])c2)sc2nccc(NCc3ccccc3)c12 4991617 CVEPSNCDCPALRI-UHFFFAOYSA-N 404.451 4.630 5 50 HJBA O=C(NCCSc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3ccccc3c2)on1 1857800618 KNTSLASQYUYTSH-UHFFFAOYSA-N 419.462 4.925 5 50 HJBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccccc3)nc2c1 1157679 SQPSGHAKPXPKAG-YRNVUSSQSA-N 419.828 4.634 5 50 HJBA COc1ccc(OC)c(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 6858405 SLXSCLKYWNFRKC-UHFFFAOYSA-N 402.410 4.966 5 50 HJBA O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5028002 BUZQEFGXVBFLTO-UHFFFAOYSA-N 408.483 4.961 5 50 HJBA COc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1[N+](=O)[O-] 1149354 CSCVHKHFBXHYNZ-UHFFFAOYSA-N 405.769 4.612 5 50 HJBA O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5050121 XXAGZJSYVJJOGA-UHFFFAOYSA-N 414.893 4.701 5 50 HJBA CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 17092470 UNQUCZJKQCBCSR-MRXNPFEDSA-N 420.893 4.782 5 50 HJBA COc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])oc1ccccc12 653014 JSZFPFVRXAEGIG-CYBMUJFWSA-N 406.394 4.909 5 50 HJBA CCCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 2991199 JKHAWEQUDWTMES-UHFFFAOYSA-N 407.879 4.554 5 50 HJBA C/C=C/c1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 2986837 XPPOUFCMZFPZAC-ONEGZZNKSA-N 407.850 4.764 5 50 HJBA COC(=O)c1sc2cc([N+](=O)[O-])cc(SC3CCCCC3)c2c1NC(C)=O 2113247 IGQXIXIVZFFZEO-UHFFFAOYSA-N 408.501 4.979 5 50 HJBA CC1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 4821325 HXSCKGRTZMHGEV-UHFFFAOYSA-N 408.502 4.684 5 50 HJBA COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@@H]21 25581549 CWRAWRAZZSEDNZ-NZQKXSOJSA-N 401.422 4.846 5 50 HJBA CC(C)(c1ccccc1)c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2838982 NJTADBUOSJCEPX-UHFFFAOYSA-N 404.466 4.730 5 50 HJBA Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)c([N+](=O)[O-])c1 16381853 BOFWHTAOLWEAKD-UHFFFAOYSA-N 415.243 4.836 5 50 HJBA COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1 1109105 VROVCVCAVSELOC-OAHLLOKOSA-N 420.421 4.506 5 50 HJBA CC(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 1121645 YNUTZXWIECTIDX-UHFFFAOYSA-N 407.451 4.957 5 50 HJBA COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 1143003 WGKVGJSAFHAXGD-UHFFFAOYSA-N 415.829 4.821 5 50 HJBA Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] 2069178 YCNCKWFMYBBQAK-UHFFFAOYSA-N 418.365 4.872 5 50 HJBA CCOc1c(OC(C)=O)ccc(/C=C/c2ccc3cccc(OC)c3n2)c1[N+](=O)[O-] 4998307 AIUMIBUKVGTSAM-FMIVXFBMSA-N 408.410 4.646 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4725239 FKPQCUOYQZSAEI-UHFFFAOYSA-N 402.385 4.839 5 50 HJBA CCOc1ccccc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 1225345 IHUODRARJWZJKQ-UHFFFAOYSA-N 407.470 4.576 5 50 HJBA O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 4507044 JOXPBNNORCXOHY-UHFFFAOYSA-N 409.873 4.608 5 50 HJBA O=C(/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 16740109 HXMYNEINBIGHMU-GHVJWSGMSA-N 401.447 4.855 5 50 HJBA CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]1c1ccccc1 460716737 FHKAFWFJQVAVMQ-NRFANRHFSA-N 421.501 4.621 5 50 HJBA O=[N+]([O-])c1cccc(-c2nc(N3CCN(c4ccccc4)CC3)c3ccccc3n2)c1 1137846 DQULOUZZRPYJPU-UHFFFAOYSA-N 411.465 4.532 5 50 HJBA CN1C(=O)C(c2c[nH]c3ccccc23)(c2c[nH]c3ccccc23)c2cc([N+](=O)[O-])ccc21 16293997 NBOBMOIPGNZKQW-UHFFFAOYSA-N 422.444 4.868 5 50 HJBA CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cccc(F)c1 937865 QXSADXTYOUCLHE-UHFFFAOYSA-N 414.414 4.891 5 50 HJBA CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 1113431 DHTQLROJONHZIG-UHFFFAOYSA-N 414.414 4.891 5 50 HJBA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 2145035 XCOFOOMMBSRGBQ-UHFFFAOYSA-N 407.879 4.554 5 50 HJBA Cc1cccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)c1 2837144 QRJHWAFYWLROKG-UHFFFAOYSA-N 403.467 4.838 5 50 HJBA Cc1ccc(C)c(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 971157 AKBOHCFFEVFRSD-INIZCTEOSA-N 416.692 4.750 5 50 HJBA Cc1ccc2c(c1)c1c3n2CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]3CCC1 1425369 OWHYNVCLWZBERX-UBQCRTFRSA-N 401.466 4.791 5 50 HJBA COc1ccc2nc(N3C(=O)CS[C@@H]3c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 12371492 GVYVADJANFWZAQ-MRXNPFEDSA-N 421.887 4.645 5 50 HJBA COc1ccc2cc(-c3c4cnn(C)c4nc4c3oc3cc(O)ccc34)c(O)nc2c1 253623597 AEAWTHLCVYXBHL-UHFFFAOYSA-N 412.405 4.503 5 50 HJBA biogenic O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1178045 YJJZNPLUYOKDQX-UHFFFAOYSA-N 404.662 4.682 5 50 HJBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 4793861 YLZMVDAXSRCEDE-UHFFFAOYSA-N 404.662 4.682 5 50 HJBA O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]3[C@H]3C[C@H]2c2ccccc23)c([N+](=O)[O-])c1 104282833 ZYKCQLAVMFDENX-UALGEBADSA-N 404.422 4.721 5 50 HJBA O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccc([N+](=O)[O-])c1 842841 OTUSOLXQIGJTSK-UHFFFAOYSA-N 407.373 4.913 5 50 HJBA COc1ccccc1COc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 2841371 ZJSFAKLCGAQVQV-UHFFFAOYSA-N 403.390 4.956 5 50 HJBA COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1 1173605 MWMLIOWXHXZGFU-UHFFFAOYSA-N 423.450 4.707 5 50 HJBA Cc1cccc(COc2cccc(/C=C3\N=C(c4cccc([N+](=O)[O-])c4)OC3=O)c2)c1 2850058 FZEVCTMTJFECLH-XKZIYDEJSA-N 414.417 4.827 5 50 HJBA COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])cc1OC 4674784 XOPGOJSXOLEUNM-UHFFFAOYSA-N 404.728 4.537 5 50 HJBA O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1232127 ZRSJZNPWGKPVQW-CQSZACIVSA-N 423.083 4.786 5 50 HJBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccccc1C(=O)OCc1ccccc1 3086131 PJINSSAAHMJHMD-UHFFFAOYSA-N 410.357 4.702 5 50 HJBA COc1ccccc1Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 2794743 PADUGQYMBJFSND-UHFFFAOYSA-N 409.354 4.556 5 50 HJBA Cc1cc([N+](=O)[O-])ccc1N[C@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl 4797689 WTFNZZDKRWDNPJ-CYBMUJFWSA-N 408.694 4.503 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 16382313 AHYFXGVZWXYGBH-OAHLLOKOSA-N 414.632 4.687 5 50 HJBA Cc1ccc(Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)c2)cc1C 754610 SKCSKIIGRDSACK-UHFFFAOYSA-N 406.394 4.954 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 1751279 OOXQBJJJYPSCHK-UHFFFAOYSA-N 405.621 4.581 5 50 HJBA C[C@@H]1CC[C@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 1848443930 UJPJTRXXDYFAFJ-XMUHMHRVSA-N 402.447 4.901 5 50 HJBA COc1cc(C=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1143029 CUXMUDFQGSZRSB-UHFFFAOYSA-N 420.137 4.990 5 50 HJBA CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OCC)c1OCC 1188911 LFHLAWDENFHEJU-UHFFFAOYSA-N 408.838 4.697 5 50 HJBA O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 1127734 YOWVFSRMIYYBJD-UHFFFAOYSA-N 413.792 4.892 5 50 HJBA COc1ccc(-c2csc3nc4c5ccccc5c(Cl)nn4c(=O)c23)cc1OC 632074 JVLNEVNQGNGFON-UHFFFAOYSA-N 423.881 4.795 5 50 HJBA Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nn1Cc1ccc(Cl)cc1 2764144 RLOUPFITTVGMOB-UHFFFAOYSA-N 405.241 4.707 5 50 HJBA COc1ccc(COc2cc3oc(=O)c4cc([C@@H](C)O)ccc4c3cc2OC)cc1 43195312 YEAHTLOYHVWAKW-CQSZACIVSA-N 406.434 4.596 5 50 HJBA investigational O=[N+]([O-])c1ccc(CSc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)cc1 2342395 NNHMZAPFFZXOKB-UHFFFAOYSA-N 420.497 4.939 5 50 HJBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl 4724581 ABFQZBSXXALBKC-UHFFFAOYSA-N 404.662 4.682 5 50 HJBA COc1cc(CN2CCCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc([N+](=O)[O-])c1O 5032511 ACNROAKKCUQXHF-FQEVSTJZSA-N 421.497 4.855 5 50 HJBA Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1076151 CLLRTEISESQYPM-UHFFFAOYSA-N 414.508 4.996 5 50 HJBA Cc1c(OCC(=O)c2cccc([N+](=O)[O-])c2)ccc2c3c(c(=O)oc12)CCCCC3 2853711 HHLAYAUAEJRANG-UHFFFAOYSA-N 407.422 4.540 5 50 HJBA CCCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 4821404 UBPQJFHSWTXMKS-UHFFFAOYSA-N 410.474 4.576 5 50 HJBA COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC 15009930 CDFNCPUYNURQNP-APSNUPSMSA-N 420.830 4.506 5 50 HJBA COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccccc2)cc1 239415277 UCOVRFHFHHQFHH-GMAHTHKFSA-N 401.422 4.846 5 50 HJBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1nc2ccccc2s1 1085704 VYFRUQJLQPLOIV-UHFFFAOYSA-N 417.402 4.797 5 50 HJBA O=C(O[C@@]12[C@H]3CC[C@@H](C3)[C@H]1[C@H]1C[C@H]2c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 247337196 RACLCRFCTKUEHG-OIWWLQHMSA-N 420.421 4.729 5 50 HJBA O=C(Nc1nnc(CSCc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 2844447 JPRJHJTVFVUJNP-UHFFFAOYSA-N 420.903 4.785 5 50 HJBA aggregator CCc1ccc([C@@H]2N[C@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 217940943 JTRXAGQKEBNGGS-COPRSSIGSA-N 411.502 4.514 5 50 HJBA aggregator CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1 225735713 YETXABURLMYIIA-UXHICEINSA-N 402.516 4.583 5 50 HJBA CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(N)=O)C1 1201025 XLUANCUFMVYAGM-SNVBAGLBSA-N 421.906 4.566 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CC[C@H](C)C2 799284 VFPZPJSTVRKVCX-JTQLQIEISA-N 422.890 4.864 5 50 HJBA Cc1cc(Cl)ccc1O[C@H](C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 2845056 LVXMFAWSJKXYII-LLVKDONJSA-N 418.862 4.800 5 50 HJBA Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])c2ccccc21 8432324 MTWSPFMBSBTZGV-CCEZHUSRSA-N 422.444 4.956 5 50 HJBA C[C@]1(OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]2C=C[C@H]1c1c(F)c(F)c(F)c(F)c12 136594411 VPKZZSFJSAQQRN-FQKDVGPYSA-N 407.319 4.908 5 50 HJBA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 170624831 NJTBPTINBLYOMG-SIFCLUCFSA-N 423.494 4.709 5 50 HJBA Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 1151734 RTPBCJFODDMJCZ-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1175229 RGELYSTWNNBICT-UHFFFAOYSA-N 402.385 4.839 5 50 HJBA Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1 5796926 SSNRRZGECVIQRH-LJQANCHMSA-N 408.435 4.920 5 50 HJBA Cc1ccc2c(c1)c1c3n2CCCN(Cc2cc4c(cc2[N+](=O)[O-])OCO4)[C@H]3CCC1 22078049 BNPNRADZMAVNJP-FQEVSTJZSA-N 419.481 4.870 5 50 HJBA C[C@H]1CCc2c(sc3nc(-c4ccc(-c5cccc([N+](=O)[O-])c5)o4)[nH]c(=O)c23)C1 1137493 XZRZTEHRNSVFAV-NSHDSACASA-N 407.451 4.945 5 50 HJBA O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 1211683 AWKHKHJAHJJKKG-UHFFFAOYSA-N 406.719 4.780 5 50 HJBA O=[N+]([O-])c1ccc(-c2noc(COc3ccc(Br)cc3Cl)n2)cc1 1169005 YBXWLYKJDOQWSA-UHFFFAOYSA-N 410.611 4.640 5 50 HJBA COc1ccccc1COc1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 2841647 VEATZMBLZLYJMY-UHFFFAOYSA-N 403.390 4.956 5 50 HJBA COC(=O)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] 753136 BZUMKCLQUMPLHI-UHFFFAOYSA-N 403.605 4.594 5 50 HJBA N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 17089039 XHUAWKYJWHUFRV-UHFFFAOYSA-N 411.723 4.745 5 50 HJBA Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)cc1[N+](=O)[O-] 1116948 CKMXCPOHWRRDDI-GLSWWRQESA-N 424.456 4.690 5 50 HJBA COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 1474761 AJPQQZMSMWZYBZ-UHFFFAOYSA-N 419.462 4.595 5 50 HJBA CC[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4578097 ODSYFWGBTKBMKT-HPXCNGPASA-N 412.939 4.522 5 50 HJBA Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 8431831 IFPUVXZTGVAEIA-XNTDXEJSSA-N 422.444 4.956 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(Br)cc1Cl 2850822 VVTWVDGNMFBFEM-UHFFFAOYSA-N 416.684 4.828 5 50 HJBA Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)O2)cc1 5058977 RLJQXQFKOYULIS-HMAPJEAMSA-N 414.417 4.827 5 50 HJBA COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccccc3)C[C@H]21 5676398 CWRAWRAZZSEDNZ-OFNKIYASSA-N 401.422 4.846 5 50 HJBA CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1[N+](=O)[O-] 2989277 GZOQSVQVOXIIDB-UHFFFAOYSA-N 419.437 4.807 5 50 HJBA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1193120 MWJGESHFFBZUTC-MOSHPQCFSA-N 418.380 4.657 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 1218018 YSQUJDFHRFRCHQ-UHFFFAOYSA-N 402.472 4.744 5 50 HJBA Cc1onc(-c2ccccc2Cl)c1C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 253389783 FPVGTJGAJPZJET-WEVXLUSXSA-N 403.930 4.869 5 50 HJBA biogenic O=C(Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1ccco1 861594 XQJJTRGCSYVJBM-UHFFFAOYSA-N 417.377 4.952 5 50 HJBA COc1c(COc2ccccc2[N+](=O)[O-])cc(C)cc1COc1ccccc1[N+](=O)[O-] 2990472 MAQPHRKITFLTIP-UHFFFAOYSA-N 424.409 4.978 5 50 HJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Cl)cc1Cl 2953855 FRYPKWXSGBJLBE-QPJJXVBHSA-N 411.310 4.964 5 50 HJBA COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 696020 FQUCMQQOLJUVHI-UHFFFAOYSA-N 410.451 4.600 5 50 HJBA Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C 1109488 QVUCOESJJWWVII-UHFFFAOYSA-N 404.422 4.726 5 50 HJBA O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 5052213 MRJSTHYPACUKKV-STZFKDTASA-N 400.390 4.518 5 50 HJBA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccc([N+](=O)[O-])c1C 663098 FVNOEUBQAFGLTB-UHFFFAOYSA-N 410.451 4.979 5 50 HJBA COc1ccc(-c2cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3oc2=O)cc1 1076203 XREXBBLMYBOHGG-UHFFFAOYSA-N 403.390 4.956 5 50 HJBA Cc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 2822484 KCSROIPNSSCGNY-JXMROGBWSA-N 424.507 4.553 5 50 HJBA COc1ccc(-c2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2C)cc1 1144425 KDLNSVUGDLRJML-UHFFFAOYSA-N 403.847 4.941 5 50 HJBA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5027997 GDYNCNBZMFRKBU-UHFFFAOYSA-N 408.502 4.828 5 50 HJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)C2CCCCCC2)cc1 2325899508 IHRTXPWQQISNMS-UHFFFAOYSA-N 417.487 4.735 5 50 HJBA O=C(OCc1ccc(Sc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cnccn1 1049479 OILVXNMWDHSICD-UHFFFAOYSA-N 401.831 4.546 5 50 HJBA Cc1c(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cccc1[N+](=O)[O-] 1179866 SLUPFVBYLTUNPW-UHFFFAOYSA-N 418.689 4.990 5 50 HJBA O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 4819054 TYBHRNRTHPFRPQ-UHFFFAOYSA-N 407.270 4.683 5 50 HJBA CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 225735739 YETXABURLMYIIA-PMACEKPBSA-N 402.516 4.583 5 50 HJBA O=C(Nc1nc2ccc(Br)cc2s1)c1ccc([N+](=O)[O-])cc1Cl 2740371 LJWRDVRZZPHKNU-UHFFFAOYSA-N 412.652 4.873 5 50 HJBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1[N+](=O)[O-] 1130825 IKXPGMVTNBJQKD-CYBMUJFWSA-N 401.488 4.634 5 50 HJBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Br 4589230 LWDJTYTUXJXSMK-UHFFFAOYSA-N 407.264 4.807 5 50 HJBA COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 1065187 JHPVJSZOSNRAMQ-UHFFFAOYSA-N 416.389 4.629 5 50 HJBA O=[N+]([O-])c1cccc(-c2noc(COc3ccc(Cl)cc3Br)n2)c1 1212615 PXVDOEDZCLUKRS-UHFFFAOYSA-N 410.611 4.640 5 50 HJBA O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc([N+](=O)[O-])cc1Cl 1068112 PNQITDNONQDOJD-UHFFFAOYSA-N 407.813 4.986 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)C)cc1Br 12382889 VYYAWQKFUKQUMM-UHFFFAOYSA-N 423.263 4.507 5 50 HJBA CCCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1 8400006 OVZHKEJLUWLJBT-UHFFFAOYSA-N 424.409 4.586 5 50 HJBA CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2C(=O)OC)C1 659520 MKGYLRVBYPUWEX-SNVBAGLBSA-N 422.890 4.864 5 50 HJBA CCCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 2918402 RYPDBWWGXGNBSX-SFHVURJKSA-N 409.471 4.842 5 50 HJBA COc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1[N+](=O)[O-] 2886539 KOAFGOCTDBUHMS-UHFFFAOYSA-N 416.389 4.629 5 50 HJBA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1153300 DFLUURMMSHWWRB-MRVPVSSYSA-N 412.254 4.917 5 50 HJBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O 1185569 UKYCDUXDMQGWFV-UHFFFAOYSA-N 416.389 4.629 5 50 HJBA COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1[N+](=O)[O-] 1208822 XEKWCXGHVPNASF-UHFFFAOYSA-N 419.393 4.678 5 50 HJBA O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 3877945 JFXXCTKLVVXACK-CQSZACIVSA-N 423.083 4.786 5 50 HJBA COC(=O)c1cc(C(=O)N2c3ccccc3Sc3ccccc32)cc([N+](=O)[O-])c1 985307 SGJOKYJETBDXMY-UHFFFAOYSA-N 406.419 4.825 5 50 HJBA biogenic C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 16286132 FGEIEHPQNIQPJU-TXEJJXNPSA-N 409.269 4.746 5 50 HJBA C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 170624833 NJTBPTINBLYOMG-QEEYODRMSA-N 423.494 4.709 5 50 HJBA COc1cc(COC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)ccc1[N+](=O)[O-] 2325727883 QBJMIPYOOKYDHU-RMKNXTFCSA-N 424.384 4.686 5 50 HJBA CCOC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1151157 WIZDINZTXYVTAL-LTGZKZEYSA-N 416.433 4.951 5 50 HJBA Cc1ccc([N+](=O)[O-])c(OCCOc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1 1793995 KLQZNUGWWBHASX-UHFFFAOYSA-N 424.409 4.848 5 50 HJBA COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1 5064992 DPPVYLGWQXIIRM-WWNPGLIZSA-N 400.434 4.852 5 50 HJBA COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1Cl 2965033 BINFGZYOKHRPAK-UHFFFAOYSA-N 402.790 4.778 5 50 HJBA COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)CCC(C)(C)O4 13382496 KJCDBAVVDILRMP-UHFFFAOYSA-N 410.466 4.978 5 50 HJBA endogenous,in-man CC[C@@H](NC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)c1ccc(C(C)C)cc1 653589 ZKXPVBFMXGXDAG-JOCHJYFZSA-N 406.486 4.844 5 50 HJBA Cc1c(C(=O)NC(=S)N(Cc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-] 1049968 PGPPSURVPNQOBS-UHFFFAOYSA-N 419.506 4.620 5 50 HJBA O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 13546617 KWDDIOGVLWCAGG-OQLLNIDSSA-N 408.357 4.850 5 50 HJBA CCCCOc1cccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c1 2844835 MPIKIHVHIJGMIE-WOJGMQOQSA-N 400.818 4.772 5 50 HJBA O=[N+]([O-])c1ccc(NCc2cccc(-c3nc(-c4ccncc4)no3)c2)c2ncccc12 170619654 PGKJSPAQDQLADT-UHFFFAOYSA-N 424.420 4.867 5 50 HJBA O=[N+]([O-])c1ccc(-c2ccc(-c3nn4c(Cc5ccccc5)nnc4s3)o2)cc1 4539855 PYSFPOYOUFLJQY-UHFFFAOYSA-N 403.423 4.612 5 50 HJBA COc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c([N+](=O)[O-])c1 9281580 NPFSKWWCZJQXIW-UHFFFAOYSA-N 416.389 4.629 5 50 HJBA CC(C)n1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)ccc2n1 170631511 WIAZAGMVKXQVFR-UHFFFAOYSA-N 407.474 4.768 5 50 HJBA N=c1c2c(=O)oc3ccccc3c2ccn1CCC1CCN(Cc2ccccc2)CC1 1776111147 AZDAFRVUFHQQLK-UHFFFAOYSA-N 413.521 4.529 5 50 HJBA CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C12CC3CC(CC(C3)C1)C2 4578100 KYDNOCNKZLBOST-HPXCNGPASA-N 412.939 4.522 5 50 HJBA Cc1cccc(OCCn2c(NC(=O)c3cccc([N+](=O)[O-])c3)nc3ccccc32)c1 1116746 XLJYYLHZMWLWOU-UHFFFAOYSA-N 416.437 4.584 5 50 HJBA Cc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1[N+](=O)[O-] 4817979 NRPUZZWVEWAXMJ-UHFFFAOYSA-N 414.508 4.996 5 50 HJBA C[C@H](NC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)c1ccc(C(C)(C)C)cc1 653164 QGXURXVGPIJLIT-INIZCTEOSA-N 406.486 4.628 5 50 HJBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc2nc3ccccc3nc12 241401111 NBFWQHUSMJBCCD-NTKDMRAZSA-N 408.505 4.540 5 50 HJBA CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 656944 ACNOCPNJKDQXNU-UHFFFAOYSA-N 424.478 4.990 5 50 HJBA CC(=O)c1cc(C(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)sc1Nc1ccccc1 12380063 GOXHREUMAKFLNB-UHFFFAOYSA-N 423.450 4.814 5 50 HJBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104135606 USQRFGKNZPLZEH-UHFFFAOYSA-N 422.353 4.639 5 50 HJBA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 1217817 YOCWKRTWZKYIMR-UHFFFAOYSA-N 421.844 4.851 5 50 HJBA CCC[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c2C(N)=O)C1 994646 MRBDQQIWWAOTBC-JTQLQIEISA-N 421.906 4.566 5 50 HJBA CCCCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 2918400 RYPDBWWGXGNBSX-GOSISDBHSA-N 409.471 4.842 5 50 HJBA Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2c1oc(=O)c1ccccc12 2991493 BXABQGFPLWTTJA-UHFFFAOYSA-N 400.839 4.676 5 50 HJBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](CC)C2 4558421 JZXIJOYJQUFQQY-LBPRGKRZSA-N 402.472 4.600 5 50 HJBA CCOc1ccc(C(=O)Nc2cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c2)cc1 2764388 KSNYZSMYMXNIOA-UHFFFAOYSA-N 416.327 4.525 5 50 HJBA O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 13930580 FNZPFZPJVZKVKU-MFOYZWKCSA-N 423.222 4.855 5 50 HJBA O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(c2c[nH]c3ncccc23)CC1 436141466 AHZSRZUPPFZENX-UHFFFAOYSA-N 422.488 4.577 5 50 HJBA O=C(c1cc([N+](=O)[O-])ccc1NCCc1ccccc1)N1CCCc2ccccc21 4820932 BSUPLDUUWYCTQI-UHFFFAOYSA-N 401.466 4.842 5 50 HJBA O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 2884697 VYVIXYJGZMYJMY-UHFFFAOYSA-N 409.829 4.682 5 50 HJBA COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1[N+](=O)[O-] 675465 JNCNWTGAKLWIAR-UHFFFAOYSA-N 403.394 4.972 5 50 HJBA COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 2767609 LBRNVHKBRWZWTN-JLHYYAGUSA-N 414.483 4.754 5 50 HJBA O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 3877944 JFXXCTKLVVXACK-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 4056321 VVFBJBWMKKAEBT-NTEUORMPSA-N 404.422 4.834 5 50 HJBA O=[N+]([O-])c1cccc(-c2ccc(CN3CCN4CCC[C@H]4[C@H]3C3CCCCC3)o2)c1 239305938 GFPBECZUZRCWCM-LADGPHEKSA-N 409.530 5.084 5 50 HJBA O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)ccc1Cl 9030229 LHCYZQMXTXRRDZ-UHFFFAOYSA-N 419.842 4.595 5 50 HJBA Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1C(C)C 4040805 IROTTYXXUIPGSC-UHFFFAOYSA-N 407.264 4.807 5 50 HJBA COc1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccccc2[N+](=O)[O-])C1 241586467 OWESFTSRDBIMOL-SFHVURJKSA-N 407.451 4.656 5 50 HJBA Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1Cl 1207085 QXAHKVPCKGYBNP-UHFFFAOYSA-N 407.817 4.543 5 50 HJBA O=C(Nc1ccc(Br)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12855448 CYBZBQRGAYZXMT-UHFFFAOYSA-N 424.682 4.863 5 50 HJBA COc1cc2c(cc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C)oc1ccccc12 12372180 XRYAKUUEFORYCA-UHFFFAOYSA-N 422.441 4.735 5 50 HJBA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12860640 WGUNDSFGWGXIFI-UHFFFAOYSA-N 421.884 4.878 5 50 HJBA Cc1ccccc1OCc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])n1C 2836560 OLJVEWBAIPYATE-UHFFFAOYSA-N 404.879 4.556 5 50 HJBA C[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 797333 XUPNLKDYUUFSPL-IAGOWNOFSA-N 417.465 4.577 5 50 HJBA Cc1cc(=O)c(C(=O)OCc2nc3ccccc3c3ccccc23)nn1-c1ccccc1 753597704 KUWXJWTUZQPDIO-UHFFFAOYSA-N 421.456 4.599 5 50 HJBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)o1 239378271 OMSQHOIMBIFLFS-UPVQGACJSA-N 409.530 5.084 5 50 HJBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(CSc2ccccc2)cc1 1150668 NHIJGDWKWLHXJT-UHFFFAOYSA-N 400.481 4.688 5 50 HJBA Cc1sc2ncn3nc(-c4ccc(COc5ccc([N+](=O)[O-])cc5)o4)nc3c2c1C 2791504 SNHGBRKKVXFVPU-UHFFFAOYSA-N 421.438 4.703 5 50 HJBA O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2872002 WAYIZPLLHXACIU-UHFFFAOYSA-N 424.463 4.591 5 50 HJBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nc2ccccc2s1 2977016 JFMKAJVOAZEPMX-UHFFFAOYSA-N 420.415 4.649 5 50 HJBA Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)/C=C/c3ccc(C)o3)c2)o1 8682339 HOKVZBUGMQEHAA-HZOWPXDZSA-N 421.409 4.701 5 50 HJBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)C)cc1Br 1127201 UYVXFNBXHRFGOO-UHFFFAOYSA-N 423.263 4.507 5 50 HJBA Cc1c(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cccc1[N+](=O)[O-] 1183440 FPCIMXUZRWTUMO-UHFFFAOYSA-N 403.463 4.601 5 50 HJBA CC(C)(C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)c1 2849605 CYUGLEXQWSVEDN-UHFFFAOYSA-N 407.264 4.672 5 50 HJBA CCCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC 4901939 LTKUZUUODZYFSP-UHFFFAOYSA-N 405.838 4.638 5 50 HJBA C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 13548579 XUPNLKDYUUFSPL-CALCHBBNSA-N 417.465 4.577 5 50 HJBA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4701926 XFKVYYBCVCXBTJ-UHFFFAOYSA-N 407.879 4.554 5 50 HJBA O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1C1CCCC1 4858563 WZLWGWRLJTVZTF-UHFFFAOYSA-N 409.493 4.652 5 50 HJBA COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 1109035 CQGLKNHJTMBQME-HNNXBMFYSA-N 420.421 4.506 5 50 HJBA Cc1cc(Oc2cccc(Oc3cnccn3)c2)nc(-c2cccc([N+](=O)[O-])c2)n1 1875262482 DGNFEURVRKSPIF-UHFFFAOYSA-N 401.382 4.735 5 50 HJBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1cc2ccccc2oc1=O 1208367 SUXGKVROIQAHOL-UHFFFAOYSA-N 400.390 4.929 5 50 HJBA CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 4814260 UOIXOUCISLDZCG-UHFFFAOYSA-N 412.471 4.832 5 50 HJBA CC[C@@H](Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)c1ccccc1 1108743 PTMPZGOXPBOBLJ-OAQYLSRUSA-N 404.422 4.887 5 50 HJBA O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1232126 ZRSJZNPWGKPVQW-AWEZNQCLSA-N 423.083 4.786 5 50 HJBA O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc([N+](=O)[O-])cc1 848282 BTYUXOZPUNDSCZ-UHFFFAOYSA-N 418.272 4.657 5 50 HJBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl 5048570 XICKADQPMHRCBG-UHFFFAOYSA-N 406.847 4.674 5 50 HJBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)[C@H]1[N+](=O)[O-] 245328246 UPLODQWJFKBBKR-WNRNVDISSA-N 424.284 4.696 5 50 HJBA COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 1109767 HRAXPCFVLJRAKV-UHFFFAOYSA-N 414.421 4.708 5 50 HJBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 1066797 NWJGOEYYARSFDS-UHFFFAOYSA-N 411.464 4.672 5 50 HJBA CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 1186533 VCRFPPOEODAFOW-UHFFFAOYSA-N 411.439 4.560 5 50 HJBA O=C(Oc1ccc(Br)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4846132 BFEGFTGWWKGKAF-UHFFFAOYSA-N 405.248 4.567 5 50 HJBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1-c1ccc(F)cc1 668867 QXNGMBOTYOABKV-UHFFFAOYSA-N 414.414 4.810 5 50 HJBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(-c2nc3cc(Cl)ccc3o2)c1 1210260 RHAJMNRKVAASGS-UHFFFAOYSA-N 419.780 4.857 5 50 HJBA O=[N+]([O-])c1ccc(CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 1077001 WGUNHAUCJVSZNE-UHFFFAOYSA-N 422.466 4.699 5 50 HJBA O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc([N+](=O)[O-])c1 1174397 MSLZWIRZLKRDPR-UHFFFAOYSA-N 418.434 4.530 5 50 HJBA Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc3c(c(-c4ccco4)c12)CCC3 9015822 RFSHLQARSJSRRR-UHFFFAOYSA-N 420.450 4.788 5 50 HJBA CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 239287407 CSHIGNMVWHCXNP-UPVQGACJSA-N 415.449 5.236 5 50 HJBA CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 17092471 UNQUCZJKQCBCSR-INIZCTEOSA-N 420.893 4.782 5 50 HJBA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 239339123 LSHRJXIGFWJEOH-ISKFKSNPSA-N 415.449 5.020 5 50 HJBA O=C(COc1ccc(Br)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 2874150 SNGALVYAGGGEPU-UHFFFAOYSA-N 420.046 4.682 5 50 HJBA CCOC(=O)c1ccc(COC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 1118860 KGEWOSBHRZPOGT-UHFFFAOYSA-N 421.405 4.921 5 50 HJBA Cc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)c([N+](=O)[O-])c1 4290134 XCXMCQNBAYGJJS-UHFFFAOYSA-N 421.291 4.981 5 50 HJBA O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 2582769 NYPXASXEXKSCCW-UHFFFAOYSA-N 401.669 4.742 5 50 HJBA O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1cccs1 1155011 BZUDHAJFGIRGAJ-UHFFFAOYSA-N 401.831 4.814 5 50 HJBA CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2c1c(=O)oc1ccccc12 717054 KSEJPKGEVRWPQN-UHFFFAOYSA-N 400.221 4.668 5 50 HJBA