smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1[N+](=O)[O-] 3355649 RYHBQTMLCRFLEL-UHFFFAOYSA-N 423.381 3.544 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 16046332 AKVNTYCSPSVPMD-UHFFFAOYSA-N 423.878 3.675 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](c1ccco1)N1CCCC1 24828884 ZTKHTQBQKCUGBU-QFIPXVFZSA-N 415.493 3.701 5 40 HHBB COc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1[N+](=O)[O-] 32126255 UHRRAYVMJZCPFJ-UHFFFAOYSA-N 424.442 3.639 5 40 HHBB CC(C)(C)OC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 82048827 MSWPANJTHYPMLA-SFHVURJKSA-N 400.431 3.774 5 40 HHBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 408576730 YFIDRNYYCAVOPK-KRWDZBQOSA-N 415.431 3.603 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)cc1[N+](=O)[O-] 408580124 AKIKGIHTZZEFKK-UHFFFAOYSA-N 418.406 3.735 5 40 HHBB CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409190152 LOFDRHSSLXEKQF-XDHOZWIPSA-N 403.394 3.850 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1cccc(Cl)c1 3275246 VETCVVVHQKMQOE-UVMWJGKXSA-N 404.806 3.840 5 40 HHBB Cn1cnnc1S[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3431655 LUWADQMYHKDNFE-HNNXBMFYSA-N 403.851 3.849 5 40 HHBB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 17093306 LDYAIODXKBYYDS-UHFFFAOYSA-N 422.875 3.993 5 40 HHBB C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC12CCCCC2 97143481 NGUHXFJIRYQTNC-KRWDZBQOSA-N 401.507 3.864 5 40 HHBB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225035945 FTVWNQZABQBILS-UHFFFAOYSA-N 403.229 3.712 5 40 HHBB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 4129686 VGRYBZAHSFECLB-NSHDSACASA-N 400.416 3.773 5 40 HHBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 9198599 LIIRWOBSOSFZQV-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(Cl)cc2)n1 12927328 YVCAIJLYDSAWNI-INIZCTEOSA-N 403.847 3.835 5 40 HHBB COc1ccc(NC(=O)[C@H](C)N2CCO[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 40154707 PUEVFUWZZZORGM-DJJJIMSYSA-N 419.865 3.657 5 40 HHBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 4724049 RYRVRRXLUNKDRQ-QGZVFWFLSA-N 410.821 3.767 5 40 HHBB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc([N+](=O)[O-])c1 14409776 JPDHIHIEYIZPED-UHFFFAOYSA-N 401.423 3.743 5 40 HHBB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] 28791185 VWKWUGVJAHDWNL-UHFFFAOYSA-N 420.443 3.836 5 40 HHBB COc1cc(CC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc(OC)c1OC 95946861 SOXRWWJXZOCDBG-UHFFFAOYSA-N 414.336 3.821 5 40 HHBB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2702631 OKFWRAUOOYEVNL-NVXWUHKLSA-N 417.487 3.833 5 40 HHBB CCc1c(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 27842754 CFYRXJSCNXPYKO-QGZVFWFLSA-N 419.485 3.599 5 40 HHBB C[C@@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 12536570 BKQVGTTYAULIDN-GFCCVEGCSA-N 409.533 3.857 5 40 HHBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCNC(=O)c1ccc(F)cc1F 15179128 LOYNOQWYOXEPDW-CYBMUJFWSA-N 405.401 3.603 5 40 HHBB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] 9510648 RCMDIMVKZUEMGI-CYBMUJFWSA-N 423.381 3.624 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 9057127 KUURWBUIZKEMQM-UHFFFAOYSA-N 415.402 3.787 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O 9234948 CSULCLKGWAKSDN-UHFFFAOYSA-N 403.394 3.872 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)c3)C(=O)[C@@H]2C1 408681383 JDOSQFMECMKSPJ-IAGOWNOFSA-N 423.400 3.832 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 408684151 OFSWQTKNSOKEPK-RTBURBONSA-N 405.410 3.693 5 40 HHBB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])o2)c1 409309469 HVUMYQBYOOCBFQ-DJWKRKHSSA-N 404.722 3.788 5 40 HHBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccnn1Cc1cccc(Br)c1 48369143 XGEFLVMNDNIOAX-UHFFFAOYSA-N 415.247 3.783 5 40 HHBB Cc1cc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)ccc1[N+](=O)[O-] 9639357 MXTCOOYELLHRGB-UHFFFAOYSA-N 413.743 3.548 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 14829987 UMMLIRYELMTLCX-UHFFFAOYSA-N 423.878 3.675 5 40 HHBB O=C1CCCc2nc3[nH]n(-c4ccccc4)c(=O)c3c(-c3ccccc3[N+](=O)[O-])c21 18195864 LJDXILVUFVSWBK-UHFFFAOYSA-N 400.394 3.808 5 40 HHBB C[C@@H](OC[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 23389754 BVVGIYYPRHOYME-VQIMIIECSA-N 419.909 3.509 5 40 HHBB Cc1cc(NC[C@H](c2ccc(C)o2)N2CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 48288488 YRQSWVUTXKEPBS-LJQANCHMSA-N 423.473 3.747 5 40 HHBB CNC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccc(C)cc1 1512854 UBXVKHUTDABIRK-CPNJWEJPSA-N 405.410 3.680 5 40 HHBB CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1 2236980 PNPAJAWCVZWSTF-UHFFFAOYSA-N 407.386 3.881 5 40 HHBB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 3225719 PTDJLAUWKZPTHV-UHFFFAOYSA-N 404.378 3.621 5 40 HHBB CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 4188605 ZGNFTMPRJKHBRH-UHFFFAOYSA-N 410.518 3.944 5 40 HHBB Cc1nn(CC(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1[N+](=O)[O-] 5130171 IKXWTYJBSRRRKL-UHFFFAOYSA-N 416.478 3.837 5 40 HHBB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 225014182 GAOCVKUHHAFLES-UHFFFAOYSA-N 412.851 3.640 5 40 HHBB COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2302886 VTBQKKDEYIQPAF-UHFFFAOYSA-N 413.481 3.937 5 40 HHBB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3331553 KXPLRBACKQHHEU-HNNXBMFYSA-N 422.825 3.706 5 40 HHBB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 6552994 DABJYHJICNXXJL-QHCPKHFHSA-N 401.422 3.785 5 40 HHBB C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@@H]1C 11226022 GQTKAGBMKMCPRQ-KBPBESRZSA-N 409.442 3.692 5 40 HHBB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)O[C@H](C)C2 12560462 DWDQSFQXWFUSKA-SNVBAGLBSA-N 412.851 3.771 5 40 HHBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 16637215 RNESACIKZROTPE-VAWYXSNFSA-N 412.471 3.860 5 40 HHBB O=C(O)c1cc([N+](=O)[O-])cnc1/C=C/C1=Cc2cc(Br)ccc2OC1 40154960 VDWCYIOLQGPHCM-HNQUOIGGSA-N 403.188 3.940 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 110570531 VEKGSQZLJLIFBP-JXXFODFXSA-N 409.486 3.961 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 408640914 KJNCWLGXFFOFSP-GFCCVEGCSA-N 403.822 3.557 5 40 HHBB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1C 409204940 MIJFCCDZLALYAH-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1[N+](=O)[O-] 6474735 MCMLKRMFGYOLFL-UHFFFAOYSA-N 404.422 3.586 5 40 HHBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OC 1011098 JMXKXGFFCCKIBC-IUXPMGMMSA-N 418.402 3.988 5 40 HHBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@H]1CC(=O)N(Cc2ccco2)C1 5204801 LTAFSHORZCVDNU-INIZCTEOSA-N 417.417 3.631 5 40 HHBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)CC1 409360442 PXESQSHXUXBDKO-DHDCSXOGSA-N 423.878 3.543 5 40 HHBB O=[N+]([O-])c1cc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)ccc1Cl 409345243 KKBACXNEVUCXQZ-UTCJRWHESA-N 404.722 3.788 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Cl)cc1 409160856 ZUNJPNDCOYQUQP-OQLLNIDSSA-N 417.830 3.923 5 40 HHBB COc1cc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] 224592253 YLFGJKOWYBVKNH-UHFFFAOYSA-N 420.834 3.793 5 40 HHBB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 8203114 CLWYCNIVHKUODZ-UHFFFAOYSA-N 411.487 3.737 5 40 HHBB CN(C)Cc1ccc(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9349124 PNKPFHJBYRSFEV-UHFFFAOYSA-N 424.423 3.794 5 40 HHBB OCCCNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 104358554 CCRANBSZLMWWKG-UHFFFAOYSA-N 414.494 3.548 5 40 HHBB CN(C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1Cl 8024113 DKEWRDNPELJZFE-IBGZPJMESA-N 402.882 3.855 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2cccc3ccccc23)CC1 24764659 OFMMHETZDVNGKV-UHFFFAOYSA-N 423.856 4.000 5 40 HHBB O=C(c1ccccc1)c1ccc(N2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1 71811755 UNXXJZDLQQMBKR-UHFFFAOYSA-N 402.454 3.543 5 40 HHBB O=C(c1ccc(Cl)s1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 5181406 DCJFVGWEXGIDMP-UHFFFAOYSA-N 408.892 3.882 5 40 HHBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2300163 YMFGCGAKHCZTJT-UHFFFAOYSA-N 413.481 3.855 5 40 HHBB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3263771 VURPLONLKBVTLY-UHFFFAOYSA-N 418.711 3.942 5 40 HHBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1C[C@@H]1CCCO1 4994508 OEFAKAVHKXYBML-KRWDZBQOSA-N 411.465 3.522 5 40 HHBB O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 6552570 AWLUHLKDUWFLOH-UHFFFAOYSA-N 403.244 3.678 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1[N+](=O)[O-] 17090639 NILRPZSTCFYKML-UHFFFAOYSA-N 416.484 3.957 5 40 HHBB COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCC2 1102470 UDGRHTLBPUAQFY-UHFFFAOYSA-N 404.444 3.648 5 40 HHBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 4121237 OQPAVCUPXYBJTD-UHFFFAOYSA-N 410.474 3.604 5 40 HHBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cccc1[N+](=O)[O-] 7387990 VHRJRJHNZLBXRL-UHFFFAOYSA-N 424.501 3.850 5 40 HHBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 3527749 XKMXDVMTFHXOKW-MRVPVSSYSA-N 423.353 3.774 5 40 HHBB COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270771 WLWAHOOFYPKNLB-UHFFFAOYSA-N 413.817 3.719 5 40 HHBB CSc1ncccc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 12975937 KKXWSKMJQFKGCZ-UHFFFAOYSA-N 411.443 3.567 5 40 HHBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(I)c1 14898831 NUAUFPKANFAGQB-UHFFFAOYSA-N 411.199 3.640 5 40 HHBB CCOC(=O)c1oc2ccccc2c1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 58230935 ALEGIEDPEOHYAB-UHFFFAOYSA-N 418.427 3.533 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1ccc(Br)cc1 3345710 GCUDQZSGWUAONU-LBPRGKRZSA-N 422.279 3.825 5 40 HHBB aggregator CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 7238922 KWTXLMRJUPYUIV-UHFFFAOYSA-N 416.858 3.997 5 40 HHBB COC[C@@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12550384 AFBDSHDREGUSBY-SJKOYZFVSA-N 422.279 3.662 5 40 HHBB Cc1cccc(N2C(=O)/C(=C/Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)n1 12651955 YCYHAZQQUTXLSK-GHRIWEEISA-N 400.394 3.938 5 40 HHBB COc1cc(C(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)c([N+](=O)[O-])cc1OC 89893774 ZFVHVJDERSIGPM-UHFFFAOYSA-N 414.462 3.545 5 40 HHBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408683146 KNCSAPXQFIIWFU-AYBZRNKSSA-N 421.453 3.573 5 40 HHBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C)c1C 3511345 NTVCJROLICUOSN-UHFFFAOYSA-N 420.443 3.554 5 40 HHBB Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 8767866 SXXXAEZQOAGDMI-UHFFFAOYSA-N 415.793 3.962 5 40 HHBB CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 17089163 LDXGALQXMRQZQK-UHFFFAOYSA-N 412.471 3.524 5 40 HHBB O=C(Nc1ccccc1OCC(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 33001125 COXDEYRHQKVAHU-UHFFFAOYSA-N 406.320 3.974 5 40 HHBB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 408625664 FDBOSOPXKQKLIC-UHFFFAOYSA-N 403.460 3.909 5 40 HHBB COc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCS2)cc1OC 28527461 DLIVPMNKDSPONZ-UHFFFAOYSA-N 415.471 3.794 5 40 HHBB O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)c1 409333525 SOPJZUONHNKYRZ-UTCJRWHESA-N 404.722 3.788 5 40 HHBB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)C[C@@H](C)O1 12756995 ZUTFJRICSCPRHT-PHIMTYICSA-N 410.883 3.566 5 40 HHBB COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 5788528 IQPDIQPMBQYIOZ-UHFFFAOYSA-N 414.443 3.616 5 40 HHBB Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 12341986 WVUJUHDUFZCDKG-UHFFFAOYSA-N 400.394 3.913 5 40 HHBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccc(F)cc3)nc21 2354976 ATRJAQVYBJKZJK-UHFFFAOYSA-N 401.397 3.696 5 40 HHBB O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4739204 MQPLGIDVILNXRD-UHFFFAOYSA-N 406.442 3.878 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCCCCC1 27744257 HJLWIRVRYWDULT-GOSISDBHSA-N 403.504 3.769 5 40 HHBB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 102179976 PPSMOBOWPJWWCF-SDDRHHMPSA-N 400.353 3.922 5 40 HHBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(-c2nc3ccccc3c(=O)o2)c1 704987 JLYCOCDNPVCPAL-UHFFFAOYSA-N 413.345 3.564 5 40 HHBB CCC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(Br)cc2)C1 799706 NNPOFVBMKCHAKU-SFHVURJKSA-N 418.247 3.815 5 40 HHBB COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2377008 XDAJFWDWFCBRTK-UHFFFAOYSA-N 423.835 3.723 5 40 HHBB O=C(OCc1ccc(Br)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9140276 DTNKOOOTWZNDIQ-UHFFFAOYSA-N 421.247 3.551 5 40 HHBB O=C(NCc1n[nH]c(=S)n1-c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 9369259 ZBUHNNOSOCHZEZ-UHFFFAOYSA-N 423.376 3.787 5 40 HHBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1 409348835 TXGUBRKPCVEOGR-LICLKQGHSA-N 411.439 3.887 5 40 HHBB CCOc1cc2c(cc1NC(=O)COc1c(C)cc(C)cc1[N+](=O)[O-])O[C@H](C)C2 12975770 RMJDDWHOLCYGOA-CQSZACIVSA-N 400.431 3.951 5 40 HHBB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 32905170 VVDNTVQHQPGGBV-UHFFFAOYSA-N 403.389 3.678 5 40 HHBB Cc1ccc(C)c(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222371791 SHRHAAJLSGVVAZ-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222866873 YMPXHIKMFPGRQJ-HNNXBMFYSA-N 415.465 3.608 5 40 HHBB C[C@H](NC(=O)c1ccccc1)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 3475991 HCHACROBBDCALA-HNNXBMFYSA-N 401.418 3.808 5 40 HHBB COc1cccc(CN(C)C(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)c1 12522149 OPCAXURIWACSOC-UHFFFAOYSA-N 402.450 3.727 5 40 HHBB COC(=O)c1c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc2c1C 15443328 SGMBIJCRRBBDAG-UHFFFAOYSA-N 420.469 3.560 5 40 HHBB O=C(c1ccccc1)c1ccc(N[C@@H]2CCN(C(=O)c3ccccn3)C2)c([N+](=O)[O-])c1 84519317 YXDBNEHXIQGXGB-GOSISDBHSA-N 416.437 3.547 5 40 HHBB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4840494 MZUCYMVAWZKTLM-UHFFFAOYSA-N 417.849 3.952 5 40 HHBB COc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1[N+](=O)[O-] 4846305 OEXJQJLHWZJZHE-UHFFFAOYSA-N 412.398 3.703 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 6362116 IASLUOGPZWAWDX-UHFFFAOYSA-N 407.231 3.720 5 40 HHBB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 16320842 COXKSHWZFYPGCH-UHFFFAOYSA-N 424.438 3.940 5 40 HHBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 205691237 FWQMVSAFJDZOHU-LZYBPNLTSA-N 416.411 3.681 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)o1 1303202 UMWKIGDUOONDRR-YBFXNURJSA-N 403.419 3.934 5 40 HHBB Cc1ccc(C)c(N2CCN(C(=O)c3c[nH]nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 4885787 GTMGQJLVLHOMNF-UHFFFAOYSA-N 405.458 3.564 5 40 HHBB Cc1csc(CCNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n1 24840048 SVAMABXUTQPINF-UHFFFAOYSA-N 424.548 3.579 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(NCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])c1 32936789 YLEQAZUCLPMPBZ-UHFFFAOYSA-N 407.492 3.560 5 40 HHBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 4677020 VTTCPPQJLPYSAX-ZHACJKMWSA-N 412.471 3.860 5 40 HHBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(Oc2ccccc2)cc1 9509660 VYGPISMFXIFUIV-UHFFFAOYSA-N 416.393 3.736 5 40 HHBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCc4ccccc4C3)c(O)n2n1 23157687 CAANWBMDPWKXJB-SFHVURJKSA-N 421.482 3.861 5 40 HHBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)NCCSc1ccccc1 32745270 DKHOJKJKCHBODB-UHFFFAOYSA-N 416.484 3.645 5 40 HHBB CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)c1 57994097 VXEMURZEPJNYPI-CQSZACIVSA-N 405.520 3.618 5 40 HHBB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220410323 VIXLNCOKKBUPLB-CQSZACIVSA-N 419.503 3.513 5 40 HHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)NCC(F)(F)F 3425959 MHYMWZOGHFTNBZ-UHFFFAOYSA-N 414.361 3.581 5 40 HHBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] 4306146 VKAIUNPRNDLQAE-UHFFFAOYSA-N 408.462 3.631 5 40 HHBB O=[N+]([O-])c1ccc(Nc2nc(Nc3ccccn3)nc(Nc3ccccn3)n2)cc1 8815561 ABACVFSQAPDFOQ-UHFFFAOYSA-N 401.390 3.801 5 40 HHBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] 9662508 BYNBBFDMNQXDCR-UHFFFAOYSA-N 421.385 3.728 5 40 HHBB CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1N1CCCCC1 15103761 VNCUFGAKYYGNOY-UHFFFAOYSA-N 400.454 3.795 5 40 HHBB Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n(C[C@H]2CCCO2)c1C 21567933 LJODGCBKWFYQJC-CQSZACIVSA-N 424.910 3.971 5 40 HHBB O=[N+]([O-])c1cccc(C2=C[C@H](c3cc(Br)ccc3F)n3nnnc3N2)c1 101060325 DLXMZEHISMDDSP-OAHLLOKOSA-N 417.198 3.539 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(C)c1C)S(C)(=O)=O 222373262 CZUOGAYHBZHXIH-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408638076 BARCKOTZMAXBGC-LBPRGKRZSA-N 418.247 3.657 5 40 HHBB CC1CCN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1 5219173 DKWVRIALLYOYTI-UHFFFAOYSA-N 410.522 3.662 5 40 HHBB Cc1nn(Cc2ccccc2Cl)c(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 13961329 CIRQHXRLORCUDU-UHFFFAOYSA-N 410.817 3.910 5 40 HHBB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 16175756 GHEWFJCHCYJVSX-SFHVURJKSA-N 411.483 3.613 5 40 HHBB O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 32975812 ZKHKZTFHYGJUCD-NRFANRHFSA-N 423.513 3.963 5 40 HHBB CCCCCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 100771445 DAECYOJSYCGTFP-TUNJDQDKSA-N 411.610 3.650 5 40 HHBB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408562167 NRHNYQLNERNWSQ-UHFFFAOYSA-N 406.464 3.578 5 40 HHBB CCOc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC 10546663 RGHVDXXASJYJHZ-CQSZACIVSA-N 424.457 3.898 5 40 HHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 13576727 LTSSNJKYSUGPMN-NIJIEXERSA-N 417.421 3.564 5 40 HHBB C[C@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)C1 33325268 IRSIVZNYIXZEEH-HNNXBMFYSA-N 422.441 3.949 5 40 HHBB C[C@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3436290 PBQQRLJRERSLEL-KTROKBFUSA-N 418.789 3.561 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12772569 OCXOZOCXTGSONC-UHFFFAOYSA-N 422.441 3.682 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 24579591 DSXWVARRVDFZOM-OAHLLOKOSA-N 417.487 3.719 5 40 HHBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(F)cc2)c1 32914259 CMCBUTOKDLBLDL-UHFFFAOYSA-N 422.416 3.828 5 40 HHBB Cc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 222372040 XAQUUIHNPQTFKY-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 223067495 MRQPNIWNEBZCFE-UHFFFAOYSA-N 423.450 3.599 5 40 HHBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)cc([N+](=O)[O-])c1 6143768 LSCLFJXHIZSALZ-OAHLLOKOSA-N 420.385 3.642 5 40 HHBB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8925875 GKJBEWNJZIYMLD-HXUWFJFHSA-N 418.409 3.515 5 40 HHBB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc2c(cc1[N+](=O)[O-])OCCO2 26564822 LLJOJBSFQDDQHW-UHFFFAOYSA-N 400.318 3.517 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 138429352 FKTXAJQBICUBOF-ACRUOGEOSA-N 415.405 3.646 5 40 HHBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1ccncc1 11614642 MRUIRWLMJMGVRD-OAQYLSRUSA-N 413.477 3.838 5 40 HHBB Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1 910471 XLLPRUYLEZGYKR-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 107734665 KBIPLOLALBXHSY-CQSZACIVSA-N 411.487 3.990 5 40 HHBB C[C@@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12918125 PVVXUFIXPDEQMU-ANYFNZRUSA-N 415.789 3.973 5 40 HHBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)cc1F 9186060 HMPPEPRKOKIITG-UHFFFAOYSA-N 419.384 3.659 5 40 HHBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408683148 KNCSAPXQFIIWFU-SUMDDJOVSA-N 421.453 3.573 5 40 HHBB Cc1ccc(C2=NN(C(=O)COc3ccc(C)nc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 8861986 MDWUCGYQGRCYDS-SFHVURJKSA-N 420.425 3.956 5 40 HHBB CCOc1cc2c(cc1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)O[C@@H](C)C2 12981178 PPRPNWPZAVWAJX-LBPRGKRZSA-N 402.472 3.969 5 40 HHBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C)cc1 222751463 MYEPMDPAINMQNL-KRWDZBQOSA-N 411.502 3.778 5 40 HHBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223035530 GBRFQFSIFFIXIZ-VQTJNVASSA-N 424.482 3.869 5 40 HHBB Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N2CCC(C)CC2)cc1 677384 PYXFAOVUXPHFCO-RCCKNPSSSA-N 407.470 3.933 5 40 HHBB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2702629 OKFWRAUOOYEVNL-DOTOQJQBSA-N 417.487 3.833 5 40 HHBB O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1C[C@H]1CCCO1 5065862 GAIAKVWPOPXCCI-MRXNPFEDSA-N 403.486 3.979 5 40 HHBB O=c1c2c(nc3n1CCCS3)c1cc(F)ccc1n2Cc1ccc([N+](=O)[O-])cc1 5484111 QJJWRZZGIXJWRN-UHFFFAOYSA-N 410.430 3.943 5 40 HHBB O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1cccc([N+](=O)[O-])c1 8927762 ZDLBQCXOLDFMEM-QHCPKHFHSA-N 420.396 3.741 5 40 HHBB C[C@@]1(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)Cc2ccccc2C(=O)O1 9192154 BDBJJUMILFESAV-NRFANRHFSA-N 423.450 3.752 5 40 HHBB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1Cl 15372938 NQXUYKQEWOSSNJ-UHFFFAOYSA-N 410.817 3.826 5 40 HHBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 30560927 RIJLBJWZLWJEBZ-CQSZACIVSA-N 424.457 3.803 5 40 HHBB CCCCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 66013451 GQVILTYTUGIWMB-UHFFFAOYSA-N 402.403 3.578 5 40 HHBB CNS(=O)(=O)c1ccc(N[C@H](c2cccc(OC)c2)C(C)(C)C)c([N+](=O)[O-])c1 79023788 PFQUPHOAXZLEHO-GOSISDBHSA-N 407.492 3.711 5 40 HHBB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220410657 GOCNSJBZLGVPOR-CQSZACIVSA-N 405.476 3.511 5 40 HHBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2424935 WUCZQNWPWXHGLV-UHFFFAOYSA-N 413.437 3.731 5 40 HHBB O=[N+]([O-])c1ccc(-c2cc(O)cc(Sc3nnnn3-c3ccccc3)c2O)cc1 2785139 WNNFXJJAXRELPL-UHFFFAOYSA-N 407.411 3.800 5 40 HHBB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 4276394 XZPAIMKZGPZKHI-INIZCTEOSA-N 404.785 3.654 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2C)o1 8571636 ZHCHGCDYBQDPQF-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)n2C[C@@H]2CCCO2)cc1 12643660 MURIXTREOUHCQV-INIZCTEOSA-N 413.459 3.587 5 40 HHBB CSCC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2[nH]1 32350240 VMLXYZFFJDPHEL-MRXNPFEDSA-N 410.459 3.572 5 40 HHBB CCN(Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1)C(=O)C(F)(F)F 44505862 TVSWLMQHULPNMD-UHFFFAOYSA-N 401.366 3.819 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Nc2ccccc2)s1 2653632 MLWNGEPSBQVXDL-UHFFFAOYSA-N 417.472 3.929 5 40 HHBB CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2C2CC2)c([N+](=O)[O-])c1 10837196 AJWUCAFSGDYXSL-UHFFFAOYSA-N 405.480 3.774 5 40 HHBB Nc1ccc(Cl)cc1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 16477595 AQHVVLBJOOGISY-LJQANCHMSA-N 417.874 3.898 5 40 HHBB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] 40115881 WYTGWAZWQBAHCD-RBUKOAKNSA-N 410.861 3.816 5 40 HHBB C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(OCCCOc2ccccc2)C1 84667943 OZADILGKXLPZSB-MRXNPFEDSA-N 424.457 3.876 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408639680 GUBSGVNYNSHUOC-SNVBAGLBSA-N 424.240 3.902 5 40 HHBB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 5451446 HHKQWYQFWXXUBA-UHFFFAOYSA-N 402.794 3.579 5 40 HHBB Cc1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C 9363997 ARZHETHDNMZIQU-UHFFFAOYSA-N 418.409 3.905 5 40 HHBB COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O 13573368 NQXRUPKQJUXMJX-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB CCOc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 16693169 BTUPYSRDHZAEGH-UHFFFAOYSA-N 423.391 3.975 5 40 HHBB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 24943181 QLHCVDKJBQXXOD-UHFFFAOYSA-N 400.822 3.536 5 40 HHBB Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 50534785 YGHQISFFYXTNJL-UHFFFAOYSA-N 407.517 3.566 5 40 HHBB O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408627128 KMCVJTJHDRVBBI-UHFFFAOYSA-N 404.879 3.975 5 40 HHBB COc1ccccc1CCNC(=O)CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 11025564 ITDAZIMVOLGVHG-UHFFFAOYSA-N 424.482 3.511 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc([N+](=O)[O-])c1 14409773 PYAXRYCZDAISST-UHFFFAOYSA-N 401.423 3.743 5 40 HHBB O=C(Nc1ccc(F)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 16428461 QBLOJNJGUNXXRK-UHFFFAOYSA-N 422.419 3.667 5 40 HHBB CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)Sc2c1nc(-c1ccccc1)n2C(C)=O 16777624 XWYKBTQDNVJRQJ-UHFFFAOYSA-N 421.438 3.939 5 40 HHBB COc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)O)ccc3OC)o2)c([N+](=O)[O-])c1 20140644 HJVOXZVXYIHNRL-UHFFFAOYSA-N 412.354 3.823 5 40 HHBB CSc1cccc(N2C[C@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 25834375 PCFHOVJXRAVZLH-GDBMZVCRSA-N 413.499 3.889 5 40 HHBB CCN1CCN(c2cc(NC(=O)c3cccc(OC)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229562 MTEFGJIPQALGER-UHFFFAOYSA-N 418.881 3.651 5 40 HHBB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1 408603378 GFMOWXGERXVGLA-GOSISDBHSA-N 415.471 3.991 5 40 HHBB Cc1cnc(NC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)cc2)s1 2761203 VPLUACVXYVKBEH-UHFFFAOYSA-N 422.264 3.619 5 40 HHBB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 5660132 JXNLKCNTGZXCNU-OAHLLOKOSA-N 411.458 3.941 5 40 HHBB aggregator O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cn3ccccc3n2)CC1 7285786 WSNBPKMJPYSJER-UHFFFAOYSA-N 405.380 3.584 5 40 HHBB O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 13000844 ATUJGADMPOQFLM-JNCPLXCYSA-N 412.486 3.845 5 40 HHBB CC(C)n1ccc2cc(C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)ccc21 524731431 XPWXZXIGZNZCPJ-YJBOKZPZSA-N 420.469 3.552 5 40 HHBB biogenic O=c1c2ccccc2nc(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1-c1ccccc1 5948166 LOOPQMIDVIPWBF-UHFFFAOYSA-N 402.366 3.793 5 40 HHBB CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12779252 HEDMZSFAKQTCIL-UHFFFAOYSA-N 411.845 3.790 5 40 HHBB COC(=O)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1 24982573 MILMMNVPVAAVEZ-QGZVFWFLSA-N 420.490 3.637 5 40 HHBB COc1ccc(NCc2cc(=O)oc3ccc4ccccc4c23)cc1NS(C)(=O)=O 30026535 HGPHXCJMHZFIPP-UHFFFAOYSA-N 424.478 3.938 5 40 HHBB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] 408629055 KFSITRVIRKVJTC-SNVBAGLBSA-N 403.460 3.531 5 40 HHBB Nc1nc(N2CCCCCC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 5139915 PODOLSYBWMIVPQ-UHFFFAOYSA-N 410.522 3.807 5 40 HHBB O=C(CNC(=O)c1ccccc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10040827 GVXIDDMKUBZMLH-UHFFFAOYSA-N 406.394 3.860 5 40 HHBB Cc1ccc(Sc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 13960239 HTKORJTXUQQZNO-RDGPPVDQSA-N 410.451 3.721 5 40 HHBB Cc1cc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)ccc1[N+](=O)[O-] 24758354 YDNFJRXEAOKKSX-UHFFFAOYSA-N 403.438 3.655 5 40 HHBB COc1cc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)c([N+](=O)[O-])cc1OC 2658187 MTXILTZFKCWCJA-QPEQYQDCSA-N 422.315 3.975 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C 4130178 HTNBCMOEQNYZLQ-XCLFUZPHSA-N 413.503 3.994 5 40 HHBB CCOc1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c([N+](=O)[O-])c1 9613259 GFZAQDAIPISQLC-UHFFFAOYSA-N 405.461 3.571 5 40 HHBB Cc1nn2c(nc1=O)SC[C@H](Sc1ccc([N+](=O)[O-])cc1)[C@@H]2c1ccccc1 16779244 JWZNVQXINFVYIM-IRXDYDNUSA-N 412.496 3.711 5 40 HHBB O=[N+]([O-])c1ccc(N2CCN(Cn3ccn(Cc4ccccc4)c3=S)CC2)cc1 24259720 HDNGRGPZHNPDKU-UHFFFAOYSA-N 409.515 3.755 5 40 HHBB O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 25242463 HCGAEHRAPZENQH-UHFFFAOYSA-N 413.817 3.593 5 40 HHBB Cc1ccc(-c2nn3c([C@@H]4[C@@H](C(=O)O)[C@H]5C=C[C@H]4C5)nc4ccccc4c3nc2=O)cc1 101018092 DWUYFBGGHLGZBM-FVCZOJIISA-N 424.460 3.603 5 40 HHBB COc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 1004234 DCGYQTVUZCMBID-UHFFFAOYSA-N 403.398 3.898 5 40 HHBB Cc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c(=O)c3ccccc23)cc1[N+](=O)[O-] 2749193 CEBWACDVGXHMFA-UHFFFAOYSA-N 401.378 3.968 5 40 HHBB Cc1ccc2c(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc(=O)oc2c1 4840264 BKRFNUSUUJNLDQ-UHFFFAOYSA-N 408.410 3.967 5 40 HHBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccccc1 7778519 KQIZRESEQNPPAV-LLVKDONJSA-N 411.336 3.596 5 40 HHBB Cc1cc(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccccc1[N+](=O)[O-] 12742058 JICNJWCPFONRMX-UHFFFAOYSA-N 418.331 3.720 5 40 HHBB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20142944 UMCKONKBIMHHFR-UHFFFAOYSA-N 419.821 3.808 5 40 HHBB CC(C)Cn1c(=N)c(C(=O)Nc2ccccc2Cl)cc2c(=O)n3ccccc3nc21 101346976 ZDZWRCNCUNILPN-UHFFFAOYSA-N 421.888 3.690 5 40 HHBB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 106754513 YRKIWBJOJSHSRB-SXGWCWSVSA-N 416.411 3.843 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(Cl)c1 409209616 GVCYHZRSWMDEBU-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB COc1cccc2sc(N3CCN(C(=O)/C=C/c4cccc([N+](=O)[O-])c4)CC3)nc12 15391695 AIRGAPHSRHBYPV-CMDGGOBGSA-N 424.482 3.575 5 40 HHBB Cn1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(-c2ccc3c(c2)OCCCO3)n1 25052948 WSKCOGAWLMJIDL-UHFFFAOYSA-N 412.377 3.548 5 40 HHBB Cc1ccc2nc(N3CCN(C(=O)/C=C/c4cccc([N+](=O)[O-])c4)CC3)sc2c1 5180898 ALNGCPLIPLTPOP-SOFGYWHQSA-N 408.483 3.875 5 40 HHBB CC(C)C(=O)Nc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 12750366 ZXIKPCJOMOKCQM-AWEZNQCLSA-N 401.488 3.986 5 40 HHBB COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)c1 59457340 ALRWERLBCKURIO-RQZCQDPDSA-N 415.427 3.718 5 40 HHBB CC(C)c1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222684062 WSLIVQSTPWVWDR-UHFFFAOYSA-N 419.503 3.903 5 40 HHBB Cc1nn(Cc2cccc(C(=O)NCc3c[nH]c4ccccc34)c2)c(C)c1[N+](=O)[O-] 653075 UOQZTLPKJGPVAS-UHFFFAOYSA-N 403.442 3.868 5 40 HHBB CCOC(=O)c1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OCC)c1C 1930529 DWOVNDOEHUHHJQ-UHFFFAOYSA-N 406.416 3.570 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(CCC(C)C)c(=O)c2ccccc12 2618773 UMUURBJESLUAFJ-UHFFFAOYSA-N 410.430 3.612 5 40 HHBB CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(c1ccccc1)c1ccccc1 12808578 LNAIPGLDIFPIDS-UHFFFAOYSA-N 401.422 3.870 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 32101192 FBOSGGHAEZDUNZ-MRXNPFEDSA-N 413.739 3.749 5 40 HHBB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2cc3ncccc3c3cccnc23)C1 108014267 CHABYFBMFMHOMU-MRXNPFEDSA-N 405.502 3.895 5 40 HHBB O=C(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1ccc([N+](=O)[O-])cc1 2364980 MPQLPAJOOJORPC-UHFFFAOYSA-N 424.420 3.783 5 40 HHBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Br)cc1 4182956 ITRWIJDBOPENIS-CYBMUJFWSA-N 404.264 3.708 5 40 HHBB Cc1nn(C)c(C)c1Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 32869564 LTUMONYAXCYNDJ-UHFFFAOYSA-N 421.523 3.546 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 101963331 VGQGPDKGUUSCDS-UHFFFAOYSA-N 401.118 3.970 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102735661 NHKZQPFXZRNZHB-OTWHNJEPSA-N 421.434 3.707 5 40 HHBB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3O)o2)cc1[N+](=O)[O-] 4891229 QRHBVNSZFCTPNS-NSHDSACASA-N 400.416 3.778 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccn1 9009612 QJSQWSSTSJCCFR-LJQANCHMSA-N 417.352 3.985 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C3=O 9209874 PIAHEMXTGXBBPT-JXFKEZNVSA-N 420.421 3.734 5 40 HHBB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 9332436 VUMSOKOXMUMQAZ-SFHVURJKSA-N 421.340 3.887 5 40 HHBB COC(=O)C(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 95997168 XHKCUOCKAOAPBY-UHFFFAOYSA-N 411.252 3.906 5 40 HHBB COc1cc(OC)c([N+](=O)[O-])cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222565926 BBEXCTUEDSFGBB-FJNPEDAXSA-N 400.460 3.596 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408686152 SCPPVUITDRHANX-SJLPKXTDSA-N 405.410 3.693 5 40 HHBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(nc(=S)[nH]c2O)N1 5072698 DQRRZAUFTDXKCE-CYBMUJFWSA-N 402.432 3.536 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 408639045 DYXZZWUTFSMGJE-JTQLQIEISA-N 424.240 3.902 5 40 HHBB COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1[N+](=O)[O-] 711940 IQPJQGYEHMKTEQ-QPEQYQDCSA-N 403.188 3.710 5 40 HHBB O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1cccc([N+](=O)[O-])c1 4703799 SBRKSEIOFXGTAF-UHFFFAOYSA-N 404.378 3.849 5 40 HHBB CCCCCn1c(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(=O)c2ccccc21 6472317 MAYJDFNLWBQCCP-UHFFFAOYSA-N 411.414 3.763 5 40 HHBB Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 9316450 IICQKAHGFSJYJN-UHFFFAOYSA-N 400.394 3.913 5 40 HHBB COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c([N+](=O)[O-])c1 15239886 KOJARIQLJKJNDD-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59514357 REJQBSCAMBAKKJ-MHWRWJLKSA-N 414.395 3.537 5 40 HHBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 138787806 NHEQYHAMNHUGOB-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB O=C(O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224759090 FIHJDXDQLPRCRN-UHFFFAOYSA-N 412.423 3.542 5 40 HHBB CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1 5644271 YJQSNIWJRVOMOL-UHFFFAOYSA-N 402.882 3.951 5 40 HHBB O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)c1ccccc1 9346123 JIXCYGAJKOEKSD-UHFFFAOYSA-N 420.523 3.841 5 40 HHBB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO 12787857 ZRGXWENPZMCPAJ-UHFFFAOYSA-N 421.519 3.714 5 40 HHBB O=C(O)c1ccccc1Sc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 3214801 YSCAOCQOFLWHLD-UHFFFAOYSA-N 407.347 3.738 5 40 HHBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCCC1 4833086 WVLQZTIJJGTYEL-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 5390917 MZSIBJDCJNOCKY-RMKNXTFCSA-N 406.261 3.884 5 40 HHBB CCc1ccc(NC(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 5694675 ZPWLNTZJRCHDNE-UHFFFAOYSA-N 411.458 3.943 5 40 HHBB COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@H]21 14858283 MLCZRFXGJOUFHE-AMXDTQDGSA-N 410.422 3.710 5 40 HHBB biogenic,in-vitro Cc1c(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)cccc1[N+](=O)[O-] 19121054 JTSYDTXQVZOGIC-UHFFFAOYSA-N 422.441 3.723 5 40 HHBB Cc1cc(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c(Cl)c1 20611890 KTABSFHUFXISQB-UHFFFAOYSA-N 419.865 3.719 5 40 HHBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104730 HXNJHMNIUSWTLS-BLLLJJGKSA-N 401.492 3.788 5 40 HHBB O=C(c1cc(-c2ccccc2Cl)on1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 40086774 KSZFBXRZGHTOCJ-UHFFFAOYSA-N 412.833 3.866 5 40 HHBB CC(C)NS(=O)(=O)c1ccc(NCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1 58174578 UVRNHSBQXVVKRE-UHFFFAOYSA-N 416.459 3.549 5 40 HHBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1c[nH]c2ccccc12 4138403 QDVFAGVUDFWYJC-UHFFFAOYSA-N 408.443 3.602 5 40 HHBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1C 7927446 YGPWNWLAZHLKHR-MRXNPFEDSA-N 403.504 3.893 5 40 HHBB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 7928232 AGXCUNNOZWNKAN-INIZCTEOSA-N 411.458 3.720 5 40 HHBB COc1cc(C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c([N+](=O)[O-])cc1OC 10330461 GYJMCXNNKXCYDL-HXUWFJFHSA-N 423.469 3.798 5 40 HHBB O=C(O)c1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl 17089744 QLEWBVYXYAHVLM-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)cc1 32441867 QMASNZOGQRVGDI-UHFFFAOYSA-N 412.467 3.790 5 40 HHBB CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 218054436 FLUFXAWUQSBSCA-UHFFFAOYSA-N 404.473 3.598 5 40 HHBB O=[N+]([O-])c1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)nc1 224019916 PWLPYJGBKFYSTQ-UHFFFAOYSA-N 406.895 3.678 5 40 HHBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)ncn3CCc2ccccc2)c1 8973609 QGYQDYLNWVQGHD-UHFFFAOYSA-N 422.466 3.988 5 40 HHBB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12592023 ZGQMBVSYNXAVPL-QGZVFWFLSA-N 419.485 3.601 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(CN2CCCC2)cs1 24968583 BOEXXMYMKUIGPO-UHFFFAOYSA-N 418.522 3.846 5 40 HHBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 32842237 BLIHEURTSPKPOJ-UHFFFAOYSA-N 411.886 3.854 5 40 HHBB C[C@H](C(=O)Nc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400788 RAURDVBQVZXBFE-CQSZACIVSA-N 413.455 3.541 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1[N+](=O)[O-] 409005986 HXFDYALBVOKSKT-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 4276395 XZPAIMKZGPZKHI-MRXNPFEDSA-N 404.785 3.654 5 40 HHBB Cc1nc(-c2ccc(CCNC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cc2)cs1 48245848 YCSPZXGJTQSFQF-UHFFFAOYSA-N 400.435 3.721 5 40 HHBB COc1ccc(CCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC 218050782 CPCHTZGEORHUJL-UHFFFAOYSA-N 404.488 3.594 5 40 HHBB O=C(CSc1nc(CNc2ccccc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl 9010269 XKUUEZVXFIXMFQ-UHFFFAOYSA-N 418.866 3.709 5 40 HHBB Cc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n(C)n1 105951866 LYPMQXKDPLMPPC-UHFFFAOYSA-N 411.384 3.511 5 40 HHBB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408638074 BARCKOTZMAXBGC-GFCCVEGCSA-N 418.247 3.657 5 40 HHBB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 4900842 JSPGKVKFCXUEQS-UHFFFAOYSA-N 424.501 3.850 5 40 HHBB COc1cc(C(=O)NC2CCN(C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9513592 MNEIALOVGXCYMY-UHFFFAOYSA-N 419.865 3.873 5 40 HHBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] 17093775 QYROVNVDXFGKJO-UHFFFAOYSA-N 424.276 3.801 5 40 HHBB CN(c1cc2c3c(cccc3c1)NC2=O)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4277576 QLYPOGOZERQDMK-UHFFFAOYSA-N 417.830 3.792 5 40 HHBB CC1(C)C[C@@H](N)C[C@](C)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 4284110 RXZUTZHCCRCZKR-BZNIZROVSA-N 423.457 3.844 5 40 HHBB O=[N+]([O-])c1cc([N+](=O)[O-])c2c(NCc3ccccc3)n(Cc3ccccc3)[n+]([O-])c2c1 12376504 QWAYGKFBRGFOTC-UHFFFAOYSA-N 419.397 3.752 5 40 HHBB Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n(C[C@@H]2CCCO2)c1C 21567931 LJODGCBKWFYQJC-AWEZNQCLSA-N 424.910 3.971 5 40 HHBB COc1cc(C(=O)OCc2cn3cc(C)ccc3n2)c([N+](=O)[O-])cc1OC(F)F 31170517 QUKPFHJMNPKVHW-UHFFFAOYSA-N 407.329 3.518 5 40 HHBB Cc1nc(N2CCOCC2)nc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 8995441 OTHRZSWYNXAXGW-UHFFFAOYSA-N 417.775 3.946 5 40 HHBB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1[N+](=O)[O-] 11451463 PAGPMIYXXLSOIQ-UHFFFAOYSA-N 424.438 3.864 5 40 HHBB CSc1ccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 12899875 IHYPSXCDHGCXMC-GOEBONIOSA-N 413.499 3.889 5 40 HHBB Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)c1 20095924 WWPQVGUZJZWDMA-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]21 169682300 JGFKJRJPMAOZLQ-OJXGSEEGSA-N 403.232 3.615 5 40 HHBB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccc([N+](=O)[O-])c1 409135149 VAIYYTHENSJQOU-BBRMVZONSA-N 403.508 3.660 5 40 HHBB Cc1cc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)ccc1[N+](=O)[O-] 609674032 UGTLCRSYJAUYQV-INIZCTEOSA-N 415.515 3.508 5 40 HHBB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 20610039 IMMAIDWXYWUNPV-LFYBBSHMSA-N 415.409 3.989 5 40 HHBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1O 408542459 JPTCKVZFKSUJBZ-PLNGDYQASA-N 416.171 3.771 5 40 HHBB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 5211087 FSUVIYJGNJKGQA-HNNXBMFYSA-N 408.414 3.581 5 40 HHBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2N2CCOCC2)cc1 22762179 OLCTZJLKEGMTCQ-VZCXRCSSSA-N 416.890 3.979 5 40 HHBB O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl 72096800 GQGIQLOWLJHGAR-OAHLLOKOSA-N 409.826 3.541 5 40 HHBB COCCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O 95470796 IDHLOBUGGZFZAH-UHFFFAOYSA-N 405.410 3.997 5 40 HHBB O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)nc1 224015125 QRJLREGTQBLKII-UHFFFAOYSA-N 406.895 3.678 5 40 HHBB COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccccc4)nc3oc2c1 2327895 HFKHINWEIVVDMT-UHFFFAOYSA-N 400.390 3.820 5 40 HHBB COc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1[N+](=O)[O-] 6507447 HTNICWUDKAWCNZ-UHFFFAOYSA-N 412.427 3.938 5 40 HHBB COc1ccc(-c2nnn(Cc3cc(=O)oc4ccc5ccccc5c34)n2)cc1OC 9453752 MZJNJNQXHNGUKV-UHFFFAOYSA-N 414.421 3.665 5 40 HHBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 14232233 CSQRURZGOXQUFQ-CQSZACIVSA-N 414.483 3.903 5 40 HHBB CN(C)C1(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCCCCC1 24982809 ZDRZXCBMYAWJTE-UHFFFAOYSA-N 405.542 3.926 5 40 HHBB Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 869884 SWKMADRUFVXSBC-UHFFFAOYSA-N 403.851 3.775 5 40 HHBB COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)cnc21 2246011 SVSFNDAEUTZTJY-UHFFFAOYSA-N 413.481 3.688 5 40 HHBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)c1 2247416 KRHAIXCKZYIEKI-KRWDZBQOSA-N 411.465 3.771 5 40 HHBB CCOc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)Cc2ccco2)cc1 2651439 UVYQNAPBPTXMHL-UHFFFAOYSA-N 416.455 3.978 5 40 HHBB COC(=O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 3146590 DONCANPEADNVBQ-UHFFFAOYSA-N 418.361 3.974 5 40 HHBB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1C[C@H]1CCCO1 3337067 CNUNIMDCCPGXSE-OAHLLOKOSA-N 420.849 3.885 5 40 HHBB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 6156092 YFKHYWSYFIDZMM-UHFFFAOYSA-N 400.416 3.774 5 40 HHBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1I 6278495 OFGZIMKQLMNQTE-UHFFFAOYSA-N 400.147 3.899 5 40 HHBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc2c(c1)OCO2 13956329 JDUSKORRERQNHH-UHFFFAOYSA-N 412.427 3.577 5 40 HHBB Cc1nc(Sc2nc([N+](=O)[O-])nn2Cc2ccc(Br)cc2)oc1C 19828063 MCSAMUXGAZUVEM-UHFFFAOYSA-N 410.253 3.753 5 40 HHBB O=C(OCc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 23079058 ACTXKHIAINLIJE-UHFFFAOYSA-N 421.247 3.551 5 40 HHBB Cc1cccc(C)c1OCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 40113688 LGBGFJRRKKFONL-UHFFFAOYSA-N 400.478 3.967 5 40 HHBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 787720 IZJVMXDCONVMNR-UHFFFAOYSA-N 419.368 3.634 5 40 HHBB CC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1 850971 YHDFOPZBGZHOOD-UYRXBGFRSA-N 419.393 3.800 5 40 HHBB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4954265 FYHKYMYJSFEVJX-LBPRGKRZSA-N 412.427 3.967 5 40 HHBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCCS1(=O)=O 21756454 WUBQSQPGWZYUHF-UHFFFAOYSA-N 423.878 3.739 5 40 HHBB CSCC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2[nH]1 32350241 VMLXYZFFJDPHEL-INIZCTEOSA-N 410.459 3.572 5 40 HHBB COc1cccc(NC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 408673586 TZXNOZDJBBGQAB-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB O=c1/c(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)sc2nc3ccccc3n12 408840968 HUVZVGYXDWCZAO-VCHYOVAHSA-N 407.382 3.764 5 40 HHBB O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccccc1[N+](=O)[O-] 832140 JTOZQGNOJFPPCL-LCYFTJDESA-N 420.162 3.544 5 40 HHBB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13522392 RHAHLQYOCJQBIQ-MRVPVSSYSA-N 417.727 3.846 5 40 HHBB COc1ccc(CN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 24118760 JIUWROOPQYNICV-UHFFFAOYSA-N 411.483 3.776 5 40 HHBB CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 102864815 NOMVSDQTOAIXOV-FGTMMUONSA-N 415.833 3.503 5 40 HHBB COc1ccc(-c2ccc(C(=O)n3c(C)c(C(N)=O)c4ccccc43)o2)c([N+](=O)[O-])c1 226767948 YSSXLDFFUKZAOD-UHFFFAOYSA-N 419.393 3.914 5 40 HHBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)c(Cl)c1 408646973 QSCMIDAWCDMOKK-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB O=C1S[C@@H](Nc2ccc(Br)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 2272895 GFUKYGATKQOAAS-CQSZACIVSA-N 422.260 3.991 5 40 HHBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2418348 GJSZIWYHGDVWDH-CYBMUJFWSA-N 413.437 3.983 5 40 HHBB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187985 AEGJEIWRSSKDJR-HNNXBMFYSA-N 421.428 3.925 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(I)cc1F 17089083 WZMWGOIPUAOVDS-QPJJXVBHSA-N 412.158 3.990 5 40 HHBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1F 22006665 UERFNMTZSPSAKT-UHFFFAOYSA-N 421.841 3.914 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225708821 PGAPPMFMWJFJDR-UHFFFAOYSA-N 407.473 3.661 5 40 HHBB CCOC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 1467219 SGHSJTIUQGWTGJ-GOSISDBHSA-N 405.414 3.705 5 40 HHBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 59294508 ZGGHDVCRLCPKKP-UHFFFAOYSA-N 407.864 3.688 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nccc(C(F)(F)F)n1 26476964 WHPGJDJMLMTEHL-MRVPVSSYSA-N 402.354 3.532 5 40 HHBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1[N+](=O)[O-] 9129048 FUKYBALJCYIZQD-UHFFFAOYSA-N 411.326 3.559 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 13645178 INEDVKVVWCQTTM-HKBOAZHASA-N 415.405 3.646 5 40 HHBB Cc1ccc([C@@](O)(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)o1 30597591 XRFVYMAAEXOIOA-HNNXBMFYSA-N 406.744 3.720 5 40 HHBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1 5208498 NAHAHLABGUKVTM-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)c1 5294903 YERLYQRLFRIMTL-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB C[C@@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 6038495 DYRHBOUFJKTBLL-MRXNPFEDSA-N 417.506 3.969 5 40 HHBB CCCCSc1nnc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 9290163 FAOUEDTYRCCXRZ-UHFFFAOYSA-N 424.533 3.946 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCSc1ccc(Cl)cc1 9439786 JNTWCCMJUZBBTR-UHFFFAOYSA-N 424.862 3.921 5 40 HHBB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 13057236 YKCYCTFPOXFZCZ-UHFFFAOYSA-N 414.849 3.846 5 40 HHBB CSc1ncccc1C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 14376355 NAHWBKOEUIHVOT-OAHLLOKOSA-N 403.460 3.525 5 40 HHBB O=c1c2ccc(-c3ccccc3)cc2c(O)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16493247 NGGLLQKZAXUWOU-UHFFFAOYSA-N 404.338 3.575 5 40 HHBB Cc1ccc2nc3nc(NC4CCCC4)c(C(=O)NC4CCCC4)cc3c(=O)n2c1 20059585 YBGAFRSMCXFMNI-UHFFFAOYSA-N 405.502 3.578 5 40 HHBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2c(C)cc(C)cc21 100910512 DFJIGVCIFOCMFO-MRCUWXFGSA-N 413.455 3.532 5 40 HHBB CCOc1ccc(NC(=O)OC(CN(CC)CC)CN(CC)CC)c([N+](=O)[O-])c1 4128038 BTVMITRPANETKY-UHFFFAOYSA-N 410.515 3.594 5 40 HHBB O=c1c2ccccc2nc(Cc2cccc([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1 4872100 JKGDTPACLTZYIN-UHFFFAOYSA-N 402.366 3.793 5 40 HHBB CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409357281 IFRFYCOPSCUIMU-WOJGMQOQSA-N 412.423 3.913 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1[N+](=O)[O-] 408615998 DSNQNURBOZWWQQ-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 222649440 UJEHBRXHYJFQQI-QQGDVQBRSA-N 414.487 3.986 5 40 HHBB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222522760 GKSRGPIDSTYBPV-LJQANCHMSA-N 419.503 3.902 5 40 HHBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)cc1 3326011 NITAMSYAXCUEGS-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])nnc3c2c1 4954425 RRSNOHJTVPYJIU-UHFFFAOYSA-N 408.443 3.762 5 40 HHBB Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16293557 ZJTXZVHVAGIDPF-UHFFFAOYSA-N 423.391 3.650 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCc1cc(=O)n2c(n1)sc1ccccc12 32910003 AOIFJDLBVNITAL-CMDGGOBGSA-N 407.407 3.574 5 40 HHBB COc1ccc(NC(=O)[C@@H](C)N2CCO[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 40154708 PUEVFUWZZZORGM-YJYMSZOUSA-N 419.865 3.657 5 40 HHBB COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2228170 JVIWQCJUGBSZBY-UHFFFAOYSA-N 405.845 3.583 5 40 HHBB CC[C@@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 2616925 GOZNIEBJFLFQPB-SNVBAGLBSA-N 409.489 3.582 5 40 HHBB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nnc3c2c1 4954424 JPBDSWMABNOUOW-UHFFFAOYSA-N 408.443 3.762 5 40 HHBB O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1Cc1ccncc1)CCCC2 5264415 WGGFTUDUBOFMAJ-UHFFFAOYSA-N 408.483 3.766 5 40 HHBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409176761 WZINHRADVBOVNM-GZTJUZNOSA-N 411.439 3.832 5 40 HHBB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc1c32 1838587 BKYOASXLDTUDIG-BQYQJAHWSA-N 418.405 3.938 5 40 HHBB Cc1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cccc1C(=O)O 17092014 VXHUQZHTQLYTPV-SOFGYWHQSA-N 419.846 3.781 5 40 HHBB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 33626874 CEYZWBYWCVOQRR-CQSZACIVSA-N 411.487 3.815 5 40 HHBB COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 3878306 DVFZZXGPNCNGNM-UHFFFAOYSA-N 424.818 3.890 5 40 HHBB Cc1c(NC(=O)CCC2CCCCC2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-] 4717694 ITOXQLXHCBYZGO-UHFFFAOYSA-N 409.508 3.643 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 5270090 ANOMSJYMYUTBLT-UHFFFAOYSA-N 407.426 3.683 5 40 HHBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 7387987 YKIFEGKJYZLXME-UHFFFAOYSA-N 410.474 3.542 5 40 HHBB COc1cc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC 7779559 AZCSZDBFKOTKMN-URNNUDQISA-N 417.458 3.943 5 40 HHBB O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])cc1 9076564 HUXIGYFGXHQPKQ-UHFFFAOYSA-N 419.422 3.925 5 40 HHBB CCCn1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3ccccc3nc21 9320439 ZURKURJVUXRLTR-UHFFFAOYSA-N 411.443 3.704 5 40 HHBB COc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17089876 ZHIOKUWDSBFPQB-UHFFFAOYSA-N 414.487 3.721 5 40 HHBB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] 408629054 KFSITRVIRKVJTC-JTQLQIEISA-N 403.460 3.531 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3177216 VKTIMXATUAVGEB-OBGWFSINSA-N 405.454 3.997 5 40 HHBB CC(=O)Oc1cn(Cc2ccc3c(c2)OCO3)c2nc(C)n3c4ccccc4nc3c12 13228194 TURRKWAQNNUXRQ-UHFFFAOYSA-N 414.421 3.848 5 40 HHBB CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] 89361466 JCUPEWJVDCMZPQ-UHFFFAOYSA-N 402.394 3.618 5 40 HHBB O=C(NCCc1ccc(CCNC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 3845568 RVPKVTANJZEJIB-UHFFFAOYSA-N 417.465 3.540 5 40 HHBB biogenic CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222415563 ZKNBWNBWDUJPGH-HXUWFJFHSA-N 411.502 3.778 5 40 HHBB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1051788 LIJXRTANKMRDHA-INIZCTEOSA-N 405.794 3.699 5 40 HHBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc([N+](=O)[O-])cc1 9404451 SFRLNMCOODQFDD-UHFFFAOYSA-N 411.399 3.688 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(N(C)CCCNc2ccccc2)c([N+](=O)[O-])c1 57265102 SRZHRFQCLCJSIK-UHFFFAOYSA-N 420.535 3.564 5 40 HHBB O=[N+]([O-])c1ccc(-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc23)cc1 66352023 YGQURMQHUGDYAO-UHFFFAOYSA-N 424.482 3.835 5 40 HHBB Cc1ccc(C)c(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 408705588 JBKVKSGWJIEQBO-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 12643378 YHNJMABKJBNVPU-UHFFFAOYSA-N 403.851 3.556 5 40 HHBB COc1cccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 59200336 UQGDCBBDAMAXFR-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB CC(=O)c1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 3044977 FLHGSXUSPVLZGP-UHFFFAOYSA-N 405.322 3.659 5 40 HHBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17092436 GVTGUWSJRLIUND-UHFFFAOYSA-N 420.809 3.554 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 17093307 QPHJHYRPTVJRTI-UHFFFAOYSA-N 422.875 3.993 5 40 HHBB Cc1cc(=O)c(C(=O)N[C@H](c2cccs2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 19312204 RIMPIDWOFFFDOY-SFHVURJKSA-N 412.471 3.638 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(COCc2ccccc2)c1 32441991 VZUNIACGGKNEDX-UHFFFAOYSA-N 412.467 3.790 5 40 HHBB COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408571061 NDANDNJECIRFIM-SFHVURJKSA-N 412.471 3.781 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 408624557 XSLDQEGOAFBONZ-UHFFFAOYSA-N 405.410 3.794 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 409256237 KUNUCQKXPZSQCO-UHFFFAOYSA-N 419.503 3.551 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1349271 DBTOWPBBVRLTGV-UHFFFAOYSA-N 412.446 3.820 5 40 HHBB Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c1oc(=O)c1ccccc12 4073688 HZWVSGUDWHUFOI-GKVSMKOHSA-N 421.493 3.787 5 40 HHBB biogenic CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5119783 UZHVXNOFMCHUPQ-HXUWFJFHSA-N 416.499 3.548 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304417 KMDVAIZQQJPYNP-UHFFFAOYSA-N 400.394 3.605 5 40 HHBB Cc1nnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 14715547 OASDHASYBBYBQT-UHFFFAOYSA-N 415.397 3.629 5 40 HHBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1N1CCCC1=O 32921645 OYNVCDRCWAWAMP-UHFFFAOYSA-N 408.458 3.883 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 95351447 GDWBQBZWQOKNGX-UHFFFAOYSA-N 423.391 3.707 5 40 HHBB Cc1ccc(Sc2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 102014931 HTKORJTXUQQZNO-CADBVGFASA-N 410.451 3.721 5 40 HHBB O=C(Nc1ccc(Cl)cc1F)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102833099 CIHIEARCUKYCOE-VMFHFQHDSA-N 419.844 3.913 5 40 HHBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C)c1 222715627 SGVPOJMZKDFUKR-KRWDZBQOSA-N 411.502 3.778 5 40 HHBB CCOc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 4600044 JZULIDNPMVGANG-UHFFFAOYSA-N 400.456 3.984 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 8472361 YYHXWNMYBYUAHQ-MOPGFXCFSA-N 405.410 3.693 5 40 HHBB Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2n1 9572171 NFSNDNJBPRNLMP-UHFFFAOYSA-N 423.454 3.722 5 40 HHBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1Cl 20610800 KBHCOQAGAFLIES-UHFFFAOYSA-N 413.777 3.836 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225056740 VKLJUGHZFGNBSP-QZTJIDSGSA-N 411.502 3.778 5 40 HHBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1O 408603037 AJTZACPECRLMLY-UHFFFAOYSA-N 400.172 3.526 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 408646147 VPXQWAQRIDKQJF-GFCCVEGCSA-N 403.822 3.557 5 40 HHBB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2617433 NYZTYZKDYSYPDS-GFCCVEGCSA-N 404.806 3.782 5 40 HHBB O=c1c2ccccc2[nH]c2ccc(Oc3ccc(S(=O)(=O)N4CCCC4)cn3)cc12 12606575 FVJSSEQYRJQYBA-UHFFFAOYSA-N 421.478 3.653 5 40 HHBB Cc1cc(=O)c(C(=O)NCCc2ccc(C(C)C)cc2)nn1-c1ccccc1[N+](=O)[O-] 12786611 MZWUOCYSZPSZAS-UHFFFAOYSA-N 420.469 3.545 5 40 HHBB CC[C@H](c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1)n1cc([N+](=O)[O-])cn1 17087901 VUTRZBKQBKTVLA-GFCCVEGCSA-N 408.447 3.608 5 40 HHBB Cc1c(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cccc1[N+](=O)[O-] 17088844 MBQUDQLQFDMLNO-UHFFFAOYSA-N 411.439 3.782 5 40 HHBB Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)cccc1[N+](=O)[O-] 32115766 YWNKTNQORCQUAY-UHFFFAOYSA-N 424.438 3.875 5 40 HHBB Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)cc1[N+](=O)[O-] 408583694 WRKWQKLTCDOOEL-UHFFFAOYSA-N 412.393 3.932 5 40 HHBB CC[C@H](C)NC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845304 DZKLOYHNEWQWBE-JTQLQIEISA-N 407.352 3.852 5 40 HHBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cc2c(cc1Cl)OCO2 4611434 DBJNASKGGJTQTF-BASWHVEKSA-N 407.165 3.975 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 10060518 UORYTLCNMKAGTG-UHFFFAOYSA-N 417.377 3.781 5 40 HHBB O=C(Nc1nnc(C2CCCCC2)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12763026 CYNFFHGLBKYLDZ-UHFFFAOYSA-N 417.491 3.583 5 40 HHBB Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-] 14629879 XVTLDNHVNXELKH-UHFFFAOYSA-N 415.318 3.561 5 40 HHBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1 17093035 MEMZDINTLHCRRZ-UHFFFAOYSA-N 422.466 3.805 5 40 HHBB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 20609663 OWOPOLXYXHDLAX-UHFFFAOYSA-N 408.443 3.966 5 40 HHBB CC[C@@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 25063123 KHFIVESICYFNDK-MRXNPFEDSA-N 421.544 3.955 5 40 HHBB Cc1nc(Nc2cccc([N+](=O)[O-])c2)nc(Nc2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 49762919 MROXKTQIONINEZ-UHFFFAOYSA-N 411.334 3.997 5 40 HHBB CC(=O)c1ccc(OCCCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 3416965 ZGERCYYIKBWUQP-UHFFFAOYSA-N 415.398 3.566 5 40 HHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2ccc(F)cc2)c1=O 5269067 WLCVTQYCCNWINJ-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 7594397 UCLJYTDXRLSTKS-UHFFFAOYSA-N 413.817 3.719 5 40 HHBB COc1ccc(CN(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(OC)c1OC 14250412 YNICCYFWFOCEHH-UHFFFAOYSA-N 406.460 3.615 5 40 HHBB C[C@@H](OC[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 23389750 BVVGIYYPRHOYME-APWZRJJASA-N 419.909 3.509 5 40 HHBB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 15534230 IERBXOKGJNZXMP-UHFFFAOYSA-N 403.866 3.998 5 40 HHBB COCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409141511 IXAKQGDWAOIHBD-LDADJPATSA-N 414.439 3.857 5 40 HHBB O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ccccc1[N+](=O)[O-] 6446080 YSPJMQWEZZLQOP-UHFFFAOYSA-N 416.484 3.502 5 40 HHBB COc1ccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 7759346 WBNDWWZZRHXBMO-UHFFFAOYSA-N 402.794 3.579 5 40 HHBB Cc1ccccc1NC(=O)CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12 9829059 NHHFDSRINBXLAU-UHFFFAOYSA-N 420.454 3.739 5 40 HHBB COC[C@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12550391 AFBDSHDREGUSBY-SJCJKPOMSA-N 422.279 3.662 5 40 HHBB COc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c([N+](=O)[O-])cc1OC(F)F 12782783 UZELXHXFQUUPHE-UHFFFAOYSA-N 421.360 3.783 5 40 HHBB Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 89669163 UCCMHIHSNRILFW-JOCHJYFZSA-N 405.454 3.861 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 408639355 FUWIOGRVMXQECW-HNNXBMFYSA-N 405.410 3.748 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)c3)C(=O)[C@H]2C1 408681384 JDOSQFMECMKSPJ-IRXDYDNUSA-N 423.400 3.832 5 40 HHBB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc([N+](=O)[O-])cc1 4715631 ZKIYVGDIPRSSRK-UHFFFAOYSA-N 406.423 3.672 5 40 HHBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 4724048 RYRVRRXLUNKDRQ-KRWDZBQOSA-N 410.821 3.767 5 40 HHBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 12533347 FCMXGGAKHCOMNR-GASCZTMLSA-N 411.458 3.736 5 40 HHBB CN(CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21)C(c1ccccc1)c1ccccc1 12815124 IRFPLSAFSDFCPZ-UHFFFAOYSA-N 401.422 3.803 5 40 HHBB Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)cc1 58231017 SYMLDAZCHAFIPN-AWEZNQCLSA-N 414.491 3.651 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 5054588 OBTZGXKXSUAATG-NJYVYQBISA-N 415.405 3.646 5 40 HHBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 5517370 NZJWFJAFIDRKEU-INIZCTEOSA-N 404.785 3.654 5 40 HHBB Cc1cccc(NCc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)c1 6442565 KXDJRNZVTFMGCT-UHFFFAOYSA-N 412.475 3.673 5 40 HHBB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 8783319 LWLVUXBYPGXFKR-XMMPIXPASA-N 416.433 3.911 5 40 HHBB C[C@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 17986630 RQYNFXLABWOWGX-MJXNMMHHSA-N 408.410 3.740 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317229 TZNYMLHUARKDJM-UHFFFAOYSA-N 417.746 3.767 5 40 HHBB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220411788 DDAOIEDOOHSBDW-OAHLLOKOSA-N 419.503 3.820 5 40 HHBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 225170182 BSIBLAMPGCCACY-INIZCTEOSA-N 415.465 3.610 5 40 HHBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 604483828 NEHATHHAARMILZ-HNNXBMFYSA-N 415.515 3.508 5 40 HHBB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 781478 CIRKKMVEODCIGM-UHFFFAOYSA-N 411.487 3.836 5 40 HHBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cncc(Br)c3)nc12 10010609 OPVZVQIPQZRBNG-UHFFFAOYSA-N 409.221 3.623 5 40 HHBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11073743 RMRWOZRIZSPQNT-OAHLLOKOSA-N 418.453 3.510 5 40 HHBB COc1cc(CCC2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc(OC)c1 11128312 YXNMCEHDHDDMQI-UHFFFAOYSA-N 413.474 3.679 5 40 HHBB Cc1cc(C)cc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 101845607 TVGGSYRIBDYTRP-MUGJNUQGSA-N 408.410 3.671 5 40 HHBB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225089877 HSPPPWCHGKGTJP-UHFFFAOYSA-N 412.851 3.558 5 40 HHBB O=C(NCc1ccccc1)C(=Cc1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1 2632516 KBYZKTPVXWKKMD-UHFFFAOYSA-N 415.449 3.611 5 40 HHBB Cc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3n2)cc1 8958991 GIGFJSXKQGEZPL-UHFFFAOYSA-N 418.369 3.798 5 40 HHBB CNc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 13632924 XGBZNSXEUGVHJI-UHFFFAOYSA-N 409.273 3.906 5 40 HHBB CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 95466623 MSIDNFYSXNOKRV-KRWDZBQOSA-N 420.510 3.597 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 100918352 INEDVKVVWCQTTM-ACRUOGEOSA-N 415.405 3.646 5 40 HHBB CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(=O)(=O)CC 222399064 JEAXPGNTEDJRLC-UHFFFAOYSA-N 411.867 3.677 5 40 HHBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1 409242049 PXVZSIFIAXZOPN-LDADJPATSA-N 419.393 3.956 5 40 HHBB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 2660299 AIWVUVYONJKCRG-UHFFFAOYSA-N 403.441 3.884 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(F)c(F)cc1Cl 3445593 ODZPDFVJFQWAKI-QMMMGPOBSA-N 414.748 3.719 5 40 HHBB COc1ccc(-c2csc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC 6334090 CNBRYZYAEGYLIX-UHFFFAOYSA-N 415.427 3.996 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCc2ccccc2C1 6923428 LTMDJOVWENIQAP-UHFFFAOYSA-N 415.515 3.722 5 40 HHBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccccc1 17778713 LGWZTUBTNDZURN-QHAWAJNXSA-N 415.405 3.646 5 40 HHBB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc([N+](=O)[O-])c1 409126388 FQOSTEMPSXECDI-UHFFFAOYSA-N 403.851 3.775 5 40 HHBB COc1ccc(Br)cc1[C@@H]1OC(=O)c2c(OC)c(OC)cc([N+](=O)[O-])c21 1610404 HGMNEFVBMOKVEQ-HNNXBMFYSA-N 424.203 3.643 5 40 HHBB COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])c(OC)c1OC 12829153 ZPMHQXBPEACHOB-UHFFFAOYSA-N 407.448 3.598 5 40 HHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 12908654 HMLLIXMGUXGAFD-UHFFFAOYSA-N 404.260 3.922 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 48312689 SBWNDYUSLPAZPZ-SFHVURJKSA-N 414.487 3.706 5 40 HHBB O=[N+]([O-])c1ccc(N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c([N+](=O)[O-])c1 96011402 POLCVAMYKGJKKR-CQSZACIVSA-N 408.296 3.841 5 40 HHBB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)ccc21 223265609 FDQKQWYCNWOJIA-UHFFFAOYSA-N 423.450 3.599 5 40 HHBB C=CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)(c2ccccc2)CC1 1148263985 FOOQWEIOGUWSRF-GOSISDBHSA-N 421.497 3.827 5 40 HHBB CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-] 849411 ABZBMHSMSFORDM-UHFFFAOYSA-N 405.838 3.736 5 40 HHBB Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1 9227090 FAPZFJSCKBTKGD-UHFFFAOYSA-N 416.459 3.553 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc(NC(=S)Nc3ccccc3)s2)cc1 16490071 KKEMGLWNBUDNBS-UHFFFAOYSA-N 420.497 3.693 5 40 HHBB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 20142630 DUQXNHHJXBFRDT-UHFFFAOYSA-N 413.430 3.790 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cn2ccc(C(F)(F)F)n2)CC1 48289352 OBMQSTNTGWBTDO-UHFFFAOYSA-N 423.317 3.609 5 40 HHBB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222902533 MQWRZWYTEHXBFB-FQEVSTJZSA-N 411.502 3.512 5 40 HHBB COC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1c3c(sc12)CCCC3 5695456 AHGVVBYAZRMONB-UHFFFAOYSA-N 404.451 3.604 5 40 HHBB O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 20437110 CJWPMHUUVDKZEH-MRXNPFEDSA-N 413.739 3.858 5 40 HHBB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 20989188 GZCIXUVSSJGWTO-UHFFFAOYSA-N 419.393 3.506 5 40 HHBB CC[C@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 25063117 KHFIVESICYFNDK-INIZCTEOSA-N 421.544 3.955 5 40 HHBB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225425151 JTZUXVZYQKYQBB-FQEVSTJZSA-N 411.502 3.513 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(C(F)(F)F)c1 3385987 OIRPCXMPBGOICT-SNVBAGLBSA-N 412.320 3.806 5 40 HHBB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1C 12273866 YQKUOKXSDURVGN-UHFFFAOYSA-N 418.866 3.572 5 40 HHBB CN(Cc1cnn(C)c1)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 25044487 FDWMVRMRFXZUOF-UHFFFAOYSA-N 413.865 3.866 5 40 HHBB C/C=C/C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 39748148 XWITVAMPDPUMGG-DUXPYHPUSA-N 409.427 3.880 5 40 HHBB NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(-n2cnc3ccccc32)cc1Cl 95452444 UQMHPZSKAMCQBO-UHFFFAOYSA-N 422.832 3.693 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269401 VYFVSBVFDHDKDV-UHFFFAOYSA-N 413.817 3.719 5 40 HHBB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12527554 DYCGHVKHYOOUEI-UHFFFAOYSA-N 424.501 3.994 5 40 HHBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc23)CC1 13010065 JFKBEWDICVOOSZ-UHFFFAOYSA-N 423.856 4.000 5 40 HHBB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 13669211 KRQPPDUZSVMAMJ-CQSZACIVSA-N 408.476 3.740 5 40 HHBB O=C(OCc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15941002 ZCWPXCUKVIBHQU-UHFFFAOYSA-N 410.348 3.807 5 40 HHBB CC(C)NC(=O)c1ccc(NCCNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 25496071 NZFHKZZENXWENY-UHFFFAOYSA-N 411.384 3.671 5 40 HHBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1C(=O)C(=O)c2ccccc21 9450437 NQUWUIKXTSLNBH-UHFFFAOYSA-N 422.444 3.976 5 40 HHBB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 16682520 RGXUELLHXLRPNJ-MRXNPFEDSA-N 421.862 3.864 5 40 HHBB CN(C)C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCCC1 24583818 KVEBOQWTNDXLCS-UHFFFAOYSA-N 402.539 3.582 5 40 HHBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223026830 CFHSWVADRSDDDX-VQTJNVASSA-N 424.482 3.869 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 408701538 ZLTRUZRRRLXOGR-UHFFFAOYSA-N 417.487 3.576 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2cc(-c3cccs3)[nH]n2)CC1 8855371 WRTCBBFDXKOHBD-UHFFFAOYSA-N 418.500 3.615 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 9159129 PJLNHFOMLFKWEG-DNVCBOLYSA-N 424.384 3.565 5 40 HHBB CCCc1noc(-c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)n1 15833858 PYQMNDLVHOCRPM-UHFFFAOYSA-N 407.474 3.920 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 58951824 CPENILUIQRHAJF-UHFFFAOYSA-N 415.402 3.787 5 40 HHBB CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)OCC)c1C 1931261 ATSLTELADUWZAT-UHFFFAOYSA-N 420.443 3.879 5 40 HHBB O=C(Nc1nc2ccccc2s1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187976 MVVAOTSTNYNSLZ-UHFFFAOYSA-N 406.423 3.667 5 40 HHBB Cc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)c(C)c1 36619544 YGERRBUGOFFONA-OAHLLOKOSA-N 416.441 3.807 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)cc1I 225016655 CTGRVCQGNHZQMG-UHFFFAOYSA-N 412.183 3.769 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1349267 RQXXYCIAYQBRPD-UHFFFAOYSA-N 412.446 3.820 5 40 HHBB Cc1ccc(NC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 11482102 PZUAIRHSDBZVJA-UHFFFAOYSA-N 406.822 3.896 5 40 HHBB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])coc2c1 12542673 INWCABANYLLFEC-UHFFFAOYSA-N 418.789 3.727 5 40 HHBB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1 17088851 JDQGZJBZSOUULY-UHFFFAOYSA-N 411.439 3.892 5 40 HHBB O=C(O)c1cccc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c12 20496197 QMOKLLWDNFKOOU-UHFFFAOYSA-N 404.338 3.749 5 40 HHBB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 22029456 JFYMECBPUQKWEK-UHFFFAOYSA-N 419.393 3.643 5 40 HHBB C[C@](O)(C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1)C(F)(F)F 545956803 UARDMIMOGQTJCZ-AWEZNQCLSA-N 414.302 3.779 5 40 HHBB CCOC(=O)c1c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])sc2c1CC[C@@H](CC)C2 2731046 FTSPFQYHYBISCF-LLVKDONJSA-N 420.491 3.817 5 40 HHBB Cc1cc(=O)c(C(=O)N[C@@H](c2cccs2)C(C)C)nn1-c1ccccc1[N+](=O)[O-] 19312202 RIMPIDWOFFFDOY-GOSISDBHSA-N 412.471 3.638 5 40 HHBB O=C(Cn1ccs/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 409194779 MFBMMLMXVUBTJD-ZZEZOPTASA-N 401.831 3.735 5 40 HHBB C[C@@H]1CN([C@H](C)CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 105721664 GBSUAXYGOLFQOM-BRWVUGGUSA-N 412.490 3.566 5 40 HHBB C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)c1ccc(F)cc1 27339196 ORXUPRNOQFYGJZ-OAHLLOKOSA-N 423.448 3.875 5 40 HHBB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 12585696 NDMFBUDFQVFLRB-NSHDSACASA-N 402.838 3.596 5 40 HHBB Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cccc1[N+](=O)[O-] 3241439 VXVBFDSWWXTGDQ-UHFFFAOYSA-N 423.878 3.593 5 40 HHBB CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])cc1Cl 3441565 BYTBGQRDXBTBHF-UHFFFAOYSA-N 419.865 3.813 5 40 HHBB C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC(OCCCOc2ccccc2)C1 84667942 OZADILGKXLPZSB-INIZCTEOSA-N 424.457 3.876 5 40 HHBB O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409129619 UYWZARPEOZYKOC-AWNIVKPZSA-N 408.775 3.629 5 40 HHBB CCc1nc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)O)n[nH]1 408631838 MCCFBMYEXMZCRB-DHDCSXOGSA-N 416.415 3.762 5 40 HHBB Cc1c(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)nnn1-c1ccc([N+](=O)[O-])cc1 40112839 GWHQZIGWUNJLQF-CQSZACIVSA-N 409.446 3.762 5 40 HHBB COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 855154 FGBMFMFAPZBKKT-MRXNPFEDSA-N 414.892 3.693 5 40 HHBB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 4953294 SQWJNTSBVWFYLS-QGZVFWFLSA-N 416.890 3.988 5 40 HHBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 103933134 OCWDPHPMDHFBRZ-HWKANZROSA-N 422.737 3.725 5 40 HHBB Cc1cc(C(=O)CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)s1 5768363 YXIOSDDFZSQRAT-UHFFFAOYSA-N 405.428 3.846 5 40 HHBB COCCNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408975457 KOMBVXNDBDWDDV-UHFFFAOYSA-N 414.494 3.812 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 40154730 AVZSGVNSKZGRFL-LJQANCHMSA-N 419.865 3.659 5 40 HHBB CC(C)CNC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845305 HQYAHBYBXVAJBE-UHFFFAOYSA-N 407.352 3.709 5 40 HHBB Cc1nc2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)[nH]c2cc1Br 13125653 XCBASSFRDZJVQA-UHFFFAOYSA-N 407.249 3.912 5 40 HHBB aggregator Cc1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)N(CCc1c[nH]c3ccccc13)C2=O 13730254 SNVPRVUXFGSKKP-NRFANRHFSA-N 401.426 3.896 5 40 HHBB Cc1ccccc1N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)c1ccccc1 778001 XLFNAXUWSSCFIY-UHFFFAOYSA-N 415.405 3.804 5 40 HHBB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 5505021 UFMYVPMWWGHCCZ-KRWDZBQOSA-N 416.821 3.523 5 40 HHBB Nc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccc(F)cc2)s1 9128494 AIURZIHVDSLAMM-UHFFFAOYSA-N 420.451 3.642 5 40 HHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 12938175 HEEJGSYHQYIWPC-UHFFFAOYSA-N 412.258 3.784 5 40 HHBB O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32904560 DHSAJNKLIZINNA-UHFFFAOYSA-N 418.759 3.608 5 40 HHBB CCOC(=O)/C=C/c1ccc(NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1 32932268 UWOWGKDPJCRMQU-BJMVGYQFSA-N 408.414 3.550 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccccc1 102724813 LGWZTUBTNDZURN-HBMCJLEFSA-N 415.405 3.646 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6147007 NNBBJCQBTKPRCS-UHFFFAOYSA-N 415.402 3.787 5 40 HHBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccccc1N1CCOCC1 9090663 PBRIGMVCOBVHAR-VMPITWQZSA-N 419.384 3.685 5 40 HHBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 9190683 OOUZQXPVFKASNZ-QHCPKHFHSA-N 420.396 3.741 5 40 HHBB CCOc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-] 57315959 NSFLJVMRHWVCST-UHFFFAOYSA-N 424.442 3.720 5 40 HHBB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 3234196 IKXSKBWRRPEWTM-UHFFFAOYSA-N 417.176 3.601 5 40 HHBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2[N+](=O)[O-])C1 6248824 PWWRTHPLHIDHCG-KRWDZBQOSA-N 424.501 3.920 5 40 HHBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 16688298 RQNJIEHRWRWOPU-UHFFFAOYSA-N 424.295 3.966 5 40 HHBB O=c1[nH]c2ccccc2n1C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 58246556 NSUYXDXXXIONDM-UHFFFAOYSA-N 417.263 3.842 5 40 HHBB CC(=O)Oc1ccc(OC(C)=O)c2cc3c(OC(C)=O)ccc(OC(C)=O)c3cc12 1044204 OEXJITBZUPQYGG-UHFFFAOYSA-N 410.378 3.694 5 40 HHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1OC(F)F 3329332 IDWVHRWAHQBNPC-UHFFFAOYSA-N 400.721 3.645 5 40 HHBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1CCCc1ccccc1 409139381 ADEUEELJTMERQB-ZDLGFXPLSA-N 412.423 3.993 5 40 HHBB Cc1ccc2[nH]c(C)c(CCNC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)c2c1 1074406 AXWPODREJAKEPQ-UHFFFAOYSA-N 405.410 3.772 5 40 HHBB aggregator O=C1C[C@H](c2cc(Br)cc3c2OCOC3)Oc2ccc([N+](=O)[O-])cc21 1316115 BHZJYBGFBKEAED-MRXNPFEDSA-N 406.188 3.930 5 40 HHBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccccc3F)nc21 2432524 CRGURKMIXQKGQK-UHFFFAOYSA-N 401.397 3.696 5 40 HHBB O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc(Br)c2cccnc12 2731487 BMTFIGHIAYVUCT-UHFFFAOYSA-N 424.642 3.784 5 40 HHBB Cc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 9582027 ILQPKEPQRXRIGD-UHFFFAOYSA-N 410.430 3.769 5 40 HHBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223035790 DTAVDRXSOZONKF-VQTJNVASSA-N 424.482 3.869 5 40 HHBB Cc1csc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc(O)c12 408596530 QUZFDJDDRUKWOI-UHFFFAOYSA-N 410.864 3.998 5 40 HHBB CSc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 4893398 SJGKZHGMBLSOTB-UHFFFAOYSA-N 415.471 3.712 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H]1CCCc2ccccc21 5894350 RPCCHDLOWMUPTJ-GOSISDBHSA-N 401.488 3.869 5 40 HHBB O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 9667698 CBRCAOTTYBNFBF-UHFFFAOYSA-N 419.397 3.778 5 40 HHBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1ccsc1 39981850 TYIBRHYNRVLVPV-MRXNPFEDSA-N 409.895 3.723 5 40 HHBB O=c1c2cc3c(=O)n(Cc4ccccc4F)ccc3nc2ccn1Cc1ccccc1 40398771 OYOZLPJNCWQQTR-UHFFFAOYSA-N 411.436 3.947 5 40 HHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225097251 IOSAZNLXAWGWSQ-ROUUACIJSA-N 411.502 3.778 5 40 HHBB O=C(Nc1ccn(Cc2c(F)cccc2Cl)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2764165 SQYPDHFSTDQBPH-UHFFFAOYSA-N 419.756 3.793 5 40 HHBB O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O)Nc1cccc2ccccc12 5400617 BLBVGCZWLKIRFD-UHFFFAOYSA-N 400.394 3.610 5 40 HHBB C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NC[C@@H](O)c1ccccc1 6659864 BRWGPMGYXODUQH-QVKFZJNVSA-N 403.434 3.563 5 40 HHBB CN(C[C@H](O)C(F)(F)F)C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 95993485 NSWZUECDLACOKR-HEWZJLJBSA-N 400.378 3.718 5 40 HHBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccc([N+](=O)[O-])cc1 788120 JISXKGDIKMNZLE-SFHVURJKSA-N 418.405 3.527 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2Cl)cc1 2711608 WWADAZYLNCMXCR-UHFFFAOYSA-N 411.892 3.542 5 40 HHBB O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc2ccccc2c1 5053255 STSWHPPUMIMXRG-QFIPXVFZSA-N 401.378 3.575 5 40 HHBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1 20042315 GFVGEHXDWCFCIK-UHFFFAOYSA-N 405.657 3.953 5 40 HHBB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cccc([N+](=O)[O-])c1 20765376 CJIHQJSNVAAKOX-UHFFFAOYSA-N 407.249 3.964 5 40 HHBB CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225010225 FQUUAWAUHKCUJQ-UHFFFAOYSA-N 405.657 3.836 5 40 HHBB O=C1c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O 408532950 NILLNLOFIDQTQQ-UHFFFAOYSA-N 403.394 3.854 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 12997227 PZIBMTPKHBDKOM-UHFFFAOYSA-N 405.366 3.545 5 40 HHBB Cc1c(C(=O)Nc2ccc(I)cc2F)cccc1[N+](=O)[O-] 408623978 WARRWUKGSXXJTN-UHFFFAOYSA-N 400.147 3.899 5 40 HHBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 222998744 YXKBTVHILGHPQV-GOSISDBHSA-N 411.502 3.779 5 40 HHBB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223781694 SITPQSVJZSQLDT-HNNXBMFYSA-N 417.893 3.734 5 40 HHBB Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2c(=O)n1-c1ccc(F)cc1 22499441 WZENZKWXMXQKIC-UHFFFAOYSA-N 418.384 3.994 5 40 HHBB O=C(OC1COC(c2ccc([N+](=O)[O-])cc2)OC1)c1ccc(Br)cc1 2299284 QTCRNDXAELESBN-UHFFFAOYSA-N 408.204 3.628 5 40 HHBB CCOc1nn(-c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 2466118 TYRVKBXCBLAVJI-UHFFFAOYSA-N 409.324 3.664 5 40 HHBB O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4562347 RDLVKRKTHPIYEE-UHFFFAOYSA-N 412.465 3.687 5 40 HHBB O=c1[nH]c(CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc2sc3c(c12)CCCC3 6507239 KIRPESSVZAPIGG-UHFFFAOYSA-N 413.484 3.940 5 40 HHBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Cl)cc2)o1 7898931 RHMCTSVNMHYWPN-UHFFFAOYSA-N 413.817 3.554 5 40 HHBB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(NCCO)c([N+](=O)[O-])c1 9157825 NEWVPFGWYJSTNY-UHFFFAOYSA-N 407.426 3.830 5 40 HHBB CC(=O)c1ccc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c([N+](=O)[O-])c1 12536918 WQXHMYHDZBBXPW-UHFFFAOYSA-N 407.470 3.599 5 40 HHBB Cc1cc(C)n(-c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)n1 33499861 LCMGPJSGBQOJAF-UHFFFAOYSA-N 409.398 3.621 5 40 HHBB O=C(Oc1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 2776159 PHRBTRXAQWUWOT-UHFFFAOYSA-N 408.322 3.941 5 40 HHBB O=C(NCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 5002862 DEUVRYKCAAVWST-RCCKNPSSSA-N 401.422 3.682 5 40 HHBB CN(C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(F)c1 12794797 DKWBWXKSTYZRNG-HSZRJFAPSA-N 417.484 3.713 5 40 HHBB Cc1c(C(=O)NC(=S)Nc2ccc(Br)cc2F)cccc1[N+](=O)[O-] 17089085 KVCOWPGHISWLQU-UHFFFAOYSA-N 412.240 3.932 5 40 HHBB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 19929195 CYPURNRTPFCPOH-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB CCOC(=O)c1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc([N+](=O)[O-])c1 31600474 WICZRQINRBKIOH-UHFFFAOYSA-N 408.414 3.826 5 40 HHBB O=C1CCc2cc([N+](=O)[O-])c(N3CCN(Cc4c(F)cccc4Cl)CC3)cc2N1 40139303 XNLHXKDZJQNWGI-UHFFFAOYSA-N 418.856 3.594 5 40 HHBB Cc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1[N+](=O)[O-] 71980495 HULDBQWASSJBJL-FIWNRLKKSA-N 404.463 3.761 5 40 HHBB COCCNC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975536 MRSPEPRNUODQCF-UHFFFAOYSA-N 414.494 3.812 5 40 HHBB O=C(NCc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3137982 HDPKWVNIYYOIQP-UHFFFAOYSA-N 403.350 3.644 5 40 HHBB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 4585411 CKSZSDNGUWAFJV-UHFFFAOYSA-N 400.394 3.855 5 40 HHBB Cc1ccc(S(=O)(=O)NCCSc2nc3ccccc3s2)cc1[N+](=O)[O-] 4839031 ILITTYUGCQMDGO-UHFFFAOYSA-N 409.514 3.584 5 40 HHBB CCOc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)cc1[N+](=O)[O-] 57315834 HCUUOJOQVFEILG-UHFFFAOYSA-N 410.455 3.977 5 40 HHBB O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C[C@H]3CCCOC3)CC2)s1 79109613 OQPWCTJLXSMNCR-QGZVFWFLSA-N 401.532 3.868 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100252228 HTNBCMOEQNYZLQ-RBZFPXEDSA-N 413.503 3.994 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 408684145 OFSWQTKNSOKEPK-OALUTQOASA-N 405.410 3.693 5 40 HHBB C[C@@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 11379425 SBOIBRFAJHNCPK-CYBMUJFWSA-N 416.507 3.631 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 1327422 WMWICLYHSFFVTJ-UHFFFAOYSA-N 420.878 3.693 5 40 HHBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1OC 4977138 BUYNPJVHKFILEO-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 12578827 AMYLXSFOEGKMPL-SFHVURJKSA-N 408.414 3.625 5 40 HHBB Cc1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4681009 WJYCJTNFFSSCNF-GOSISDBHSA-N 400.475 3.713 5 40 HHBB CCOC(=O)c1cc(-c2ccccn2)nc2c1c(C)nn2-c1ccc([N+](=O)[O-])cc1 5689811 ALEZOYLHHWNPEJ-UHFFFAOYSA-N 403.398 3.876 5 40 HHBB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 409178232 FTVGBUMQTKOGNT-UHFFFAOYSA-N 420.805 3.645 5 40 HHBB Cc1ccc(C(=O)Nc2ccc(I)cc2F)cc1[N+](=O)[O-] 408620013 GMOQMXSFSUSHMU-UHFFFAOYSA-N 400.147 3.899 5 40 HHBB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225072078 GDLWPIYIYPXKDZ-UHFFFAOYSA-N 420.487 3.785 5 40 HHBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc(C(C)=O)c1C 3195970 XATLLVLFZIJVAH-UHFFFAOYSA-N 421.387 3.505 5 40 HHBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1ccc(Br)cc1 4182959 ITRWIJDBOPENIS-ZDUSSCGKSA-N 404.264 3.708 5 40 HHBB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 9425999 PIEBHANAOYVWAX-UHFFFAOYSA-N 410.817 3.826 5 40 HHBB Cc1cccc(-c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)cs2)c1 39978471 PSKDLZFJCVUMNB-UHFFFAOYSA-N 411.439 3.979 5 40 HHBB Cc1ccc(-c2csc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)o1 6832009 VDVQDEBCBMVLAX-UHFFFAOYSA-N 414.443 3.709 5 40 HHBB CCOC(=O)C1CCN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)CC1 9328450 CIJFSLDHDAFOFB-UHFFFAOYSA-N 421.453 3.678 5 40 HHBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl 9754446 RGAJKWFLRTUMES-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17092148 VICOAOQTHWQSKK-UHFFFAOYSA-N 420.441 3.990 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)ccc1Cl 104155437 ZIVZLVDTTQPAFL-UHFFFAOYSA-N 422.158 3.551 5 40 HHBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222866926 YMPXHIKMFPGRQJ-OAHLLOKOSA-N 415.465 3.608 5 40 HHBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1CC1CCCCC1 409132465 ZXJFOZIJCSHZHG-VGOFMYFVSA-N 407.404 3.825 5 40 HHBB Cc1cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 3305096 FVSCUEPWDAIYHL-UHFFFAOYSA-N 417.727 3.766 5 40 HHBB CCCC[C@@H](CC)CNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 4603637 GVMYTNRWXPBXAH-UZLBHIALSA-N 413.474 3.513 5 40 HHBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1cccc([N+](=O)[O-])c1 6474732 VLBDTEFRNPPVDG-UHFFFAOYSA-N 404.422 3.586 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 9328943 IGFABWUETBVGNT-HNAYVOBHSA-N 424.384 3.565 5 40 HHBB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 17088820 PXRBEBVICQJHBD-UHFFFAOYSA-N 411.395 3.680 5 40 HHBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 24869356 LGLGXCDFPZNMSW-CVEARBPZSA-N 413.499 3.953 5 40 HHBB O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 28206637 VJLONMQCTNDOFJ-UHFFFAOYSA-N 423.450 3.599 5 40 HHBB COc1ccccc1[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCCC1 32869509 RJQWAOUITJLSSY-NRFANRHFSA-N 424.501 3.745 5 40 HHBB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 103155514 UOTQFAQAAWCIGH-BDXSIMOUSA-N 414.801 3.707 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@@H]2C1 408677660 DWRYHWBAQMNRIT-GOEBONIOSA-N 423.400 3.832 5 40 HHBB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nn2)s1 4392256 NSZTVWRCNPULHR-UHFFFAOYSA-N 401.473 3.856 5 40 HHBB CCCNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 4895221 BEFHCFMJGQXVKJ-UHFFFAOYSA-N 405.838 3.543 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6389130 OXSVXQBEYOQKEC-UHFFFAOYSA-N 400.391 3.754 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 7306948 NCCUZEUKJDHHSJ-ZDUSSCGKSA-N 403.485 3.773 5 40 HHBB COc1c([N+](=O)[O-])cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] 8560910 HAMHXKIBUMCAEI-UHFFFAOYSA-N 409.782 3.961 5 40 HHBB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)O[C@@H](C)C2 12771255 DVLOZLYPZMTWQZ-RYUDHWBXSA-N 403.410 3.895 5 40 HHBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 21848357 DRPQVYXEYKCUQN-AWEZNQCLSA-N 422.407 3.763 5 40 HHBB COc1cc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c([N+](=O)[O-])cc1OC(F)F 24886474 XCYUAWSJFXICQP-UHFFFAOYSA-N 412.345 3.709 5 40 HHBB CCOC(=O)N1CCN(C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)CC1 33618162 BROWZLYIMUBNKJ-UHFFFAOYSA-N 420.494 3.912 5 40 HHBB CC[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 72277138 IBPZEKDCRAUTCV-ZWKOTPCHSA-N 403.504 3.666 5 40 HHBB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC 408584996 ABCFZQQHFHMLEU-UHFFFAOYSA-N 423.447 3.671 5 40 HHBB CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccc(C)c([N+](=O)[O-])c1 2796883 KDLLBDKKECWSDQ-UHFFFAOYSA-N 402.447 3.605 5 40 HHBB C[C@@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cl)cc1Cl 3447399 LRVNRXQHKKQQQW-BRAIEQGRSA-N 410.213 3.880 5 40 HHBB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 5121674 HVAISIYRGAEQEX-UHFFFAOYSA-N 414.487 3.730 5 40 HHBB Cc1cc2oc(=O)cc(Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)c2cc1C(C)C 6203346 ZADUOFZKZKQYCM-UHFFFAOYSA-N 405.410 3.891 5 40 HHBB COc1cc(C(=O)N(C)Cc2nc3ccccc3s2)c([N+](=O)[O-])c(OC)c1OC 10287855 XHSQXPFGKCDYDH-UHFFFAOYSA-N 417.443 3.503 5 40 HHBB CNC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 40133724 NPZUMHXCOIHOPV-UHFFFAOYSA-N 421.409 3.764 5 40 HHBB Cc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C 59417123 XHDUZJNFQNIVJU-UHFFFAOYSA-N 412.364 3.804 5 40 HHBB Cc1ccc2[nH]c3nc(SCC(=O)Nc4cc([N+](=O)[O-])ccc4C)nnc3c2c1 4976311 CKYUOHKNMWSGME-UHFFFAOYSA-N 408.443 3.762 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12977719 OAMWUSIFZOUMAE-QGZVFWFLSA-N 418.471 3.590 5 40 HHBB Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C)c1Cl 20410869 LENZHFLYSSNKHI-UHFFFAOYSA-N 419.865 3.719 5 40 HHBB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)c1C 36759535 BUELRTORWGWZSP-UHFFFAOYSA-N 408.414 3.826 5 40 HHBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 4412876 IGHACNHFXFQMMR-UHFFFAOYSA-N 420.853 3.542 5 40 HHBB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2csc([N+](=O)[O-])c2)c1C 40140897 CCWHNPHLKIUZFO-INIZCTEOSA-N 417.487 3.533 5 40 HHBB CCCOc1ccccc1CCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 219827151 VMKJGGJKEQWGAY-UHFFFAOYSA-N 402.447 3.520 5 40 HHBB O=C([C@H]1CCCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 32760133 MFXIGBXLRFXSDC-FQEVSTJZSA-N 416.481 3.912 5 40 HHBB C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C1 5487288 LDBQBHPUVKAVTG-IRXDYDNUSA-N 424.549 3.908 5 40 HHBB CC(=O)c1ccc(N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 15442807 SVJNEERNNSECLB-HNNXBMFYSA-N 421.457 3.731 5 40 HHBB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)c1C 40081875 GZTGJZFWJKDJTM-UHFFFAOYSA-N 408.414 3.826 5 40 HHBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1NC(=O)CC(C)C 1324354 ZMZLDRNSOLASNE-UHFFFAOYSA-N 401.419 3.849 5 40 HHBB COc1ccccc1-c1nnc(SCc2nnc(-c3cccc([N+](=O)[O-])c3)o2)n1C 3495641 XAKBCJZRCDCMAI-UHFFFAOYSA-N 424.442 3.741 5 40 HHBB O=C(CN1C(=O)c2ccccc2O[C@H](c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 8914558 MXUAKVIWFOOOEF-OAQYLSRUSA-N 416.389 3.580 5 40 HHBB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9664026 LBMVLVQELZAGKS-UHFFFAOYSA-N 415.450 3.667 5 40 HHBB Cc1nc(C2(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)CCCC2)no1 32901901 JMCUWGPZOSRETN-UHFFFAOYSA-N 413.478 3.722 5 40 HHBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nn12 57316932 IVAVKIGRCIVMOX-UHFFFAOYSA-N 424.442 3.584 5 40 HHBB O=C1[C@H]2[C@@H](c3cccs3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 102860649 DKUPHKMYSNNQSX-IPMKNSEASA-N 421.434 3.707 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C3=O 9209876 PIAHEMXTGXBBPT-UZLBHIALSA-N 420.421 3.734 5 40 HHBB COC(=O)c1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc1 9216072 IRSSHVMCUKEWGS-UHFFFAOYSA-N 403.390 3.750 5 40 HHBB O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 107974971 NQEBKYUJUPUPAE-UHFFFAOYSA-N 412.383 3.890 5 40 HHBB CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531652 JETHINWILVWZGR-SFHVURJKSA-N 419.503 3.703 5 40 HHBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(OC)c1 2428097 HFZQBGOSPFPEGZ-UHFFFAOYSA-N 415.453 3.711 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1C(C)C 4948182 RHKMAWHDZGTDRJ-UHFFFAOYSA-N 412.471 3.925 5 40 HHBB O=C1C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccc2ccccc2c1 5054942 YFVHFECFEFYPAO-QFIPXVFZSA-N 401.378 3.575 5 40 HHBB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccccc1[N+](=O)[O-] 5061873 PXTLNBJCYDBZQS-UHFFFAOYSA-N 405.410 3.817 5 40 HHBB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 17088253 BRZKUDQJZWZYQQ-UHFFFAOYSA-N 409.471 3.652 5 40 HHBB CCc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 4905859 MBPSVEHZHJDXQQ-UHFFFAOYSA-N 401.422 3.671 5 40 HHBB Cc1c(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cccc1[N+](=O)[O-] 7977437 YVAQSIKMDYXNPB-UHFFFAOYSA-N 407.213 3.559 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1C 10630194 WKZPTNDWBLJWNU-KRWDZBQOSA-N 400.460 3.614 5 40 HHBB Cc1c(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cccc1[N+](=O)[O-] 40127374 PDVWRCJYGWXINZ-UHFFFAOYSA-N 407.473 3.587 5 40 HHBB COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)CN2CCCCC2)cc1 58268832 DQHKRLDUZOFVNP-JOCHJYFZSA-N 422.485 3.767 5 40 HHBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCN(c2nccs2)CC1 11187422 OLEMWTROFCJUDG-UHFFFAOYSA-N 418.862 3.927 5 40 HHBB CCOc1ccc(OCC)c(N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 12523312 RLUGTUVLTPCDJV-CYBMUJFWSA-N 403.435 3.840 5 40 HHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 13770224 KLSOIPVTUNNHBD-HKBOAZHASA-N 415.405 3.646 5 40 HHBB COc1cc(OC)c(C2=CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)c(OC)c1 32860092 ULSNDIYKFDCZIJ-UHFFFAOYSA-N 416.459 3.624 5 40 HHBB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 40155903 FEOFDCGFBXDTTO-OAHLLOKOSA-N 413.352 3.517 5 40 HHBB O=C(c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCCC1 44950132 NCCHOUAANOKHCS-UHFFFAOYSA-N 417.487 3.553 5 40 HHBB COc1ccc(CCC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280233 KKEVLWFWLUUOGZ-HXUWFJFHSA-N 412.506 3.698 5 40 HHBB biogenic O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])o1 409325424 YOMVUJNUHMMYIK-DJWKRKHSSA-N 404.722 3.788 5 40 HHBB CCCCNc1ccccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 4253200 HHVQMGFNJMYRRT-UHFFFAOYSA-N 401.419 3.611 5 40 HHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 409010005 CWJVOCZPUANZLZ-SFQUDFHCSA-N 405.366 3.961 5 40 HHBB CCn1c(=O)sc2cc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)ccc21 225076270 XBVJOXOJZGBBND-UHFFFAOYSA-N 403.485 3.863 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1[N+](=O)[O-] 17094121 SETRXBRPJJODQA-UHFFFAOYSA-N 424.822 3.600 5 40 HHBB O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 40153036 HZADVHUTHXSAMI-FQEVSTJZSA-N 416.437 3.819 5 40 HHBB Cc1cc(C)cc(OC(=O)C[S@](=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 2848228 RMFWHSRWHOUIGJ-HHHXNRCGSA-N 401.362 3.944 5 40 HHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3587468 MEUMASDLQQZFQE-UHFFFAOYSA-N 402.362 3.752 5 40 HHBB Cc1[nH]c2c(C)cccc2c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 4580907 XXDDGURLPFZQND-UHFFFAOYSA-N 407.879 3.867 5 40 HHBB O=[N+]([O-])c1cccc(CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 4903270 HMTXOHPQOFKVSL-UHFFFAOYSA-N 413.411 3.899 5 40 HHBB CCn1c(CC(=O)Nc2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1 9699046 XVEWDKFDWOKIRN-UHFFFAOYSA-N 415.450 3.819 5 40 HHBB CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1 12140460 WRBHDTBRRDSKFX-UHFFFAOYSA-N 423.454 3.741 5 40 HHBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccccc2Cl)c1 19932043 GOEGGTMPTVFSNH-UHFFFAOYSA-N 400.909 3.601 5 40 HHBB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)ccc1[N+](=O)[O-] 20611558 OHANNICFKYRIFF-UHFFFAOYSA-N 420.263 3.755 5 40 HHBB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 219826778 ASURGOSSXDNSPZ-SFHVURJKSA-N 402.447 3.894 5 40 HHBB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 3342001 UGJOZKCQDBDXKW-UHFFFAOYSA-N 401.806 3.844 5 40 HHBB CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4769365 BAJMDTYUGGYGHD-UHFFFAOYSA-N 400.435 3.737 5 40 HHBB O=Cc1ccc(Sc2nc(-c3cc(Br)ccc3O)n[nH]2)c([N+](=O)[O-])c1 9237736 UNQSECYZSZUFLF-UHFFFAOYSA-N 421.232 3.812 5 40 HHBB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 12619808 GHKHJKDHBJEQMV-INIZCTEOSA-N 420.347 3.880 5 40 HHBB O=[N+]([O-])c1cccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2N2CCOCC2)c1 22762240 GPLXHYKGWDZDRJ-VZCXRCSSSA-N 416.890 3.979 5 40 HHBB Cc1c(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)nnn1-c1ccc([N+](=O)[O-])cc1 40112837 GWHQZIGWUNJLQF-AWEZNQCLSA-N 409.446 3.762 5 40 HHBB CNS(=O)(=O)c1ccc(N[C@@H](c2cccc(OC)c2)C(C)(C)C)c([N+](=O)[O-])c1 79023794 PFQUPHOAXZLEHO-SFHVURJKSA-N 407.492 3.711 5 40 HHBB O=C(Nc1ccc(Cl)cc1F)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102833102 CIHIEARCUKYCOE-TYGXQLQZSA-N 419.844 3.913 5 40 HHBB CC(C)c1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220399715 XPGHKUWAURLQFP-CQSZACIVSA-N 405.476 3.511 5 40 HHBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 4704197 SFGZZGFUQFHTIL-LJQANCHMSA-N 404.430 3.731 5 40 HHBB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 5561726 VQCIIVYFQBFWLJ-UHFFFAOYSA-N 405.439 3.758 5 40 HHBB COc1ccc(CCn2c(C)cc(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2C)cc1 21741817 GLIRPCXFJGXLSM-UHFFFAOYSA-N 410.474 3.961 5 40 HHBB CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257225 MOZVQHCKZYPWNT-UHFFFAOYSA-N 410.430 3.689 5 40 HHBB CC(C)NC(=O)c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 28740620 YWKCYIBRVHTOEE-UHFFFAOYSA-N 422.938 3.770 5 40 HHBB COc1cc(OC)c([N+](=O)[O-])cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222565863 BBEXCTUEDSFGBB-PDSMFRHLSA-N 400.460 3.596 5 40 HHBB Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)c1 1066902 MRVCGXPZQPYBEN-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2249876 BAETXIRINDAIKH-UHFFFAOYSA-N 413.437 3.668 5 40 HHBB CCOc1cccc2sc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12 5181820 MQLHXDDCQVCVOO-UHFFFAOYSA-N 412.471 3.566 5 40 HHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 5215235 KLSOIPVTUNNHBD-NJYVYQBISA-N 415.405 3.646 5 40 HHBB COc1cccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OC 19869004 FFMCRDMZHILBGE-YBEGLDIGSA-N 400.412 3.849 5 40 HHBB COc1c2c(c(O)c3c(=O)c4c(OC)c(O)ccc4oc13)[C@H]1CCC[C@@](C)(O2)O1 31166234 MTCOVRSZCNNQLP-WSVYEEACSA-N 400.383 3.725 5 40 HHBB biogenic,in-vitro Cc1ccc(-n2ncc([C@H](C)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2C)cc1 31563016 PVAGEJLTDIRXGC-HNNXBMFYSA-N 407.474 3.954 5 40 HHBB O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 32957769 SVLRZQGDUHJEHZ-UHFFFAOYSA-N 409.785 3.636 5 40 HHBB COc1ccc(/C=C\c2nnc3n(-c4ccccc4)c(=O)c4ccccc4n3c2=O)cc1 85384958 CRJPIXVYHMOLFJ-SSZFMOIBSA-N 422.444 3.573 5 40 HHBB COc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 219821190 FMKWYWNIGBTIHL-UHFFFAOYSA-N 410.879 3.685 5 40 HHBB CCc1ccccc1NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531845 LNFIEGDHVJEGRL-SFHVURJKSA-N 419.503 3.649 5 40 HHBB Cc1c(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(=O)n(-c2ccccc2)n1C 1753071 SQSOPXZLBLXAGB-UHFFFAOYSA-N 401.810 3.690 5 40 HHBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc2c(c1)OCCO2 5345411 GCIIDWCWHHFXGK-UHFFFAOYSA-N 403.390 3.735 5 40 HHBB CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2C1=O 57316223 FKVDKYMVNBZODV-DHZHZOJOSA-N 417.377 3.733 5 40 HHBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N(c1ccccc1)c1ccccc1 869953 OOTVMAGAVVRLOX-UHFFFAOYSA-N 400.398 3.613 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1[N+](=O)[O-] 4130180 LBWUIFMZTMLOAC-XCLFUZPHSA-N 413.503 3.994 5 40 HHBB CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] 12984670 IOKBZCKWBXQMCY-GOSISDBHSA-N 417.531 3.757 5 40 HHBB C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 32876069 APZLVNCGMKPBLZ-ZDUSSCGKSA-N 409.402 3.558 5 40 HHBB COc1ccc(-c2nn(CN3c4ccc([N+](=O)[O-])cc4C[C@@H]3C)c(=S)n2C)cc1 32923166 RBOHICJKQQFFGD-ZDUSSCGKSA-N 411.487 3.944 5 40 HHBB CN(C[C@@H](O)C(F)(F)F)C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 95993486 NSWZUECDLACOKR-LOWQCSRCSA-N 400.378 3.718 5 40 HHBB O=C1OC(c2ccccc2I)=N/C1=C/c1cccc([N+](=O)[O-])c1 1894278 MJMYSZATJSUNEV-NTEUORMPSA-N 420.162 3.544 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1 9089842 HTJDVVACKWRWNH-LJQANCHMSA-N 417.352 3.985 5 40 HHBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@@H](C)C3)c(O)n2n1 15391742 HXNJHMNIUSWTLS-WBMJQRKESA-N 401.492 3.788 5 40 HHBB Cc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 22906604 BDNWIBOFNUJWOU-HSZRJFAPSA-N 416.481 3.828 5 40 HHBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N2CCCCC2)c1 219982936 MOUYMTLWSKCSOI-UHFFFAOYSA-N 423.878 3.675 5 40 HHBB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc([N+](=O)[O-])c1O 260759228 FIBWINWCTQEXCC-ZTFRIQLXSA-N 400.460 3.683 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 535833165 DYLIXOLUXCXSGL-WZONZLPQSA-N 416.452 3.628 5 40 HHBB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc([N+](=O)[O-])cc1Cl 5046956 GDDGOEYUYCXCEQ-UHFFFAOYSA-N 416.825 3.761 5 40 HHBB CCc1sc(-c2nnc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)o2)cc1C 12606536 FKFZJNWDWWSSHE-UHFFFAOYSA-N 413.503 3.899 5 40 HHBB Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(C(=O)O)c1O 20142648 WTARPDPOMUWSLR-UHFFFAOYSA-N 413.430 3.796 5 40 HHBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 32124595 VKCFEMKBPMDDHA-BOPFTXTBSA-N 416.480 3.916 5 40 HHBB Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220030420 ZQDOMKMLJDKAIJ-UHFFFAOYSA-N 419.503 3.740 5 40 HHBB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409237034 VAQGSYOBCHRRGH-GZTJUZNOSA-N 418.427 3.936 5 40 HHBB CNc1cc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1[N+](=O)[O-] 4675896 UUGDEZNMDRCMAS-UHFFFAOYSA-N 412.534 3.892 5 40 HHBB O=[N+]([O-])c1ccc(Nc2nc(NCc3ccco3)nc(NCc3ccco3)n2)cc1 12374913 PCAZUOJMCACXJB-UHFFFAOYSA-N 407.390 3.934 5 40 HHBB Cc1ccc(C(C)C)c(OCC(=O)NCCc2nc3cc([N+](=O)[O-])ccc3n2C)c1 20412889 ALMUHAYSZRACPM-UHFFFAOYSA-N 410.474 3.651 5 40 HHBB O=[N+]([O-])c1cnc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)nc1NC1CC1 48303268 QVLWUCIOYGTTLQ-UHFFFAOYSA-N 412.427 3.584 5 40 HHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)cc1 2448806 ACWUFMZCZUWRDJ-UHFFFAOYSA-N 417.444 3.849 5 40 HHBB CCN(CC)C(=O)COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl 32817099 FCDYFUPNDQMILZ-UHFFFAOYSA-N 405.838 3.748 5 40 HHBB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 9056928 LCVIXEGDQSAXPU-UHFFFAOYSA-N 420.834 3.941 5 40 HHBB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])cc1 10499861 UDXXBYFZARBAEC-UHFFFAOYSA-N 410.455 3.807 5 40 HHBB CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1cccc(Oc2ccccc2)c1 4105445 PSEUSXNUANPSCY-SFHVURJKSA-N 401.415 3.582 5 40 HHBB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223096859 WHHLZLOCLDWAHC-SFHVURJKSA-N 411.502 3.779 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(C(F)(F)F)c1 3385984 OIRPCXMPBGOICT-JTQLQIEISA-N 412.320 3.806 5 40 HHBB COc1ccc([N+](=O)[O-])cc1Nc1cnn(CCOc2ccccc2)c(=O)c1Cl 8395101 GGSLIYNKHABMTB-UHFFFAOYSA-N 416.821 3.636 5 40 HHBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)c1c[nH]c2ccccc12 9121160 NBTGYBHFZRTDFY-UHFFFAOYSA-N 421.331 3.933 5 40 HHBB COc1cc(OCC(=O)NCCSCc2cccc(Cl)c2)ccc1[N+](=O)[O-] 219821095 HXRJNULDDFKXNO-UHFFFAOYSA-N 410.879 3.685 5 40 HHBB COC(=O)c1ccsc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 40146318 AOUZRTROFMDLNJ-UHFFFAOYSA-N 403.460 3.932 5 40 HHBB CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1 2206502 BTYSOCGWUDGFJC-UHFFFAOYSA-N 406.438 3.521 5 40 HHBB COc1ccc(CCn2c(C(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2225807 QQEICMBXMAXSSI-UHFFFAOYSA-N 403.482 3.623 5 40 HHBB COc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 7610245 VKDBITPXKRCCKW-UHFFFAOYSA-N 401.400 3.540 5 40 HHBB Cc1ccc(C(=O)C2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)CC2)c(C)c1 24456996 FYUVJZFIAWYDRC-UHFFFAOYSA-N 406.442 3.823 5 40 HHBB CCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3[nH]2)c([N+](=O)[O-])c1 6187306 VLSKDMPRUOZIDW-UHFFFAOYSA-N 416.459 3.999 5 40 HHBB Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc3C2)cc1 4777074 PJCIELZZZWLYNL-INIZCTEOSA-N 402.410 3.858 5 40 HHBB COc1cc(OC)c([N+](=O)[O-])cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222565991 BBEXCTUEDSFGBB-NBHSMZAVSA-N 400.460 3.596 5 40 HHBB O=C(Nc1nc2c(Cl)cccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17091676 LHJKRTXCIKXBGG-UHFFFAOYSA-N 418.862 3.947 5 40 HHBB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 7057893 UJQZYVUZGKDJAF-UHFFFAOYSA-N 417.487 3.800 5 40 HHBB CCOC(=O)c1ccc(N2CCCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)nc1 58023382 LAGATQNKQSXQCN-UHFFFAOYSA-N 404.854 3.537 5 40 HHBB O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCCC1 3178029 NMFVUULYDRDXBO-RTWAWAEBSA-N 418.941 3.668 5 40 HHBB O=C1CC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)Oc2ccccc21 4505560 VGBXQILEVIXYDV-UHFFFAOYSA-N 400.818 3.888 5 40 HHBB CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccc(NC(C)=O)cc3)n2)cc1 6073801 HNJBGZILIPINTO-UHFFFAOYSA-N 421.417 3.789 5 40 HHBB Cc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 8328343 PRRYODJUVRVQAD-HSZRJFAPSA-N 417.421 3.706 5 40 HHBB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(C)cccc3[N+](=O)[O-])o2)cc1 10045132 QCFJUSJIJULQEY-UHFFFAOYSA-N 423.425 3.981 5 40 HHBB O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 31662579 WDZDNSJGOIHNGT-UHFFFAOYSA-N 423.256 3.892 5 40 HHBB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 8776460 SWASDEDGCVBLPR-GOSISDBHSA-N 400.504 3.798 5 40 HHBB C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N12 15931882 PQXSWFOGRMAMAY-BHASVWGSSA-N 419.222 3.774 5 40 HHBB Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccccc1 32930134 VASDAZDKKIMLKM-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB COc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)cc1[N+](=O)[O-] 24493634 ZBBUKUGLBGNHBD-UHFFFAOYSA-N 421.494 3.951 5 40 HHBB O=C(c1ccccc1)c1ccc(NC[C@H]([C@@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 58162676 VDHBOXBLCGIUKP-DENIHFKCSA-N 409.486 3.739 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1 100711677 FKTXAJQBICUBOF-NJYVYQBISA-N 415.405 3.646 5 40 HHBB CN1CCC(Oc2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 216925987 QGSXMNWPUQLKGD-UHFFFAOYSA-N 403.866 3.651 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2)o1 6281210 QPLVFHYFPXZYEE-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 8205529 MGDUPVAIBPTCPU-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)s1 16046104 MJEWJRSQXZNSID-QMMMGPOBSA-N 400.507 3.686 5 40 HHBB C[C@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12918129 PVVXUFIXPDEQMU-FBOQAHMBSA-N 415.789 3.973 5 40 HHBB CCN1CCN(c2cc(NC(=O)c3ccccc3OC)c(Cl)cc2[N+](=O)[O-])CC1 72229540 KSQCNWRTOSKMKN-UHFFFAOYSA-N 418.881 3.651 5 40 HHBB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 8767295 AXIIBQKSUSBZNW-INIZCTEOSA-N 420.853 3.819 5 40 HHBB Cc1ccc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])cn1 40119621 GSNUPIAPJCPVBU-UHFFFAOYSA-N 418.519 3.767 5 40 HHBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 4966583 URAMYJDYYHYJJG-UHFFFAOYSA-N 403.485 3.773 5 40 HHBB COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1OC 5372520 ZMJFTKVNEHQYNK-UHFFFAOYSA-N 404.766 3.568 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 9231901 UQXDRJRVHNGCHG-GFCCVEGCSA-N 418.247 3.657 5 40 HHBB CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] 16693033 RTFWVZNWHMUORE-UHFFFAOYSA-N 400.416 3.814 5 40 HHBB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 19683153 YKMDBUSNGMKVMZ-UHFFFAOYSA-N 407.426 3.939 5 40 HHBB CC(=O)c1ccc(N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 79076527 UFPQHDQOGNEULO-LJQANCHMSA-N 409.442 3.730 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 408638192 BTEPIUIONRRQJG-NSHDSACASA-N 423.347 3.614 5 40 HHBB CC(C)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 5407855 BRKRYPSTQITKPZ-OAQYLSRUSA-N 400.431 3.648 5 40 HHBB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 5544360 IGTVEUKVEWXCRB-LQDNNDEMSA-N 410.429 3.780 5 40 HHBB Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 9569524 DNLXMXVPLUKHBF-UHFFFAOYSA-N 421.475 3.687 5 40 HHBB Cc1nnc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])n1C1CC1 14135885 NKIZEKLJMHLEPA-UHFFFAOYSA-N 424.438 3.910 5 40 HHBB Cc1cccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 16349790 ZUNSRUYCJXKPJV-UHFFFAOYSA-N 423.391 3.650 5 40 HHBB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 17090204 WAXUNWIBXNEVDW-UHFFFAOYSA-N 415.258 3.542 5 40 HHBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 23157603 LYWWNMYPMMYEHO-MKBNYLNASA-N 401.492 3.780 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1 32441740 GXICYCFGSXGRNR-UHFFFAOYSA-N 412.467 3.790 5 40 HHBB O=[N+]([O-])c1cnc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c(Cl)c1 72312226 PAZNAAMKIKBRET-UHFFFAOYSA-N 421.288 3.657 5 40 HHBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220571481 MLVHKGOXXWSQTD-GOSISDBHSA-N 419.503 3.703 5 40 HHBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223722206 HYZVRMJJGJITLL-KRWDZBQOSA-N 409.486 3.613 5 40 HHBB CCOC(=O)c1c(NC(=O)c2nn(CC)cc2[N+](=O)[O-])sc2c1CC[C@H](CC)C2 2731045 FTSPFQYHYBISCF-NSHDSACASA-N 420.491 3.817 5 40 HHBB O=c1n(Cc2ccccc2)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1Cc1ccccc1 4016280 RYEZFSGKROWCOL-UHFFFAOYSA-N 404.382 3.716 5 40 HHBB C[C@H]1CCCCN1c1cc(N2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])cc1F 4624309 XORFJDMKAFTESZ-HNNXBMFYSA-N 406.502 3.807 5 40 HHBB Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccccc3)o2)c([N+](=O)[O-])c1 59212943 RQHZLHIXOBMFIB-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nc3ccccc3o2)C(=O)O)c1OC 211512217 VKNYZLNAVLRYNC-OVCLIPMQSA-N 402.384 3.971 5 40 HHBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c([N+](=O)[O-])c3)N21 222653432 UTTWTUGJHRNNFU-CSMYWGQOSA-N 400.460 3.683 5 40 HHBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(O)c([N+](=O)[O-])c3)N21 260784089 UTTWTUGJHRNNFU-JLZZUVOBSA-N 400.460 3.683 5 40 HHBB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 4936091 SAMPQCYMRFZYDM-WEVVVXLNSA-N 406.341 3.700 5 40 HHBB Cc1cccc(Cn2cccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)c2=O)c1 9546748 NREOSWXQQGVBAZ-UHFFFAOYSA-N 420.450 3.975 5 40 HHBB COc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Br 16250135 JNYRSDVIKTUMAA-UHFFFAOYSA-N 424.276 3.801 5 40 HHBB CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 22696487 ATUXYRQPRZQMKJ-OAHLLOKOSA-N 413.927 3.549 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 408689415 YYHXWNMYBYUAHQ-RBUKOAKNSA-N 405.410 3.693 5 40 HHBB COC(=O)c1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 5559663 UXZVPYZIYQWULY-FSPWUOQZSA-N 421.446 3.542 5 40 HHBB C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 5896434 NGOFQBPYZWCESI-SECBINFHSA-N 404.835 3.604 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 9159130 PJLNHFOMLFKWEG-BEFAXECRSA-N 424.384 3.565 5 40 HHBB CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 9312882 VSFJRMLOGUIBII-MANSERQUSA-N 414.259 3.540 5 40 HHBB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 25836124 PGRYVUOQGJFYIO-HNNXBMFYSA-N 406.442 3.800 5 40 HHBB Cc1ccc(C)c(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 6922594 CZYFRFJXXXEKSW-TZRIAGMCSA-N 408.410 3.671 5 40 HHBB Cc1ccc(C(C)C)cc1OCC(=O)NCCc1nc2cc([N+](=O)[O-])ccc2n1C 8995342 ZQQFTOFYODYDDT-UHFFFAOYSA-N 410.474 3.651 5 40 HHBB CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1C(F)(F)F 13059543 CLSKTILJTQJNKF-UHFFFAOYSA-N 424.379 3.513 5 40 HHBB CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 39761735 SLMZRWMOZBDAOA-UHFFFAOYSA-N 409.402 3.882 5 40 HHBB CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1)c1ccccc1 72056874 PXTQMZLJEFLRNU-HXUWFJFHSA-N 409.486 3.818 5 40 HHBB CN1CCN(c2cc(NC(=O)c3ccccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 72229231 JPNAMPCAMFVHKQ-UHFFFAOYSA-N 409.273 3.906 5 40 HHBB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cccc([N+](=O)[O-])c1 107991332 JRKWAZRDABXDSN-UHFFFAOYSA-N 404.879 3.975 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(OC)c1 214898318 MEQJYGIXOAOJCQ-RQZCQDPDSA-N 400.412 3.849 5 40 HHBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 260777996 QVZQQMKIKMUKGH-DPMMWBKBSA-N 414.487 3.986 5 40 HHBB O=C(CSc1nnc(-c2ccccc2O)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 4893529 MLKUEKLMXYQCAP-UHFFFAOYSA-N 406.807 3.735 5 40 HHBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2731569 SFCMBOSRFXGECY-ZDUSSCGKSA-N 424.490 3.743 5 40 HHBB O=c1oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 12112437 LQKCWCSJUZIOMH-UHFFFAOYSA-N 421.239 3.870 5 40 HHBB COc1cc2c(cc1OC)CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 31034734 AETWHJMOJYHULR-ZDUSSCGKSA-N 402.472 3.678 5 40 HHBB COc1ccc(C)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc12 10166342 ICSWOYXBZCILAC-UHFFFAOYSA-N 418.500 3.545 5 40 HHBB CC(C)c1c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 40070018 RQKMTVCNPSEGOX-LJQANCHMSA-N 412.421 3.506 5 40 HHBB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 2703623 HIVIQHPMTSOPKT-MRXNPFEDSA-N 420.406 3.611 5 40 HHBB O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)Nc1ccc(Oc2ccccc2)cc1 24832451 ASDFCKKZRWTRHK-UHFFFAOYSA-N 405.366 3.934 5 40 HHBB Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Br)cc1 12908642 QYNSJDODSKJQJO-UHFFFAOYSA-N 422.264 3.624 5 40 HHBB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 16175757 GHEWFJCHCYJVSX-GOSISDBHSA-N 411.483 3.613 5 40 HHBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)Nc1c2c(nc3c1CCC3)CCCC2 5319207 GWRSLDCQYLFZCD-UHFFFAOYSA-N 410.474 3.684 5 40 HHBB O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1cc2ccccc2oc1=O 1066827 CJHJEXWSDDUGMO-UHFFFAOYSA-N 408.288 3.895 5 40 HHBB COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 2212398 VTLXCEQFDFQYBO-UHFFFAOYSA-N 411.370 3.710 5 40 HHBB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7104709 OFMUVVGETJUPLA-UHFFFAOYSA-N 417.469 3.620 5 40 HHBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 9373088 YDEQIEFKQMVCFR-INIZCTEOSA-N 420.347 3.880 5 40 HHBB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1 9443588 ZOALRTBAYYQVCN-UHFFFAOYSA-N 421.818 3.894 5 40 HHBB Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br 17092080 HWLWJOFFTXAAAF-UHFFFAOYSA-N 420.263 3.755 5 40 HHBB CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 24537079 PJYFYMYOBYKKLV-UHFFFAOYSA-N 411.245 3.654 5 40 HHBB COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 408568162 HUYNABHBPRHKDF-QGZVFWFLSA-N 416.434 3.612 5 40 HHBB O=C(O)[C@@H]1CS[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)N1 408991029 MJDAVWVZZFCIFF-ZANVPECISA-N 409.470 3.737 5 40 HHBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O 409167710 JKRALHYPLJEBTL-MHWRWJLKSA-N 411.439 3.887 5 40 HHBB C[C@@](O)(C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1)C(F)(F)F 545956804 UARDMIMOGQTJCZ-CQSZACIVSA-N 414.302 3.779 5 40 HHBB Cc1cc(C)c(C)c(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 2809607 WFXIMDQQONVABX-GHSBBIOCSA-N 422.437 3.979 5 40 HHBB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 4716823 AFTZVMNBTQGQMZ-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1Cl 5448627 OIRYKHGZOWKRPX-UHFFFAOYSA-N 403.851 3.775 5 40 HHBB COC(=O)c1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 5559664 UXZVPYZIYQWULY-MORSLUCNSA-N 421.446 3.542 5 40 HHBB C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NC[C@H](O)c1ccccc1 6659862 BRWGPMGYXODUQH-VFNWGFHPSA-N 403.434 3.563 5 40 HHBB COc1ccc(NC(=O)[C@@H](C)Sc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 26482112 KXTIBZKBTZVIEX-MRVPVSSYSA-N 402.354 3.532 5 40 HHBB COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c([N+](=O)[O-])cc1OC 222565594 RKDFNWFYSMGGEV-PDSMFRHLSA-N 400.460 3.596 5 40 HHBB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccc(Cl)c([N+](=O)[O-])c1 6508810 LEFVQMXBWKTATQ-UHFFFAOYSA-N 402.823 3.503 5 40 HHBB CCn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cccc(C)c3nc21 16974500 AMLILEARCVYVKU-UHFFFAOYSA-N 411.443 3.622 5 40 HHBB O=C(CSc1ncccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCCO2 58407049 SEZAHSJAANRXTQ-HNNXBMFYSA-N 415.471 3.607 5 40 HHBB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225089706 BMGRJBYGYHFXIR-UHFFFAOYSA-N 412.851 3.558 5 40 HHBB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408818154 YBDKQVZWCLHKQA-YVLHZVERSA-N 400.412 3.849 5 40 HHBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1Nc1cccc(Cl)c1 2071516 IKTOKHSFZOXCIV-UHFFFAOYSA-N 412.745 3.933 5 40 HHBB Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)ccc1[N+](=O)[O-] 22257180 CUZBDAOWDGXCCU-UHFFFAOYSA-N 410.430 3.769 5 40 HHBB C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 100767303 DBFROQUVDRUPBV-HRCADAONSA-N 423.465 3.721 5 40 HHBB Cc1c(O[C@@H](C)C(=O)NC[C@@H](O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 6659579 BSPNMOIRUNESNA-HRAATJIYSA-N 417.461 3.872 5 40 HHBB O=C(CN1C(=O)c2ccccc2O[C@@H](c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 9186379 LKBQBGXCHRIJLF-NRFANRHFSA-N 416.389 3.580 5 40 HHBB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 101845659 UOTQFAQAAWCIGH-XLAORIBOSA-N 414.801 3.707 5 40 HHBB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20663578 RTWQKIZXHKSFAD-LBPRGKRZSA-N 405.252 3.607 5 40 HHBB Cc1cc(NC[C@@H](c2ccc(C)o2)N2CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 48288490 YRQSWVUTXKEPBS-IBGZPJMESA-N 423.473 3.747 5 40 HHBB O=C(c1ccccc1)[C@H]1C(c2ccc([N+](=O)[O-])cc2)=NO[C@]12C(=O)Nc1ccccc12 13629262 JHWGXAQPUPVFDH-XXBNENTESA-N 413.389 3.676 5 40 HHBB O=C(C[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 9190681 OOUZQXPVFKASNZ-HSZRJFAPSA-N 420.396 3.741 5 40 HHBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 5294874 HVWOVLSWSVYTRS-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB CN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1cccs1 13679597 IRBCHZLUMVSGMK-UHFFFAOYSA-N 417.468 3.734 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1Cl 3445595 ODZPDFVJFQWAKI-MRVPVSSYSA-N 414.748 3.719 5 40 HHBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 9262245 MHVCRISUBMPYIT-UJFYRASASA-N 416.411 3.761 5 40 HHBB CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 12750361 ZXIKPCJOMOKCQM-CQSZACIVSA-N 401.488 3.986 5 40 HHBB C[C@@H](Sc1ccc(NC(=O)CCC(=O)O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 17091035 BKWRZKSMHBLUCC-GFCCVEGCSA-N 417.443 3.517 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@@H](C)CC3(C)C)cc2)cc1[N+](=O)[O-] 48312050 NWKGLSGPSGJWJK-AWEZNQCLSA-N 417.487 3.717 5 40 HHBB O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 408662432 IJPHVUDTDBYPLW-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32039717 DGOSEHOMBYWSKU-UHFFFAOYSA-N 404.348 3.772 5 40 HHBB COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)o1 226769181 LWGYLGWDOZELJO-UHFFFAOYSA-N 405.366 3.606 5 40 HHBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCC2)c1 223794911 SSLBSUSILJHMOV-SFHVURJKSA-N 423.513 3.922 5 40 HHBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 4121241 ZSTJPZIZPSGKSZ-UHFFFAOYSA-N 410.474 3.604 5 40 HHBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 4330429 NTCYLDGKYLHAQA-UHFFFAOYSA-N 403.851 3.775 5 40 HHBB O=c1[nH]c(/C=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)nc(O)c1[N+](=O)[O-] 9235091 DHVAXHGERCPMGO-DAFODLJHSA-N 409.442 3.728 5 40 HHBB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 43148750 IRINIXLUTOAPID-UHFFFAOYSA-N 412.446 3.794 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 220379313 OMJSCOREYRFUHR-HNNXBMFYSA-N 419.503 3.820 5 40 HHBB COCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(Cl)cc3)cnc21 2253129 JVEVPASORJZOAD-UHFFFAOYSA-N 419.872 3.643 5 40 HHBB C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 3008086 KPZXSHZDEZBLQT-CYBMUJFWSA-N 410.455 3.933 5 40 HHBB Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 5549154 ZCOPGHPDWGMNPY-YCIYHOANSA-N 410.429 3.780 5 40 HHBB Cc1nc(Nc2ccc(C(=O)O)cc2)nc(Nc2ccc(C(=O)O)cc2)c1[N+](=O)[O-] 6177595 CYEKOHMMJSLLAX-UHFFFAOYSA-N 409.358 3.577 5 40 HHBB O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1cccc([N+](=O)[O-])c1 9892025 PRMCTUBQFKPYIL-UHFFFAOYSA-N 422.368 3.988 5 40 HHBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1ccc(Cl)cc1Cl 13130790 BMKLKRYRJLYGOQ-FPYGCLRLSA-N 423.252 3.817 5 40 HHBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1[N+](=O)[O-] 14822573 LTHMVHUDLJXBMS-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB CCCSc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1 24193358 ZVFQZOJZFUTADD-UHFFFAOYSA-N 411.578 3.864 5 40 HHBB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 27986966 YAAXSMCKKLIGIZ-BETUJISGSA-N 417.849 3.750 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc(C(C)C)n[nH]2)cc1[N+](=O)[O-] 58202708 SOQDPFYDUKTSDE-UHFFFAOYSA-N 401.448 3.613 5 40 HHBB CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 84770973 PGJODSLOKUIUQK-CYBMUJFWSA-N 424.461 3.836 5 40 HHBB CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(Br)cc1 224735234 SDKAYCOFYRXAJM-UHFFFAOYSA-N 415.265 3.581 5 40 HHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2ccccc2F)c1=O 5270494 VUDWWEIUPJDWJK-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB COc1cc(OC)cc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 9730366 NCVSUPRIRCQPKC-UHFFFAOYSA-N 422.459 3.579 5 40 HHBB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 20197011 RFWKYDLZFCNNAV-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O 40116405 RVSBVXSAHRWDJP-SFHVURJKSA-N 424.240 3.748 5 40 HHBB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 40142516 KQAUNYYCEYORCU-JKSUJKDBSA-N 413.522 3.711 5 40 HHBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1C 409351707 YKXQHEYDCJORFJ-LICLKQGHSA-N 411.439 3.887 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)c1ccccc1 409368143 UAGAFZNXIHMODB-FHQLIMNDSA-N 416.433 3.999 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 3242028 DOTNCNFFWQYHNP-UHFFFAOYSA-N 416.405 3.736 5 40 HHBB CCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 4891366 DRCJVBPFGACUHO-UHFFFAOYSA-N 411.443 3.634 5 40 HHBB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8327234 UPGYMFQTAWKZKF-UHFFFAOYSA-N 407.382 3.745 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@@H](O)c2ccccc2F)CC1 26902081 QYNCBQBMZPHCPZ-GOSISDBHSA-N 413.371 3.608 5 40 HHBB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1cccc([N+](=O)[O-])c1 32032482 TURRPBSTDNYICQ-UHFFFAOYSA-N 417.468 3.638 5 40 HHBB NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2[N+](=O)[O-])c1 40155888 ZKRBMGVKRNTOHF-UHFFFAOYSA-N 404.426 3.928 5 40 HHBB O=C(CN(CCCO)[C@H]1CCCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] 72308759 GTCFWRQJIDYMBF-IBGZPJMESA-N 417.893 3.949 5 40 HHBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224055430 QWVNUDVVHFGSJO-OAHLLOKOSA-N 415.465 3.608 5 40 HHBB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cccc([N+](=O)[O-])c1 12249580 PNOGDJDUJDINMC-UHFFFAOYSA-N 420.834 3.941 5 40 HHBB CCOC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 40144695 UATNFKVWZULOST-UHFFFAOYSA-N 413.430 3.738 5 40 HHBB O=C(O)c1ccc(Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 3150504 RXSQHVAGFGGZQG-UHFFFAOYSA-N 404.334 3.886 5 40 HHBB O=C(c1cccc(OC(F)F)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 7982251 GQUMTRSIOUGUOI-UHFFFAOYSA-N 411.792 3.812 5 40 HHBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccc(F)cc3)n2)c1 15675742 CNMMEDYBQTUZIP-IBGZPJMESA-N 420.404 3.807 5 40 HHBB biogenic,in-vitro COc1ccc(-c2ccc(C(=O)Nc3cc(C)c(O)c(C(=O)O)c3)o2)c([N+](=O)[O-])c1 20140670 SSEMRXXBJKXCPS-UHFFFAOYSA-N 412.354 3.828 5 40 HHBB COc1ccc2cc(CN(C)C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)ccc2c1 25680686 LNMMFGDVRCPTFN-UHFFFAOYSA-N 408.410 3.800 5 40 HHBB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 59488982 LMZNDVKDOUYAPK-GOSISDBHSA-N 407.348 3.767 5 40 HHBB Cc1ccc2c(c1)c1ncnc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c1n2C 5370070 RZOMVJNHPNQGFM-UHFFFAOYSA-N 402.458 3.665 5 40 HHBB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)c1 5548122 AONQYTHLUJEJMC-ZKKFKWFVSA-N 410.429 3.780 5 40 HHBB O=C(COc1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6969769 DXJLKTWKSJZCRM-UHFFFAOYSA-N 410.257 3.629 5 40 HHBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 5544421 IGTVEUKVEWXCRB-ZKKFKWFVSA-N 410.429 3.780 5 40 HHBB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 12869685 CYTRBIRIAFKZIO-NSHDSACASA-N 416.817 3.585 5 40 HHBB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 58434979 VAVDTAPEUPVYKJ-HNNXBMFYSA-N 415.469 3.759 5 40 HHBB O=C1[C@H](Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(O)=NN1c1ccc(Cl)c(Cl)c1 104836317 FVSHIFCYIVHVRZ-SNVBAGLBSA-N 424.196 3.707 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 5508643 YYJDKZWAVVGAPN-UHFFFAOYSA-N 414.805 3.538 5 40 HHBB CCc1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 6942863 CWGNTSZVSPDEJW-UHFFFAOYSA-N 403.866 3.538 5 40 HHBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 7982749 VTYSPQNKHVDWCJ-UHFFFAOYSA-N 411.867 3.531 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1Cl 12806647 OMJGLMDEGLJLTP-OAHLLOKOSA-N 424.862 3.545 5 40 HHBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 17088108 DTOGJOACSDQNHO-UHFFFAOYSA-N 408.823 3.900 5 40 HHBB Cc1ccc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 26002908 IWDKHONEQWSYPX-UHFFFAOYSA-N 418.475 3.905 5 40 HHBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(F)cc1 30996700 CWBVGQBMAWMGAW-UHFFFAOYSA-N 400.332 3.664 5 40 HHBB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O 40116407 RVSBVXSAHRWDJP-GOSISDBHSA-N 424.240 3.748 5 40 HHBB COc1cccc(Cn2c(Cc3ccccc3)nc3ccc([N+](=O)[O-])cc3c2=O)c1 1223041 HBSCAJCQVJXRBK-UHFFFAOYSA-N 401.422 3.952 5 40 HHBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222461235 KKFDFDPMTJCJET-HXUWFJFHSA-N 411.502 3.778 5 40 HHBB O=C(CNC(=O)c1cccs1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10041257 UOCZUBHKTVTHFU-HXUWFJFHSA-N 424.434 3.554 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 1417352 JVRCQQHMUIURTO-LICLKQGHSA-N 400.412 3.849 5 40 HHBB O=C(NC1CCN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccccc1 12772528 NPNNAGHHXCSATQ-VQHVLOKHSA-N 413.861 3.682 5 40 HHBB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 5417076 JLNRBKZLLRMTDF-GQCTYLIASA-N 400.334 3.870 5 40 HHBB O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 5899019 JJAJBJSJOUXSEF-UHFFFAOYSA-N 414.893 3.714 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CSCN1C(=O)OCc1ccccc1 3666248 QOSMKEBOQCPLED-KRWDZBQOSA-N 401.444 3.553 5 40 HHBB O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4725837 OTRQQIYZUDERCW-UHFFFAOYSA-N 415.427 3.884 5 40 HHBB O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc2ccccc2c1 8843657 ROMQAQUVXVGKFH-UHFFFAOYSA-N 403.346 3.894 5 40 HHBB biogenic O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)c1ccccc1 5966187 HWFYUPZRJXTRDS-UHFFFAOYSA-N 404.378 3.621 5 40 HHBB O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 12249395 WJUCVJDMPYMCJJ-UHFFFAOYSA-N 420.834 3.941 5 40 HHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cccs1 3596457 PTXRZFOQEDWFHB-UHFFFAOYSA-N 419.488 3.674 5 40 HHBB O=C(c1ccco1)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 3848877 NMFDZUZEOVXIPJ-UHFFFAOYSA-N 424.390 3.907 5 40 HHBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1ccc2c(c1)OCO2 9462440 BKZDCSLJYLBZTA-UHFFFAOYSA-N 420.443 3.681 5 40 HHBB Cc1cc(Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])ccc1Br 20176983 XFXQINIDEBXISR-UHFFFAOYSA-N 424.642 3.882 5 40 HHBB COc1c2c(c(O)c3c(=O)c4c(OC)c(O)ccc4oc13)[C@@H]1CCC[C@](C)(O2)O1 31166238 MTCOVRSZCNNQLP-MQJDWESPSA-N 400.383 3.725 5 40 HHBB biogenic,in-vitro COc1ccc(CCCN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OC 32819240 LKHAGGSGUABPNY-UHFFFAOYSA-N 424.457 3.503 5 40 HHBB CN1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229362 AGXMXXIYTXBQDG-UHFFFAOYSA-N 409.273 3.906 5 40 HHBB CCN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCSc2ccc(Br)cc21 72270996 FOWXHNKJFHUIPJ-LLVKDONJSA-N 410.297 3.793 5 40 HHBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222637679 NKAMRXADMLEZJO-GFCCVEGCSA-N 424.284 3.607 5 40 HHBB CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 409360809 PZXOTRSWNZVXAO-OVCLIPMQSA-N 401.356 3.961 5 40 HHBB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] 1838523 VJEUAVZDOHPYBN-UHFFFAOYSA-N 420.447 3.869 5 40 HHBB Cc1c(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cccc1[N+](=O)[O-] 8330925 IHTMFRMNUQZXIY-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 8903757 GAZARZQCBDIDDB-UHFFFAOYSA-N 415.427 3.787 5 40 HHBB Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C3CCCCC3)c(=O)n2c1 15952827 BFTXHXKZJZCWJJ-UHFFFAOYSA-N 419.529 3.615 5 40 HHBB O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410812 BMRPTVGXGKVUDN-UHFFFAOYSA-N 407.879 3.816 5 40 HHBB CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCc2ccccc21 29482296 CZYZEZYWRCYDJZ-QGZVFWFLSA-N 404.264 3.915 5 40 HHBB COc1ccc(CN([C@@H](C)C2CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 31656755 UDARIPWZHRUQAS-HNNXBMFYSA-N 404.488 3.901 5 40 HHBB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 95909132 NOMVSDQTOAIXOV-KSZLIROESA-N 415.833 3.503 5 40 HHBB C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC1=CCCCC1 4840366 JJABPXLQUHFDAP-MRXNPFEDSA-N 415.490 3.747 5 40 HHBB Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12561801 ZTKUJSLLVZWJFP-UHFFFAOYSA-N 419.485 3.521 5 40 HHBB C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 12586972 GVOZNSCMRFKPIM-LBPRGKRZSA-N 407.268 3.830 5 40 HHBB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)O[C@H](C)C2 12771258 DVLOZLYPZMTWQZ-VXGBXAGGSA-N 403.410 3.895 5 40 HHBB Cc1nn(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)c(C)c1[N+](=O)[O-] 32856140 VNCMMWOFJDRFBU-UHFFFAOYSA-N 408.462 3.890 5 40 HHBB O=C(Nc1ccccc1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 43334002 HRCKSOLHKQXEGW-UHFFFAOYSA-N 417.469 3.935 5 40 HHBB O=C1C[C@@H](c2cc(Br)cc3c2OCOC3)Oc2ccc([N+](=O)[O-])cc21 1316114 BHZJYBGFBKEAED-INIZCTEOSA-N 406.188 3.930 5 40 HHBB O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCCC1 3178031 NMFVUULYDRDXBO-LEWJYISDSA-N 418.941 3.668 5 40 HHBB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 3358414 BGXXLVXXCFKUKF-UHFFFAOYSA-N 410.451 3.841 5 40 HHBB CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2C1=O 4824954 ZXABSWVBAIUDIK-UHFFFAOYSA-N 401.806 3.753 5 40 HHBB Cc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12592029 ZGQMBVSYNXAVPL-KRWDZBQOSA-N 419.485 3.601 5 40 HHBB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 24884513 DPDAAYDCWOCEMN-UHFFFAOYSA-N 402.359 3.943 5 40 HHBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 864613 RMDHEHSEZMEUKX-UHFFFAOYSA-N 419.368 3.634 5 40 HHBB Cc1ccc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2C=CS(=O)(=O)C2)cc1 1265409 RLDBONLDCYFWRQ-HNNXBMFYSA-N 406.847 3.514 5 40 HHBB Cc1ccc(NN2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1C 3044963 CTMZOISDERZSJH-UHFFFAOYSA-N 406.354 3.896 5 40 HHBB O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 6445585 WGISZFKWLHNUQX-UHFFFAOYSA-N 417.765 3.784 5 40 HHBB CCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 6624573 SGXFAZTYOXRMSW-UHFFFAOYSA-N 415.449 3.749 5 40 HHBB biogenic O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2c(=O)n3ccccc3nc2s1 6865105 OYQCUAKJYCCEKR-UHFFFAOYSA-N 400.803 3.723 5 40 HHBB COC(=O)c1cc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)ccc1Cl 409345722 JFGZSHSIVUPLOX-DAXSKMNVSA-N 417.761 3.666 5 40 HHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ncc(Cl)cc1Cl 3256721 AEODPIQXVWQWQE-UHFFFAOYSA-N 404.593 3.746 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(C)cc2)no1 7605459 NCBYSZGFWGDBFG-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 10634131 ACMJKJGQZWDPEG-NSHDSACASA-N 406.822 3.988 5 40 HHBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 15913836 GDUXLOLUKGITGV-MRXNPFEDSA-N 420.347 3.880 5 40 HHBB Cc1ccc(-c2nc(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)cs2)cc1 39978470 ZSXSIGUQAWAEBN-UHFFFAOYSA-N 411.439 3.979 5 40 HHBB Cc1cc(C)cc(Oc2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 103155523 TVGGSYRIBDYTRP-ZRNYENFQSA-N 408.410 3.671 5 40 HHBB COc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1[N+](=O)[O-] 219827553 ZIAUHDZKMJYKHQ-MRXNPFEDSA-N 400.431 3.709 5 40 HHBB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 792631 YPVVULHAJUDVJK-HXUWFJFHSA-N 404.426 3.716 5 40 HHBB CCCC[N+](CC)(CC)CCNC(=O)c1c(O)n(CCC)c2ccccc2c1=O 6072852 BWJVJRAFTAIHIG-UHFFFAOYSA-O 402.559 3.504 5 40 HHBB Cc1c(O[C@@H](C)C(=O)NC[C@H](O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 6659577 BSPNMOIRUNESNA-KKSFZXQISA-N 417.461 3.872 5 40 HHBB COc1ccc(C)cc1[C@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-] 7365653 LDWDYNUDKGDPSL-AWEZNQCLSA-N 407.492 3.772 5 40 HHBB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cccc([N+](=O)[O-])c1 10499815 INQBYZBFHGVXTK-UHFFFAOYSA-N 410.455 3.807 5 40 HHBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)n1-c1ccc(F)cc1 408576520 XODDRAGCPMKWOG-QGZVFWFLSA-N 402.407 3.554 5 40 HHBB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 8902555 NSFNHUALGFQNIM-UHFFFAOYSA-N 413.474 3.746 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 2069239 HSIAFFNYIBXDOG-UHFFFAOYSA-N 417.333 3.535 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 2711820 JPXGKYXKUDSGFA-UHFFFAOYSA-N 411.892 3.542 5 40 HHBB Cc1c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c(=O)n(-c2ccccc2)n1C 6177568 YIKGGSZHBFEMLE-UHFFFAOYSA-N 420.385 3.593 5 40 HHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(C)=O)cc3c3ccnc2c31 6624327 KQAVSUFRDQYKFC-CYBMUJFWSA-N 416.433 3.965 5 40 HHBB biogenic CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224519293 ZOGXIWKJNBGVMR-FQEVSTJZSA-N 411.502 3.717 5 40 HHBB O=C(CCc1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccc([N+](=O)[O-])c1 866244 JZWIBZQMDOAFBL-GOSISDBHSA-N 407.348 3.523 5 40 HHBB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])c2c(nc(=S)[nH]c2O)N1 28294207 LDAHILFDOQGGBY-ZDUSSCGKSA-N 402.432 3.536 5 40 HHBB COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 6043626 UZBPOPIUKRJCTM-UHFFFAOYSA-N 424.501 3.556 5 40 HHBB CCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 6569672 GKSJNWCXCIOKNX-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB C[C@@H]1CCCN(c2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 26911719 QTZJMDBPDCEZPU-OAHLLOKOSA-N 411.458 3.532 5 40 HHBB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16515676 BRVCBGPWOHWNIG-CQSZACIVSA-N 422.407 3.763 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccccc2)cc1 6252018 MBLJZNODKGNZNK-UHFFFAOYSA-N 405.362 3.854 5 40 HHBB O=c1[nH]c(O)nc(/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)c1[N+](=O)[O-] 35386598 CJXDIMHAPAPENG-RMKNXTFCSA-N 417.780 3.926 5 40 HHBB COc1cc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(OC)c1OC 1515597 DHEPKFYNBKZJNB-MKMNVTDBSA-N 418.789 3.619 5 40 HHBB Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccco2)cc1 6190197 ZMBTYMCCUGUWTK-MOSHPQCFSA-N 405.410 3.584 5 40 HHBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 7274851 CGJASNJDVSLJJK-UHFFFAOYSA-N 410.268 3.576 5 40 HHBB O=C(NCCOc1cccc(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 40113463 QPJYMBMFLRQSIY-UHFFFAOYSA-N 403.866 3.660 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1csc(-c2ccccc2)n1 4166876 MIYCEJDLMDTDRA-UHFFFAOYSA-N 403.485 3.548 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(NCCCCN(C)C)c([N+](=O)[O-])c2)c(C)c1 58148448 GYUUVSVRPQDPHD-UHFFFAOYSA-N 420.535 3.766 5 40 HHBB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 651618 YSIUQPZMSMGDOM-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)ccc2C)c([N+](=O)[O-])c1 4564814 WVZQKOGGWYOGBS-UHFFFAOYSA-N 420.487 3.504 5 40 HHBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 7388286 IMRVAVFVKCNLSR-UHFFFAOYSA-N 410.474 3.542 5 40 HHBB COC(=O)[C@H](c1ccccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 35292705 TUBOTBURGRYKMC-SFHVURJKSA-N 424.284 3.938 5 40 HHBB Cc1sc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 38641198 ZQJXVZLUWJYAFK-UHFFFAOYSA-N 403.485 3.548 5 40 HHBB CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 72302491 RTFLAUUSHRIVRE-QZTJIDSGSA-N 403.504 3.584 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@](O)(Cc1ccccc1)c1ccccc1 72304400 RRGYGPQLXADGBK-DKUDOZJNSA-N 402.450 3.855 5 40 HHBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 223637578 YCTMBRIICJTZCI-PMACEKPBSA-N 424.482 3.605 5 40 HHBB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 409368867 QJXRRPOQVKCTRW-KLDKWKSESA-N 416.433 3.999 5 40 HHBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1S[C@@H]1CCc2ccccc2C1=O 916911 BLPFNHNHAVXYRF-QGZVFWFLSA-N 410.455 3.592 5 40 HHBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 2365294 NKOMBIHTYZUDSE-UHFFFAOYSA-N 408.392 3.983 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCc3sccc3C2)nc1 13005899 NQLLFEQOAUZWNV-UHFFFAOYSA-N 410.455 3.632 5 40 HHBB COc1cccc(/C=C/C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 15534264 RQSYJEYHJBBAGW-VMPITWQZSA-N 401.850 3.619 5 40 HHBB CC(C)n1ccc2c(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)cccc21 888090420 XQYNEMVIEBRYJC-CVEARBPZSA-N 420.469 3.552 5 40 HHBB COc1ccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1[N+](=O)[O-] 3442622 GTZXHQNGIHMWCI-UHFFFAOYSA-N 414.336 3.624 5 40 HHBB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 4554047 YAQFDGRMMIEVQF-KRWDZBQOSA-N 416.459 3.580 5 40 HHBB Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCCC1 6866652 BVUHBGLMAFPYFJ-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7802923 VEAPCBQZIXRMDI-XCVCLJGOSA-N 405.376 3.976 5 40 HHBB Cc1cccc2c(=O)n(CCCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)cnc12 25834448 RRBBDJSGGOHXTI-INIZCTEOSA-N 408.458 3.613 5 40 HHBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1OC(=O)c1ccco1 408842233 JHKIBJIPKYVTAP-FOWTUZBSSA-N 404.334 3.752 5 40 HHBB CCc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 409100399 VRSDUCQWMDMMCS-IBGZPJMESA-N 421.375 3.587 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 5270621 CIYAXYJUDLMYRY-UHFFFAOYSA-N 413.817 3.719 5 40 HHBB C[C@@H](OC(=O)CCc1ccc2c(c1)OCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12452893 WQWGKOIFRTYZAM-GFCCVEGCSA-N 411.370 3.611 5 40 HHBB O=C(Nc1cccc(-n2cnnc2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl 95432824 JJIYQLXVFWTUAH-UHFFFAOYSA-N 422.626 3.844 5 40 HHBB COc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1[N+](=O)[O-] 408627768 NOOGSMWTQUFVDR-UHFFFAOYSA-N 403.460 3.765 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C)cc1Br 8433632 YMCRDDXVQMBKIA-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB CCCCNC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 1829338 MRVAOEDIJCUBSK-UHFFFAOYSA-N 407.352 3.853 5 40 HHBB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3331551 KXPLRBACKQHHEU-OAHLLOKOSA-N 422.825 3.706 5 40 HHBB CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 14012602 GGZHHYLRNWIUKE-UHFFFAOYSA-N 424.276 3.883 5 40 HHBB O=C(Nc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 16489673 APFBPZHIVGRJOJ-UHFFFAOYSA-N 404.429 3.528 5 40 HHBB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1C 7939756 QTUACGNQVWHAGR-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 64851690 PIXQIDPETCTOMD-UHFFFAOYSA-N 413.449 3.770 5 40 HHBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220543365 MRDWTVMQMOORKU-SFHVURJKSA-N 419.503 3.703 5 40 HHBB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OC 409005824 GLUHHAFMUFWCLJ-WQRHYEAKSA-N 414.439 3.891 5 40 HHBB COc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)c(OC)c1OC 1752000 ZRQCERBYBSSELH-ZSOIEALJSA-N 418.789 3.619 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 2068889 NGJCKOBITURTJX-SFQUDFHCSA-N 422.353 3.506 5 40 HHBB COc1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 3412412 ZEMAKYJXPATKTP-HNNXBMFYSA-N 400.460 3.704 5 40 HHBB CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 24537497 YMMHIVXHZLEGPI-UHFFFAOYSA-N 408.380 3.618 5 40 HHBB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 27986974 YAAXSMCKKLIGIZ-STQMWFEESA-N 417.849 3.750 5 40 HHBB COc1cc(OCC(=O)NCCCc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] 219825973 ZRLUNZCIMCMDDL-UHFFFAOYSA-N 402.447 3.518 5 40 HHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225056821 VKLJUGHZFGNBSP-MSOLQXFVSA-N 411.502 3.778 5 40 HHBB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cc([N+](=O)[O-])ccc1Cl 408562678 FGHXARHDOQDGHV-UHFFFAOYSA-N 410.817 3.826 5 40 HHBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1C 409358277 LBTSVQDZULTQJN-LICLKQGHSA-N 411.439 3.887 5 40 HHBB O=C(NC1CCCCCCC1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102834357 ILWHNTGSJRHBGM-RKAKKKFESA-N 401.511 3.711 5 40 HHBB CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O 712115 GEXGVZKQULEQLC-SXGWCWSVSA-N 410.382 3.572 5 40 HHBB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 5246123 PFGXJFDXJLSDSS-SFHVURJKSA-N 403.350 3.747 5 40 HHBB O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 4506684 FYXVQXXQPFETKN-UHFFFAOYSA-N 405.366 3.798 5 40 HHBB O=C(CSc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2cccs2)CC1 96010333 OZLYYARCTZNOQI-UHFFFAOYSA-N 411.936 3.746 5 40 HHBB CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)CC1 5029802 VEXORBQRPYBYBH-UHFFFAOYSA-N 410.522 3.662 5 40 HHBB COc1ccc2cc(CNc3cc([N+](=O)[O-])ccc3NCCO)c(Cl)nc2c1 9592733 KIVAPXBXLORFFO-UHFFFAOYSA-N 402.838 3.821 5 40 HHBB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 20609661 PWETWBJHWOQNFA-UHFFFAOYSA-N 408.443 3.966 5 40 HHBB C[C@@H]1CN(C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 40135260 DVNPVGXNKBKSGO-QZTJIDSGSA-N 423.513 3.904 5 40 HHBB C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 100767300 DBFROQUVDRUPBV-OAGGEKHMSA-N 423.465 3.721 5 40 HHBB CCCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1OCC 6931623 KABIMUQZRRTMMY-UHFFFAOYSA-N 420.393 3.717 5 40 HHBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 205633186 ZFWNAJOTWKQLSI-NTUHNPAUSA-N 418.159 3.610 5 40 HHBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220543704 PSJHHKPRCMKZEW-KRWDZBQOSA-N 419.503 3.703 5 40 HHBB O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])c3nonc23)n1-c1ccccc1 408608880 XGPQYIMUCHUQST-UHFFFAOYSA-N 417.406 3.981 5 40 HHBB COc1cc2c(cc1/C=C1/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C1=O)OCO2 409093981 CCLMUAWHRVASLN-REZTVBANSA-N 414.395 3.569 5 40 HHBB CCn1c(COc2ccccc2F)nnc1Sc1ccc([N+](=O)[O-])cc1C=O 409385065 INIRBTYBUCSTGG-UHFFFAOYSA-N 402.407 3.888 5 40 HHBB CCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccc(Br)cc2)C1 840559 VQNALFZRPHYSHM-GOSISDBHSA-N 418.247 3.815 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nnnn1-c1ccccc1 2349936 HOOIEDHOBBCUSL-UHFFFAOYSA-N 412.309 3.649 5 40 HHBB CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)c1 4688285 OQEDDPKNKSAJMU-UHFFFAOYSA-N 424.501 3.919 5 40 HHBB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4873713 CTAWXXYGKIIMAC-UHFFFAOYSA-N 402.194 3.734 5 40 HHBB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 4950039 BQMVVFOVWPQAMQ-UHFFFAOYSA-N 400.416 3.774 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8915428 CBMLQAJRCKXPHJ-IBGZPJMESA-N 404.850 3.835 5 40 HHBB CC(=O)Nc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 408639815 ZXGPNWSBSNDNIJ-UHFFFAOYSA-N 401.360 3.663 5 40 HHBB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 408647375 BRWREMYGETYNIM-SNHGZMDHSA-N 422.437 3.622 5 40 HHBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 5508622 HJLLUOPPBDKALB-KPZWWZAWSA-N 402.834 3.987 5 40 HHBB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5572090 KPBGMFRKUIDJKJ-UHFFFAOYSA-N 408.502 3.589 5 40 HHBB COc1ccccc1CCNC(=O)CSc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 10220835 WREULWDXNQACAV-UHFFFAOYSA-N 424.482 3.511 5 40 HHBB CCOc1ccc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC 13669913 JMLVJMUPYUDXOC-AWEZNQCLSA-N 408.476 3.740 5 40 HHBB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccc([N+](=O)[O-])c1 14409759 PDOYJEDAGUCHDR-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]21 15223191 JGFKJRJPMAOZLQ-OXUXUCFPSA-N 403.232 3.615 5 40 HHBB Cc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1 17051847 DNVCHJMOHTWHGI-UHFFFAOYSA-N 424.482 3.633 5 40 HHBB COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(I)c3)oc12 73641700 QUAWZFYGIKFHAR-UHFFFAOYSA-N 424.150 3.794 5 40 HHBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N(C1CCCCC1)C1CCCCC1 3321275 GOKHLBOHPNCWOZ-UHFFFAOYSA-N 413.474 3.685 5 40 HHBB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1[N+](=O)[O-] 10499811 FOCNYALTHYWHCS-UHFFFAOYSA-N 410.455 3.807 5 40 HHBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 13590710 YKCAQFZHQZDHEN-ODLFYWEKSA-N 419.418 3.634 5 40 HHBB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cn3ccc([N+](=O)[O-])n3)n2)cc1 17083148 KKWZYNRXXALLPO-UHFFFAOYSA-N 405.414 3.845 5 40 HHBB C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@H](C)C1 40081302 GBSUAXYGOLFQOM-GVDBMIGSSA-N 412.490 3.566 5 40 HHBB O=C(c1ccccc1)c1ccc(N2CCN(Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 58218691 QGZHPRDLCXBZBV-UHFFFAOYSA-N 417.465 3.854 5 40 HHBB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 5660135 JXNLKCNTGZXCNU-HNNXBMFYSA-N 411.458 3.941 5 40 HHBB aggregator COc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Br 16347829 SUCSGAPTRBAEOX-UHFFFAOYSA-N 424.276 3.801 5 40 HHBB CCc1ccc2nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)sc2c1 4583411 PKVIMVHXDLNFIT-UHFFFAOYSA-N 402.501 3.791 5 40 HHBB Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc12 4585363 QFRRLZBHXWXLOR-UHFFFAOYSA-N 406.851 3.722 5 40 HHBB Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=S)NCC(C)C)C1 8636103 FQFGERUWUOJPBJ-IAGOWNOFSA-N 413.547 3.930 5 40 HHBB biogenic,in-vitro COc1ccc([N+](=O)[O-])cc1COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 21368317 MUWQHHSEUPUZDT-UHFFFAOYSA-N 409.320 3.715 5 40 HHBB CC(=O)N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl 820902 QRWAOBVNHOOCFC-UHFFFAOYSA-N 408.197 3.508 5 40 HHBB CC(C)NS(=O)(=O)c1ccc(Nc2cc(F)cc(N3CCCC3)c2)c([N+](=O)[O-])c1 58210041 NPOGZSAORVPEDX-UHFFFAOYSA-N 422.482 3.764 5 40 HHBB COc1ccccc1-c1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(=S)n1C 36398050 HIGHRLRPHSLXLQ-CYBMUJFWSA-N 411.487 3.944 5 40 HHBB Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 95443809 HCPDSAZMJIJXTP-GOSISDBHSA-N 424.906 3.518 5 40 HHBB Cc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1[N+](=O)[O-] 1022780 LDAMQWWVDZRMRT-YBFXNURJSA-N 403.419 3.934 5 40 HHBB CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 6155443 VMHPELYWGUBPDD-LCYFTJDESA-N 417.414 3.968 5 40 HHBB CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 24735514 AWVHWZFGVWAJEP-UHFFFAOYSA-N 411.245 3.654 5 40 HHBB Cc1c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] 3255715 RNUBKKNAONQMAF-UHFFFAOYSA-N 417.727 3.766 5 40 HHBB Cc1ccccc1N1C(=O)c2cccc3c(NCCCO)c([N+](=O)[O-])cc(c23)C1=O 95470792 ZDAWIQDCRXEVAY-UHFFFAOYSA-N 405.410 3.651 5 40 HHBB COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 31034731 AETWHJMOJYHULR-CYBMUJFWSA-N 402.472 3.678 5 40 HHBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 3527748 XKMXDVMTFHXOKW-QMMMGPOBSA-N 423.353 3.774 5 40 HHBB CCCCOc1ccc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 4932516 WANXULQZRRJQTD-UHFFFAOYSA-N 416.430 3.886 5 40 HHBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 5065915 DNAPSMQATTVTHP-INIZCTEOSA-N 403.486 3.897 5 40 HHBB C[C@H]1CCCN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 5176578 PAITYTIFEMHULW-INIZCTEOSA-N 410.522 3.662 5 40 HHBB CCOc1cc(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)c([N+](=O)[O-])cc1OC 12759798 ALRMCCNHPMOLKH-LJQANCHMSA-N 415.490 3.597 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409368144 UAGAFZNXIHMODB-KLDKWKSESA-N 416.433 3.999 5 40 HHBB CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1792938 LANOCIVHYZLHRY-UHFFFAOYSA-N 411.442 3.667 5 40 HHBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCC(C)C 4333630 QPCPPLXMIVXQTQ-AWEZNQCLSA-N 416.430 3.822 5 40 HHBB COc1cc(NC(=O)COC(=O)Cc2cccc3ccccc23)c(C)cc1[N+](=O)[O-] 5061342 KUVZOPHNQDRQRT-UHFFFAOYSA-N 408.410 3.789 5 40 HHBB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cc(Cl)ccc1[N+](=O)[O-] 5754339 KFNBWIDPYOFAIP-UHFFFAOYSA-N 400.774 3.903 5 40 HHBB CCN(Cc1ccc(Cl)s1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 18831134 YELKPRNCQGFEAY-UHFFFAOYSA-N 409.895 3.809 5 40 HHBB COc1cc(C(=O)NC2=NCCS2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 40160309 HPDSITSRZOBYAZ-UHFFFAOYSA-N 407.835 3.882 5 40 HHBB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 58434976 VAVDTAPEUPVYKJ-OAHLLOKOSA-N 415.469 3.759 5 40 HHBB COc1cccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 218122314 JCTNWHVRNDSUHX-UHFFFAOYSA-N 402.794 3.579 5 40 HHBB O=C(CNC(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc12 627860 SDRBBOMZERZCLP-UHFFFAOYSA-N 403.390 3.778 5 40 HHBB O=C(CN1C(=O)c2ccccc2O[C@H](c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 8914717 LKBQBGXCHRIJLF-OAQYLSRUSA-N 416.389 3.580 5 40 HHBB COc1ccccc1OCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)o1 19927421 WHXBFTRSGBTJEV-UHFFFAOYSA-N 401.400 3.540 5 40 HHBB COc1cccc(-c2noc(-c3cccn4c(=O)c5ccccc5nc34)n2)c1OC 21730396 DGIUXDCDCADINP-UHFFFAOYSA-N 400.394 3.582 5 40 HHBB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4687398 NYJVKMRCIXVSNV-UHFFFAOYSA-N 400.866 3.785 5 40 HHBB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4840098 VHNMJUKZCKCXHZ-HOTGVXAUSA-N 403.479 3.531 5 40 HHBB CCCC1=C(C(=O)OCC)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2nc(C)nc2N1 14163446 VOBQBAQRVGUBEV-MRXNPFEDSA-N 405.842 3.780 5 40 HHBB Cc1ccccc1OCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16363000 PAKYMJJBLZAKJY-UHFFFAOYSA-N 423.391 3.650 5 40 HHBB CS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 19934155 MFFGFFUIDCGGBE-UHFFFAOYSA-N 404.231 3.525 5 40 HHBB CN(Cc1ccc(Br)cc1)C(=O)CCn1ncc2ccc([N+](=O)[O-])cc21 32932506 XYNHTPVACZXVJJ-UHFFFAOYSA-N 417.263 3.756 5 40 HHBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 33407448 DEOBQONWMLYPIH-UHFFFAOYSA-N 411.417 3.958 5 40 HHBB CN(CCCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 40120149 HLGBWOWEIACJIZ-UHFFFAOYSA-N 411.380 3.792 5 40 HHBB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]21 100184574 JGFKJRJPMAOZLQ-DPDCMNJDSA-N 403.232 3.615 5 40 HHBB CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]21 101359452 DWNWFLJGOOEXSQ-XYPYXGAPSA-N 403.232 3.615 5 40 HHBB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225424216 XARHXIPLPOBLGL-ROUUACIJSA-N 411.502 3.512 5 40 HHBB COc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cc1OC 408527159 BAWUEZJIDBFHCH-UHFFFAOYSA-N 415.789 3.942 5 40 HHBB O=C(c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCCC1 1383421 ZWFBAHZBLSHMTH-UHFFFAOYSA-N 422.890 3.848 5 40 HHBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc[nH]1 3433435 BGCPASFLPSVXPM-UHFFFAOYSA-N 412.785 3.847 5 40 HHBB COc1ccc(CN([C@H](C)C2CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 31656757 UDARIPWZHRUQAS-OAHLLOKOSA-N 404.488 3.901 5 40 HHBB O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4ccnc(C5CCCC5)n4)CC3)nc2c1 97166114 TYPKVISAKKMIOH-UHFFFAOYSA-N 407.478 3.635 5 40 HHBB COCCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cc([N+](=O)[O-])ccc21 100872687 CGCMOBUEIILSNH-ZZEZOPTASA-N 414.468 3.608 5 40 HHBB CC(C)(C)NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 3056119 ZQTRQMHIBDOXSO-ATVHPVEESA-N 401.850 3.934 5 40 HHBB Cc1ccc(C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1[N+](=O)[O-] 5166311 IHPXJKAQMWMTIF-UHFFFAOYSA-N 413.484 3.708 5 40 HHBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 6400926 WEHSMFRVZKDMRZ-UHFFFAOYSA-N 419.437 3.932 5 40 HHBB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16044829 PTWGNSGHVDNVIM-SNVBAGLBSA-N 418.862 3.614 5 40 HHBB O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1Nc1ccc(Br)cc1 16428679 HIAGRJGLFUKJCY-UHFFFAOYSA-N 410.615 3.573 5 40 HHBB CN(C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1c(F)cccc1Cl 32869518 VKKHKLFQYYOYLZ-GOSISDBHSA-N 420.872 3.994 5 40 HHBB Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 33187470 WNWXTKPEZUDCKR-UHFFFAOYSA-N 421.375 3.520 5 40 HHBB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O 409149002 VRIZOBSKOSZOEF-LDADJPATSA-N 414.439 3.857 5 40 HHBB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 12528515 HCVYNHFCBVTIND-UHFFFAOYSA-N 410.474 3.968 5 40 HHBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)c(C)nc21 2257709 KQYHCFXNBFFNOO-INIZCTEOSA-N 405.502 3.972 5 40 HHBB COc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 12777684 PFNGIJPAZPHDFX-CQSZACIVSA-N 410.430 3.806 5 40 HHBB CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 8683398 RCVHDOCJQYSEPU-INIZCTEOSA-N 415.431 3.604 5 40 HHBB aggregator O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1c(F)cccc1Cl 4579932 XZFYBISKSFSETI-UHFFFAOYSA-N 414.842 3.751 5 40 HHBB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14667436 OUTDICOQCQKXBN-XCVCLJGOSA-N 421.375 3.855 5 40 HHBB CCCCc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220412389 IQVGEYLKZBYLPE-OAHLLOKOSA-N 419.503 3.731 5 40 HHBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224519343 ZOGXIWKJNBGVMR-HXUWFJFHSA-N 411.502 3.717 5 40 HHBB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)no1 5246119 PFGXJFDXJLSDSS-GOSISDBHSA-N 403.350 3.747 5 40 HHBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)Nc1ccccc1F 9829066 HZWRYXAFHTXBDB-UHFFFAOYSA-N 424.417 3.569 5 40 HHBB COc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc1OC 5348645 LKSPFNDUDXSZBO-UHFFFAOYSA-N 405.406 3.981 5 40 HHBB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccc(Cl)cc1[N+](=O)[O-] 6565895 UVCXAJYFIQYBDB-UHFFFAOYSA-N 402.823 3.503 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](O)c1ccc(Cl)cc1 12523084 BMDGPOQROXHLSG-OAQYLSRUSA-N 406.869 3.658 5 40 HHBB O=[N+]([O-])c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2ccncc12 12643443 LFHLDFRMPILZCX-UHFFFAOYSA-N 412.877 3.997 5 40 HHBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716625 CBBAXGKKZVJQBB-IBGZPJMESA-N 419.503 3.703 5 40 HHBB O=C(COc1ccccc1Cl)NC(=S)Nc1c([N+](=O)[O-])ccc2ncccc12 32111858 QZHRQLHGECIVLX-UHFFFAOYSA-N 416.846 3.688 5 40 HHBB Cc1nn(-c2ccccc2)c(O)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100288113 OTLCAIDYFXAEFV-BQYQJAHWSA-N 411.330 3.781 5 40 HHBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408685652 PQUNIMCZYHTBBV-YSGRDPCXSA-N 421.453 3.573 5 40 HHBB Cc1cc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)ccc1[N+](=O)[O-] 7508668 QCUJFAALUVJASK-UHFFFAOYSA-N 415.409 3.558 5 40 HHBB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 8871089 VTEJSNULSABXOV-NSHDSACASA-N 422.420 3.732 5 40 HHBB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc2c1OCO2 13546621 YWHBSLWZTJXTMG-PXNMLYILSA-N 414.395 3.569 5 40 HHBB COP(=O)(OC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccccc1 16752942 NPUXUAUDEIEVNQ-UHFFFAOYSA-N 403.331 3.973 5 40 HHBB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 29820799 RQQUIBXOEKXUOK-KRWDZBQOSA-N 418.421 3.916 5 40 HHBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cc(Cl)ccn3)c([N+](=O)[O-])c2)C1 95467514 RXUBDTVODWIGNK-CYBMUJFWSA-N 424.910 3.676 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c([N+](=O)[O-])c1 408624578 VCAKUDWPXADXSW-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 408645273 UOLYXNKKEFKENC-JTQLQIEISA-N 424.240 3.902 5 40 HHBB CCOc1cc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OC 7568516 URPWPKHVDQTIAH-LBPRGKRZSA-N 413.386 3.970 5 40 HHBB CCCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC)c3)CC2)cc1 13633008 IIQGMAAYPZHLOK-UHFFFAOYSA-N 412.490 3.778 5 40 HHBB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 16682521 RGXUELLHXLRPNJ-INIZCTEOSA-N 421.862 3.864 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCCO2)CC(F)(F)F 40155020 XIYCFSWUNSAWLN-FNORWQNLSA-N 422.359 3.970 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 95346077 OBTZGXKXSUAATG-HBMCJLEFSA-N 415.405 3.646 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccccc1Cl 408703208 OPCRDQNMKACAQE-UHFFFAOYSA-N 400.909 3.768 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 409126528 CALLFXGHYPUNGL-UHFFFAOYSA-N 413.459 3.618 5 40 HHBB Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccc(F)cc1 409204391 GNMCQEJSMITUPE-ZZEZOPTASA-N 416.390 3.759 5 40 HHBB CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 867232 TUJBRIPAOBTKPR-KRWDZBQOSA-N 416.890 3.988 5 40 HHBB CC[C@@H](C)NC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845303 DZKLOYHNEWQWBE-SNVBAGLBSA-N 407.352 3.852 5 40 HHBB CCCCSCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 23114493 FODBERRJDSKNCP-UHFFFAOYSA-N 408.501 3.899 5 40 HHBB CSc1ccc(N2C[C@@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 12899869 IHYPSXCDHGCXMC-HOCLYGCPSA-N 413.499 3.889 5 40 HHBB CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 11092886 CTHJEBZTTPVVFO-RNODOKPDSA-N 417.437 3.819 5 40 HHBB CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 17089171 HXPMKFWKZQHYIW-UHFFFAOYSA-N 412.490 3.838 5 40 HHBB CC1(C)C[C@@H](N)C[C@@](C)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 4284108 RXZUTZHCCRCZKR-BDJLRTHQSA-N 423.457 3.844 5 40 HHBB O=Cc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc12 17082320 NSEHWJILLCUCCU-UHFFFAOYSA-N 402.204 3.763 5 40 HHBB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]21 100184655 DWNWFLJGOOEXSQ-HOJOPBEUSA-N 403.232 3.615 5 40 HHBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 7257860 LEUKLUJDFJUHCR-UHFFFAOYSA-N 419.485 3.656 5 40 HHBB CC(C)OC(=O)C[C@@H](NC(=O)N1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] 9112193 RHRCLFAJOPTVMI-LJQANCHMSA-N 411.458 3.746 5 40 HHBB COc1ccccc1-n1cnnc1SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 9714852 UVVKRLCMLXXUHI-UHFFFAOYSA-N 419.850 3.568 5 40 HHBB CCCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257176 NQUCBHUTSAWICI-UHFFFAOYSA-N 410.430 3.771 5 40 HHBB COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1F 24724640 IWRWAIJMBXRIQT-UHFFFAOYSA-N 416.405 3.773 5 40 HHBB CS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3=O)c(Cl)c2)c([N+](=O)[O-])c1 32871932 ISUHHNQVBCVVGY-UHFFFAOYSA-N 409.851 3.522 5 40 HHBB O=C(c1ccccc1)c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 40153778 YNQUSDNEUWTHMR-GOSISDBHSA-N 403.442 3.697 5 40 HHBB COc1ccc(NC(=O)CCN2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 40154732 JRPRDQVYSRMOSG-LJQANCHMSA-N 419.865 3.659 5 40 HHBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2cccc(Cl)c2)c1 216491565 KHGAYLVPNHSLRV-UHFFFAOYSA-N 400.909 3.601 5 40 HHBB C[C@H]1CC[C@@H](C(F)(F)F)CN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 611541276 LMBDVIFQSZEUHE-WDEREUQCSA-N 416.787 3.961 5 40 HHBB COCCCn1c(-c2ccc(Cl)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2362242 MIJVRDQBAIZHRR-UHFFFAOYSA-N 409.873 3.605 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)cc([N+](=O)[O-])c1O 4014260 WVXPVWUJNMAOFE-UHFFFAOYSA-N 416.571 3.877 5 40 HHBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccc(F)cc2)CC1 32906152 UQFZQNBRUREHQI-UHFFFAOYSA-N 403.479 3.561 5 40 HHBB COc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 46069182 GJBDFHBQWAZURS-BETUJISGSA-N 403.410 3.608 5 40 HHBB CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OC)c1 55536883 VBKNWRXTZITTJV-INIZCTEOSA-N 406.822 3.681 5 40 HHBB CCOC(=O)c1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 100032271 UNLNJNYLINDLIR-OXJNMPFZSA-N 413.455 3.706 5 40 HHBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccccc1 408903532 ZHAGFGBLLMNSOW-AQTBWJFISA-N 411.439 3.672 5 40 HHBB COc1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OCc1cscn1 32796538 MKQJWIQQDZOJOR-UHFFFAOYSA-N 411.439 3.842 5 40 HHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2414512 GKPJXGWQNCYJPJ-UHFFFAOYSA-N 413.481 3.769 5 40 HHBB C[C@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C[C@H](C)O1 14121662 WAMBUZJONDQFNZ-QWRGUYRKSA-N 410.883 3.566 5 40 HHBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 15974481 VIOQMHFXBBUGIL-LJQANCHMSA-N 404.430 3.731 5 40 HHBB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc12 5121675 NNJFKSRWKVWIQO-UHFFFAOYSA-N 414.487 3.730 5 40 HHBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1512718 RKHULYNMYFJETC-YQORSWRPSA-N 414.392 3.611 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5181902 CLCAVKSJGRDDLZ-UHFFFAOYSA-N 402.863 3.820 5 40 HHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccn(Cc2cccc(F)c2)c1=O 10187750 GALYFJUFDSHUEZ-UHFFFAOYSA-N 424.413 3.806 5 40 HHBB Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NS(=O)(=O)c1ccccc1 10328892 KYIKWXVOYKZZKC-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccccc1 102724818 LGWZTUBTNDZURN-NJYVYQBISA-N 415.405 3.646 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1 8453661 XRZHWSUHYKRPNH-UHFFFAOYSA-N 419.781 3.863 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 40116304 MLRBKFIPEKOLAF-UHFFFAOYSA-N 401.419 3.693 5 40 HHBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1 15009259 LRPPXDOFZGENPZ-PKNBQFBNSA-N 409.398 3.532 5 40 HHBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1C(=O)c2ccccc2C1=O 17091008 WDXAQLRSWAERFP-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1 3549856 PFRHFTWCGOOGOL-UHFFFAOYSA-N 414.224 3.930 5 40 HHBB COc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 9715914 LTDDWQKYZKSJPZ-UHFFFAOYSA-N 420.421 3.995 5 40 HHBB Cc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1C 222633106 NRGXCOQXUCRRLU-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O)Nc1ccccc1Cl 409245253 PTXLYLHMOQDYNN-KPKJPENVSA-N 407.791 3.516 5 40 HHBB Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 667520 VSUMAPLAVNMIRD-UHFFFAOYSA-N 400.460 3.566 5 40 HHBB COc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)cc1Cl 4277572 PQTUXBSJXVYNLF-UHFFFAOYSA-N 407.231 3.720 5 40 HHBB CC(C)c1ccc(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 5708786 MWQZXHCDGFLPOO-UHFFFAOYSA-N 412.442 3.595 5 40 HHBB O=C(CSc1nncn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9562314 IIDXAFMQTGJFOM-UHFFFAOYSA-N 423.376 3.925 5 40 HHBB COc1ccc(C2(CNCc3ccc([N+](=O)[O-])cc3)CCC(O)CC2)cc1OC 19702993 MANMIQFVUCZEHR-UHFFFAOYSA-N 400.475 3.575 5 40 HHBB biogenic CC[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 58544421 IBPZEKDCRAUTCV-QZTJIDSGSA-N 403.504 3.666 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl 409248554 HHHAQQSEIKZHTN-OQLLNIDSSA-N 417.830 3.923 5 40 HHBB CC(C)n1ccc2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)ccc21 888089687 XPWXZXIGZNZCPJ-QAPCUYQASA-N 420.469 3.552 5 40 HHBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 6238756 GRBYJNJTJDKPTF-IZZDOVSWSA-N 422.485 3.551 5 40 HHBB CC(C)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 7889799 WSTNJDJRAJZMBC-OAQYLSRUSA-N 400.431 3.648 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 8435604 OJUFNSQLOKUUEH-UHFFFAOYSA-N 415.387 3.592 5 40 HHBB O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1 8443090 XUIWVSVQXYBWOQ-UHFFFAOYSA-N 419.422 3.925 5 40 HHBB Cc1ccc(C(=O)NCC(=O)N2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] 21070732 ZTXJMUXHLCJKMD-UHFFFAOYSA-N 409.486 3.504 5 40 HHBB COC(=O)c1cc2cc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2o1 69420855 IKAPOPUBFSCJBQ-UHFFFAOYSA-N 424.818 3.890 5 40 HHBB CCCN1C(=O)N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409232617 ALTZDTXQAGGCNP-XDHOZWIPSA-N 404.426 3.901 5 40 HHBB CNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1 1464390 ILOGGTAYVKGEFJ-CPNJWEJPSA-N 405.410 3.680 5 40 HHBB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] 5897383 PWXLYLUOCWXGKT-UHFFFAOYSA-N 400.460 3.625 5 40 HHBB Cc1noc(C)c1CN1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 32911800 QBINXUABSLDYMD-UHFFFAOYSA-N 420.469 3.753 5 40 HHBB COC(=O)C1=NOC2(CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 97163714 PPYIKHLYCYIPOY-UHFFFAOYSA-N 421.759 3.555 5 40 HHBB COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCO2 1716382 VWDKDQFKYJAQOH-WUXMJOGZSA-N 406.188 3.800 5 40 HHBB O=[N+]([O-])c1ccc(-c2nnc(SC/C=C/S(=O)(=O)c3ccccc3)o2)cc1 9892578 OZCWOKZQCDAZTE-UUILKARUSA-N 403.441 3.725 5 40 HHBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccccc1C(C)=O 24773261 VUZCBOOBYZIIJY-UHFFFAOYSA-N 400.431 3.879 5 40 HHBB CC(C)(C)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 526052279 PLWRZTMEOAVUFK-GOSISDBHSA-N 410.430 3.927 5 40 HHBB Cc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C 10334471 SADMLZGAORBCHB-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1 78823246 FTQVOBNFPZNXOO-OAHLLOKOSA-N 410.879 3.707 5 40 HHBB O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(C(F)(F)F)c1 1429586 QHAWXEAHTAPFHY-OAHLLOKOSA-N 418.327 3.945 5 40 HHBB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 4784259 SWKHIBRWEQKGHD-DEOSSOPVSA-N 416.433 3.911 5 40 HHBB COc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] 9426118 ODTXYYQCWWXXND-UHFFFAOYSA-N 404.382 3.737 5 40 HHBB CN(C(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc([N+](=O)[O-])cc1 12772536 BNFRGPFUZNSQDX-UHFFFAOYSA-N 411.458 3.731 5 40 HHBB CSc1nc(O)c2c(n1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc([N+](=O)[O-])cc1 18165061 YQLRHSKPOPNTJI-AWEZNQCLSA-N 416.459 3.595 5 40 HHBB CC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCN(Cc2ccccc2)CC1 96012255 QBCHMFVKVYGLIB-UHFFFAOYSA-N 422.529 3.546 5 40 HHBB COc1ccc(C(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Br 24175320 HKYLLARTJKINAI-UHFFFAOYSA-N 408.204 3.714 5 40 HHBB O=C(CCCNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccco1)N1CCCCC1 58050726 MWQRAHCRDCTFEZ-LJQANCHMSA-N 400.479 3.723 5 40 HHBB COc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1850897 ZIAQVRWXRBXYRV-UHFFFAOYSA-N 405.790 3.646 5 40 HHBB COc1cc2nc(SCc3cccc([N+](=O)[O-])c3)n3nc(C)nc3c2cc1OC 5005748 HZPHIDNBZFMUAM-UHFFFAOYSA-N 411.443 3.804 5 40 HHBB Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Br)c1 9220389 WCNIKNNUPAMDAB-UHFFFAOYSA-N 420.263 3.755 5 40 HHBB Cc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 13957792 WPYOVYYRGWJTPQ-UHFFFAOYSA-N 416.459 3.553 5 40 HHBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 69056467 KAAACVHVGOQPBV-AWEZNQCLSA-N 422.407 3.763 5 40 HHBB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1CCCO1 3337069 CNUNIMDCCPGXSE-HNNXBMFYSA-N 420.849 3.885 5 40 HHBB CCN(CC)C(=O)CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc12 4886069 PUKOSGMLTGOFOU-UHFFFAOYSA-N 403.489 3.622 5 40 HHBB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1[N+](=O)[O-] 17093612 QQYQMLAUBJAWFA-UHFFFAOYSA-N 423.498 3.961 5 40 HHBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C)cc1 224178198 ZHKWIGOWBAUGLJ-SFHVURJKSA-N 411.502 3.635 5 40 HHBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCC(C)C)cc1 2365382 VRTMPLLUUQYDSG-UHFFFAOYSA-N 403.482 3.970 5 40 HHBB COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 4148306 FABQQKKIGCAGLX-UHFFFAOYSA-N 404.400 3.545 5 40 HHBB COc1cccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCC2)c1 12533572 NANVMWSNXIIPIS-JOCHJYFZSA-N 424.501 3.745 5 40 HHBB Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)ccc1[N+](=O)[O-] 12738568 AVXHWQHLTRBJDG-UHFFFAOYSA-N 422.510 3.985 5 40 HHBB COc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c(OC)c1OC 13005065 OQCBJHWWXZWIQV-HCVBEMKVSA-N 418.490 3.955 5 40 HHBB O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 4713723 VQMDJRMNVGZTDA-UHFFFAOYSA-N 405.432 3.716 5 40 HHBB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409097293 NIDZKNKZDKEVQU-YBEGLDIGSA-N 401.806 3.740 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccccc1 3501530 SUOBJYMPJOUXRH-UHFFFAOYSA-N 401.423 3.743 5 40 HHBB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c([N+](=O)[O-])c1 12525807 FWAIABBACGBILF-UHFFFAOYSA-N 420.443 3.504 5 40 HHBB O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 12771894 OZPWNIIGEVGFMV-UHFFFAOYSA-N 419.503 3.848 5 40 HHBB O=[N+]([O-])c1nn(-c2cccc(C(F)(F)F)c2)[n+]([O-])c1NCc1ccccc1Cl 20177092 VLCMQCTULOCAAL-UHFFFAOYSA-N 413.743 3.698 5 40 HHBB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 25623493 QSHCZLFCOSLKMR-HXUWFJFHSA-N 413.437 3.889 5 40 HHBB CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 4976628 HFILKYCDAXSLFK-LBPRGKRZSA-N 413.459 3.698 5 40 HHBB C[C@@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)C1 33325267 IRSIVZNYIXZEEH-OAHLLOKOSA-N 422.441 3.949 5 40 HHBB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCc1ccccc1[N+](=O)[O-] 7871088 NCVFINAXKUUNIL-UHFFFAOYSA-N 415.450 3.819 5 40 HHBB Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 89669165 UCCMHIHSNRILFW-QFIPXVFZSA-N 405.454 3.861 5 40 HHBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC 408570321 KWXIUXHSDBUMPA-SFHVURJKSA-N 400.460 3.703 5 40 HHBB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 17087549 LNODBZHBPHHBPJ-UHFFFAOYSA-N 406.876 3.914 5 40 HHBB CCC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccccc1 18135107 NCBIPZXJULLCRK-HXUWFJFHSA-N 424.501 3.535 5 40 HHBB CCC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccccc1 18135108 NCBIPZXJULLCRK-FQEVSTJZSA-N 424.501 3.535 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1 2711531 NVFOILSIDQYDOR-UHFFFAOYSA-N 411.892 3.542 5 40 HHBB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 2631877 ZECXNJAZPVQZKR-LBPRGKRZSA-N 419.865 3.651 5 40 HHBB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5750770 AGMSNGDWUHUONC-QGZVFWFLSA-N 416.821 3.523 5 40 HHBB COc1ccc(-c2nnc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]2)cc1 12554428 APMUQNHZQFMDGB-UHFFFAOYSA-N 422.445 3.631 5 40 HHBB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)Cn1cnc([N+](=O)[O-])c1 12777150 BTHGHGCIADNZHR-UHFFFAOYSA-N 420.834 3.599 5 40 HHBB COc1ccc(S(=O)(=O)Oc2cccc(Oc3ccccn3)c2)c([N+](=O)[O-])c1 24991782 OBGUMJSPZNLIAY-UHFFFAOYSA-N 402.384 3.558 5 40 HHBB CC(C)CC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39749583 BUSQBPRJFUIYFY-UHFFFAOYSA-N 409.402 3.882 5 40 HHBB O=C(Nc1cccnc1Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 58105622 OZPCLJOXRGRTJM-UHFFFAOYSA-N 420.429 3.531 5 40 HHBB CC1(C)CC(=O)C(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 100926875 AKAPCQRQGHJPED-UHFFFAOYSA-N 413.470 3.827 5 40 HHBB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223781635 SITPQSVJZSQLDT-OAHLLOKOSA-N 417.893 3.734 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 245225617 ZJOUIBDLFHLPAD-TZQYPOLLSA-N 405.520 3.616 5 40 HHBB Cc1nn(Cc2ccccc2Cl)c(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1002312 RSDSYAPEZYCBCS-UHFFFAOYSA-N 420.878 3.911 5 40 HHBB COc1ccc(Cn2c(C(C)C)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1 2445350 GUCKUCAFZBLFNL-UHFFFAOYSA-N 406.438 3.692 5 40 HHBB Cc1ccnc(N(C(=O)c2ccccc2[N+](=O)[O-])C(=O)c2ccccc2[N+](=O)[O-])c1 4047410 FERLVGMJWUXYCQ-UHFFFAOYSA-N 406.354 3.694 5 40 HHBB Cc1ccc(-n2c(C)nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2=S)cc1 12563008 CFPWYAIKAKZGPQ-UHFFFAOYSA-N 424.530 3.708 5 40 HHBB COC(=O)c1cc2ccccc2cc1Oc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 18900156 GUXFRLAAAVFGMO-UHFFFAOYSA-N 401.396 3.730 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1[N+](=O)[O-] 32118879 QVQKSGHUAXJHFB-UHFFFAOYSA-N 416.242 3.743 5 40 HHBB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 218054530 QJDHTVSHLVXDOA-UHFFFAOYSA-N 418.500 3.988 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3164838 JKBVUQKDMFXOKC-UHFFFAOYSA-N 400.372 3.644 5 40 HHBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1cc2c(cc1Cl)OCO2 4832974 OGYQOZXLSHZCRQ-DXNYSGJVSA-N 407.165 3.975 5 40 HHBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C)c1 222715675 SGVPOJMZKDFUKR-QGZVFWFLSA-N 411.502 3.778 5 40 HHBB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 408563486 NJPPLZNJLOTNOD-UHFFFAOYSA-N 401.488 3.949 5 40 HHBB CCCc1ccc(-c2nc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)sc2C)cc1 58138137 MWJBBBOQGRPTIQ-UHFFFAOYSA-N 412.471 3.780 5 40 HHBB C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 58088295 KGRIUMOMQVHSMT-ZDUSSCGKSA-N 400.460 3.566 5 40 HHBB Cn1c(=O)nc2n(-c3ccc(Br)cc3)c3cc(Cl)ccc3cc-2c1=O 2259546 IATYQCOCWDHSRU-UHFFFAOYSA-N 416.662 3.605 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@H]2C1 17986989 POIAQCMMXQUSHM-OALUTQOASA-N 406.394 3.660 5 40 HHBB CC1=C(C)CS(=Nc2ccccc2[N+](=O)[O-])N(S(=O)(=O)c2ccccc2)C1 5002787 GZBHINCFXIKPBD-UHFFFAOYSA-N 405.501 3.984 5 40 HHBB Cc1c(CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cccc1[N+](=O)[O-] 40116358 YUHPARIUBJURJU-GOSISDBHSA-N 418.247 3.633 5 40 HHBB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 4977118 JOZXQFQAQOTXOP-GFCCVEGCSA-N 413.459 3.518 5 40 HHBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 8741606 DKUPHKMYSNNQSX-GUDVDZBRSA-N 421.434 3.707 5 40 HHBB Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 9569527 SIXWASHDGYWTSU-UHFFFAOYSA-N 421.475 3.687 5 40 HHBB COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC 12559094 PMTJAEANGYPFQN-CYBMUJFWSA-N 410.430 3.508 5 40 HHBB CN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 12788863 FOLRFEDHRKEBJM-LJQANCHMSA-N 411.458 3.556 5 40 HHBB CC1CCN(c2ccc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc2[N+](=O)[O-])CC1 13096779 UGCXDWUQXIBQGL-JOCHJYFZSA-N 410.518 3.864 5 40 HHBB CCOc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17089875 GVHZTQKIVNMWMV-UHFFFAOYSA-N 414.487 3.721 5 40 HHBB O=C(O)CCC1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 683321856 DCVDEOAZZOSFGY-UHFFFAOYSA-N 414.408 3.677 5 40 HHBB Cn1c(=O)nc2n(-c3ccc(Br)cc3)c3cccc(Cl)c3cc-2c1=O 2222655 YISFSKSBVWZVNJ-UHFFFAOYSA-N 416.662 3.605 5 40 HHBB CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nc2c(c(=O)c3ccccc3n2C)c1=O 5354533 BPDBTJQNOISFPO-UHFFFAOYSA-N 418.453 3.870 5 40 HHBB CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 9426142 XEGRCWWOGZKODE-UHFFFAOYSA-N 407.423 3.658 5 40 HHBB COc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-] 12941497 AAOUWURAOAXTHS-SFHVURJKSA-N 422.459 3.872 5 40 HHBB Cc1c(NC(=O)N(CCO)Cc2ccccc2Br)cccc1[N+](=O)[O-] 62639924 KXGAVDOZIYMSKJ-UHFFFAOYSA-N 408.252 3.692 5 40 HHBB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1Br 408644337 SPHCPLAUCQTNRI-GFCCVEGCSA-N 418.247 3.657 5 40 HHBB COC(=O)c1cn(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c2ccccc12 5210054 OCUSKUZDGIJMSC-UHFFFAOYSA-N 407.304 3.590 5 40 HHBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)o1 9260168 FIPKQEZFOJZBKX-VGOFMYFVSA-N 422.802 3.864 5 40 HHBB COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc([N+](=O)[O-])o2)cs1 24170466 CWGGPUCWMMUPDR-UHFFFAOYSA-N 417.399 3.695 5 40 HHBB O=C1OC(c2ccco2)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408839383 RLHLEDFFMVSUMO-FOWTUZBSSA-N 404.334 3.752 5 40 HHBB CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])[nH]c2c1 4830391 WWXRWCQSBDTLFO-UHFFFAOYSA-N 402.432 3.609 5 40 HHBB CCO/C=C1\C(=O)N(c2ccc(OCC)cc2[N+](=O)[O-])C(=O)c2cc(OC)ccc21 5591944 PRKBWAALIIJFJO-ATVHPVEESA-N 412.398 3.567 5 40 HHBB O=[N+]([O-])c1ccc(OP(=O)(Oc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 7078028 RFAUSYIMHODMMA-UHFFFAOYSA-N 401.271 3.874 5 40 HHBB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1 12677290 XOKIVCIOGNCXCF-UHFFFAOYSA-N 420.834 3.941 5 40 HHBB COc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1OC 15590126 PIEWNKYFVXMEHQ-UHFFFAOYSA-N 414.458 3.803 5 40 HHBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 24542724 ZFOUCXVJAOKONS-QGZVFWFLSA-N 412.442 3.807 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223921559 RBRXUAQCMPEEHK-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB O=C(N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 889266 BXVXVZJIFVVCCK-JTQLQIEISA-N 414.723 3.857 5 40 HHBB CCNc1ccc(C(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1[N+](=O)[O-] 9506973 FSOIAMJLPOBCCY-UHFFFAOYSA-N 421.837 3.793 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408641667 KYGDRLYDUVDWAL-JTQLQIEISA-N 424.240 3.902 5 40 HHBB O=C(Oc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 24522257 RBBUJUJTFNCNPH-UHFFFAOYSA-N 401.371 3.786 5 40 HHBB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224615731 FTAVCNCTWCUCNM-HNNXBMFYSA-N 417.893 3.733 5 40 HHBB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16004508 ODJXUIVIASMNST-UHFFFAOYSA-N 418.862 3.947 5 40 HHBB O=C(CSc1cc(Cl)ccc1Cl)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 3241431 WNPAUUYXTHQDQY-AWEZNQCLSA-N 401.271 3.844 5 40 HHBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2[N+](=O)[O-])C1 6830396 HKQLCCIMZCZKMP-QGZVFWFLSA-N 424.501 3.920 5 40 HHBB COc1cccc(-c2cn3c(C(=O)Nc4ncc([N+](=O)[O-])s4)csc3n2)c1 11902286 MENBYRVUIFVKBV-UHFFFAOYSA-N 401.429 3.688 5 40 HHBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCCc1ccccc1 21344863 GSRYTDYVHWQOBN-UHFFFAOYSA-N 403.438 3.749 5 40 HHBB Cc1c(I)c(C)c([N+](=O)[O-])c(C)c1I 526059749 GEEVXVZHOHKCFU-UHFFFAOYSA-N 416.984 3.729 5 40 HHBB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2617432 NYZTYZKDYSYPDS-LBPRGKRZSA-N 404.806 3.782 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 17091377 FWCHJUDOPRSVQJ-UHFFFAOYSA-N 418.369 3.773 5 40 HHBB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C[C@@H](C)O1 14121653 WAMBUZJONDQFNZ-GHMZBOCLSA-N 410.883 3.566 5 40 HHBB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4895471 AEHAGJYCIPYBPH-UHFFFAOYSA-N 410.257 3.668 5 40 HHBB COc1ccc(-c2ccc(CN3CCN(Cc4cccnc4)CC3)o2)c([N+](=O)[O-])c1 95468617 PAAOKMIRMGTMAK-UHFFFAOYSA-N 408.458 3.576 5 40 HHBB O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])s1 13749710 MKPFBDPGRKHIDN-NBVRZTHBSA-N 423.498 3.706 5 40 HHBB CC(C)COCCCNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 15142828 XXBDOTQKODDLAX-UHFFFAOYSA-N 413.540 3.634 5 40 HHBB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 17089513 VQTCISUWGBHYSY-UHFFFAOYSA-N 413.411 3.696 5 40 HHBB COc1ccc(-c2noc(-c3cccn4c(=O)c5ccccc5nc34)n2)cc1OC 21730375 JUYJDTZVRFFNPO-UHFFFAOYSA-N 400.394 3.582 5 40 HHBB CCc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 2657089 NRRYKZHIOUEGGU-UHFFFAOYSA-N 417.468 3.699 5 40 HHBB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 6629939 KATXTGJUAKSGBI-UHFFFAOYSA-N 416.503 3.885 5 40 HHBB O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 102724815 LGWZTUBTNDZURN-PWRODBHTSA-N 415.405 3.646 5 40 HHBB Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n(C[C@H]2CCCO2)c1C 24513651 VTIKPPRGUFIFDN-QGZVFWFLSA-N 405.476 3.746 5 40 HHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 101127651 KLSOIPVTUNNHBD-ACRUOGEOSA-N 415.405 3.646 5 40 HHBB CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 31304559 GVFAGNBQNJJYFP-NVXWUHKLSA-N 408.930 3.550 5 40 HHBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1C 59176140 NISJAHWCIOOFFF-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 866307 VEBMVTHBZIXCEC-UHFFFAOYSA-N 400.456 3.984 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310419 RNKXMTKRDFAWGN-IBGZPJMESA-N 411.458 3.840 5 40 HHBB CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 8433617 AGUZECJNOCJFBB-UHFFFAOYSA-N 407.220 3.715 5 40 HHBB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 20625139 GFBRZNZTFRYTKH-UHFFFAOYSA-N 410.352 3.744 5 40 HHBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1OC(F)F 3281698 BGWMLLFRMYNSQQ-UHFFFAOYSA-N 400.721 3.645 5 40 HHBB O=C(NCc1ccccc1)c1ccccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 13147671 WNNIMSYSPBDCSK-UHFFFAOYSA-N 420.421 3.970 5 40 HHBB O=C(/C=C/c1ccc(Br)o1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 6066054 JEZCRVMRXUPNDA-DUXPYHPUSA-N 410.176 3.573 5 40 HHBB Cc1cc2oc(=O)cc(Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2cc1C(C)C 4515833 VSQAPOCBUUKCKC-UHFFFAOYSA-N 405.410 3.891 5 40 HHBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NC1CCCC1 223759876 GEELWTFWUVWBID-GOSISDBHSA-N 423.513 3.922 5 40 HHBB CC(C)(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1[N+](=O)[O-] 12918570 OKDGNRFCZYQPKZ-UHFFFAOYSA-N 417.487 3.585 5 40 HHBB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccc([N+](=O)[O-])cc1 4882554 YDJMSRFLGWXQNE-UHFFFAOYSA-N 407.451 3.787 5 40 HHBB Cc1csc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)n1 4518835 AWZULFJVRFLSEC-UHFFFAOYSA-N 404.425 3.824 5 40 HHBB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 12750165 BXNGOXDMMSWDKD-ZIAGYGMSSA-N 404.492 3.547 5 40 HHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1 17090540 CSTNIEHGLPXFOL-IZZDOVSWSA-N 416.397 3.650 5 40 HHBB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] 21602981 ACDFWUGAILNWSC-UHFFFAOYSA-N 417.487 3.685 5 40 HHBB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 27986960 YAAXSMCKKLIGIZ-CHWSQXEVSA-N 417.849 3.750 5 40 HHBB C[C@@]12CC3CC(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)(C1)C[C@@](C)(C3)C2 100294592 MXNSHYIOGBQANN-HPISXYKUSA-N 413.518 3.910 5 40 HHBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 205767417 ZPZUUYOCOKZDAT-VGOFMYFVSA-N 422.802 3.718 5 40 HHBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1 223886427 UYUMYVJUYZYWTJ-UHFFFAOYSA-N 408.486 3.539 5 40 HHBB COc1ccc(NC(=O)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2C)cc1 4847578 AZOAIICBHAIJDT-UHFFFAOYSA-N 412.427 3.873 5 40 HHBB COC[C@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12550387 AFBDSHDREGUSBY-YVEFUNNKSA-N 422.279 3.662 5 40 HHBB COCCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nc2ccccc21 4484885 AKADSCCIIFLDSF-UHFFFAOYSA-N 400.460 3.630 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Br)c1 409204057 CFSRSCFPRWIAER-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 9707760 NPEGTDZGSADEJI-UHFFFAOYSA-N 417.468 3.764 5 40 HHBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 20154219 KIDMFOVZGZZECT-UHFFFAOYSA-N 416.481 3.775 5 40 HHBB Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 6034335 JSHOKKBTQYMFPA-UHFFFAOYSA-N 400.431 3.779 5 40 HHBB CN(C)c1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 15092634 ZEQRUSKAVCPCSA-UHFFFAOYSA-N 418.497 3.772 5 40 HHBB Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C 48717790 NHRFUASDZWXVIL-UHFFFAOYSA-N 404.488 3.854 5 40 HHBB Cc1cc(C)c(C)c(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 103155239 WFXIMDQQONVABX-UKAVVXHISA-N 422.437 3.979 5 40 HHBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1 409348665 RVZQQKDEEPUYIS-LICLKQGHSA-N 411.439 3.887 5 40 HHBB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 13039278 HXBBOCMAQFCPJM-UHFFFAOYSA-N 414.849 3.927 5 40 HHBB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 25836119 PGRYVUOQGJFYIO-OAHLLOKOSA-N 406.442 3.800 5 40 HHBB COc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 98086937 UBDBLFUABMOFRW-UHFFFAOYSA-N 423.425 3.952 5 40 HHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223090613 GJHYEBNTJXVFOK-HOTGVXAUSA-N 415.465 3.608 5 40 HHBB O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1cc([N+](=O)[O-])ccc1F 2630070 VKPFQGNYAJALMC-BQYQJAHWSA-N 401.375 3.539 5 40 HHBB CCOc1ccc(-n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 4626464 YAGWKPPNCZCKJH-UHFFFAOYSA-N 408.443 3.920 5 40 HHBB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 4681441 VEEXAZFULADACI-UHFFFAOYSA-N 405.410 3.915 5 40 HHBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 13063177 VWICVRREXCNCGM-UHFFFAOYSA-N 423.516 3.600 5 40 HHBB Nc1nc(N2CCCCC2)nc2nc3c(c(-c4ccc([N+](=O)[O-])cc4)c12)C(=O)CCC3 20673565 SMLZHFZHAYRJOR-UHFFFAOYSA-N 418.457 3.692 5 40 HHBB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 25275201 GUXBSSXWRDAFHJ-UHFFFAOYSA-N 400.391 3.689 5 40 HHBB CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCc2ccccc21 29482298 CZYZEZYWRCYDJZ-KRWDZBQOSA-N 404.264 3.915 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc23)CC1 32779532 MVRMWZDRORHJOW-UHFFFAOYSA-N 404.426 3.738 5 40 HHBB C[C@@H]1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2S1 36619772 SHBXNXXBDVWVBH-OAHLLOKOSA-N 413.499 3.963 5 40 HHBB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223517626 ZTKPTVFJXLAETI-GOSISDBHSA-N 411.502 3.513 5 40 HHBB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 409148176 XNEHKRHINXXXLZ-UHFFFAOYSA-N 413.459 3.520 5 40 HHBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccccc1 2249761 IAKGKTFLVDJOCX-KRWDZBQOSA-N 411.465 3.771 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6430278 KORYFEBTICECSS-UHFFFAOYSA-N 402.447 3.692 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 8291432 INNAKDICGSECLE-UHFFFAOYSA-N 411.867 3.531 5 40 HHBB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24752573 RYVGYCRZUZNZEI-MRXNPFEDSA-N 417.462 3.537 5 40 HHBB COCCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc([N+](=O)[O-])ccc21 100872719 VAKQTKWUESIWBM-ZZEZOPTASA-N 414.468 3.608 5 40 HHBB O=C(OCCOC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1ccccc1 7979757 BGGQSCVLTFGQDF-UHFFFAOYSA-N 412.442 3.989 5 40 HHBB Cc1cc(C)n(CCN(C(=O)c2ccc([N+](=O)[O-])o2)c2nc3ccccc3s2)n1 35597606 ZAQIRJXOYKGLCM-UHFFFAOYSA-N 411.443 3.958 5 40 HHBB COc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2n1C 84311135 GXLWLDJVZBJEMT-UHFFFAOYSA-N 409.320 3.866 5 40 HHBB CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 867231 JYCXTDKRQXMBEE-QGZVFWFLSA-N 400.822 3.823 5 40 HHBB O=C(CSc1nnc(-c2cccc(O)c2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 4953172 FXKLAXYEVRQTOC-UHFFFAOYSA-N 406.807 3.735 5 40 HHBB CCN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 6205580 JIDCAMBMJCRBNB-UHFFFAOYSA-N 423.517 3.589 5 40 HHBB Cc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)s1 10822278 VLEXVSVMGHXDDS-UHFFFAOYSA-N 416.484 3.765 5 40 HHBB O=C(O)c1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 1512948 WGQIDRGMWCVFCZ-UHFFFAOYSA-N 404.334 3.886 5 40 HHBB O=[N+]([O-])/C(=C/Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(Cl)cc1 6238625 LYOSLXHTFOTGSH-JYRVWZFOSA-N 407.757 3.715 5 40 HHBB Cc1c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)oc2ccc(Br)cc12 15565716 QTGWVODRFISSFL-OAHLLOKOSA-N 419.231 3.875 5 40 HHBB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn12 57313673 NJEUEYSCXFGHQD-UHFFFAOYSA-N 414.834 3.975 5 40 HHBB Cc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1C(C)C 89587611 WZFPEVAPKMEKBQ-UHFFFAOYSA-N 420.487 3.840 5 40 HHBB COc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1[N+](=O)[O-] 219827614 ZIAUHDZKMJYKHQ-INIZCTEOSA-N 400.431 3.709 5 40 HHBB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 225039399 QQCXCCGKEYKOBX-UHFFFAOYSA-N 412.851 3.640 5 40 HHBB Cc1cc2nnc(SCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])n2c2ccccc12 4843454 GZXUIQHJMKXTHG-UHFFFAOYSA-N 411.418 3.969 5 40 HHBB COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(C)C 8175612 WXIWYLJUNKSIMX-UHFFFAOYSA-N 407.854 3.886 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1C[C@H]1CCCO1 9328946 IGFABWUETBVGNT-BEFAXECRSA-N 424.384 3.565 5 40 HHBB COc1ccc(CCNC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1OC 36627521 NTJJLMVBNCAZAH-UHFFFAOYSA-N 403.434 3.936 5 40 HHBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O 215027515 QWKMLENWQZWGMK-LICLKQGHSA-N 400.412 3.936 5 40 HHBB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 8752812 JGMMZSLIOPZWTJ-LLVKDONJSA-N 413.411 3.608 5 40 HHBB CC[C@@H](C)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 635585 UHUILKIIRLLYKW-QAPCUYQASA-N 424.453 3.887 5 40 HHBB CCCC[S@@](=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 8448376 FINGMKPLHVHTOP-LJAQVGFWSA-N 419.371 3.530 5 40 HHBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)NCCc1ccc(Cl)cc1Cl 14360704 XYIWXOLBNBSDTL-QPJJXVBHSA-N 423.252 3.817 5 40 HHBB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222734177 LGYXRQRLXLPAFI-LBPRGKRZSA-N 424.284 3.607 5 40 HHBB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 17088821 XLMYEMVVHOOVPM-UHFFFAOYSA-N 411.395 3.680 5 40 HHBB CCNC(=O)COc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1OC 6852412 XIHKGSSIXBPYJE-VQHVLOKHSA-N 407.426 3.837 5 40 HHBB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 9491931 OTZMMOJORDIIQX-UHFFFAOYSA-N 416.739 3.991 5 40 HHBB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 9517644 STVZNSHSFRYSJY-UHFFFAOYSA-N 424.417 3.594 5 40 HHBB Cc1ccc(C)c(Oc2ccc(CNC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)cn2)c1 40112493 MPWJVSXWGAOHTF-UHFFFAOYSA-N 409.446 3.529 5 40 HHBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100809791 QJNSCGGWXXUQKS-VMFHFQHDSA-N 419.275 3.925 5 40 HHBB Cc1ccc(C(=O)N2[C@H](C(=O)O)CS[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] 1077539 QQGWSJVHUOYLSA-DOTOQJQBSA-N 406.847 3.898 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 9328944 IGFABWUETBVGNT-KXBFYZLASA-N 424.384 3.565 5 40 HHBB COc1ccc(OC)c(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCS2)c1 27027371 WUAZYDNKZKLZKV-UHFFFAOYSA-N 415.471 3.794 5 40 HHBB COC(=O)CC[C@@]1([N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 72390490 FNRBYCFAKIUMOT-PXNSSMCTSA-N 410.442 3.866 5 40 HHBB COC(=O)CC[C@]1([N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1 72390491 FNRBYCFAKIUMOT-FXAWDEMLSA-N 410.442 3.866 5 40 HHBB COc1cc2nc3ccc(NC(=S)N4CCSCC4)cc3nc2cc1OC 408995298 LWKVSFFKMDTLPY-UHFFFAOYSA-N 400.529 3.546 5 40 HHBB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)c1 4346971 FVCHIONLALBZGR-UHFFFAOYSA-N 417.512 3.856 5 40 HHBB COc1cc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c(C)cc1[N+](=O)[O-] 5357325 VDMUVTWCZIWZFS-UHFFFAOYSA-N 409.398 3.564 5 40 HHBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3cccs3)n2)c1 15675746 OIGGJQFNRXTBMP-KRWDZBQOSA-N 408.443 3.729 5 40 HHBB biogenic,in-vitro CCc1ccc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222533906 DLXMXZZBJYUHKX-GOSISDBHSA-N 419.503 3.649 5 40 HHBB COc1cc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])cc1OC 7779560 AZCSZDBFKOTKMN-HCVBEMKVSA-N 417.458 3.943 5 40 HHBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)n2c(C)ccc2C)cc1 8475576 LQPHGDGVNRMNKO-UHFFFAOYSA-N 407.426 3.683 5 40 HHBB COc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-] 12941504 AAOUWURAOAXTHS-GOSISDBHSA-N 422.459 3.872 5 40 HHBB COc1cc2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611801 ZZEYGJMKMYLTKS-UHFFFAOYSA-N 407.426 3.846 5 40 HHBB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225093034 SUCPDFUKBNRLID-UHFFFAOYSA-N 414.867 3.789 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(SCc2ccccc2)s1 225556466 CNKWNXQDYVGMNM-UHFFFAOYSA-N 408.486 3.539 5 40 HHBB NS(=O)(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C2CC2)c([N+](=O)[O-])c1 12506097 BLRNCOVBTXEVBE-UHFFFAOYSA-N 416.484 3.592 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCCCC1 14399774 VEKLSTOXIISTPJ-UHFFFAOYSA-N 417.487 3.767 5 40 HHBB Cc1cc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] 21481651 MDHFLVPAHFAHKS-INIZCTEOSA-N 423.347 3.588 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F 25509905 YBGOGZITMHUTIW-UHFFFAOYSA-N 408.329 3.784 5 40 HHBB CC(C)NC(=O)c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 48277538 CZOAEKCTXXAJPR-QGZVFWFLSA-N 411.458 3.846 5 40 HHBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 205677969 WLIJZCBRFZTEFR-CXUHLZMHSA-N 416.411 3.763 5 40 HHBB COc1cc(OC)c([N+](=O)[O-])cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260753058 BBEXCTUEDSFGBB-CNOZUTPLSA-N 400.460 3.596 5 40 HHBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1Cl 20792741 GKKIAEWSCJBMBK-UHFFFAOYSA-N 408.838 3.609 5 40 HHBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)ccc1OC 2428962 GPIARLNKKPAQMA-UHFFFAOYSA-N 415.453 3.711 5 40 HHBB COc1cccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 218126844 UWCALCWRQZUFCG-UHFFFAOYSA-N 402.794 3.579 5 40 HHBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)c(F)c1F 17090998 ZPJLOIWBLDAUIL-UHFFFAOYSA-N 417.340 3.595 5 40 HHBB C[C@H](Sc1ccc(NC(=O)CCC(=O)O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 17091036 BKWRZKSMHBLUCC-LBPRGKRZSA-N 417.443 3.517 5 40 HHBB Cc1ccc(C)c(NCc2n[nH]c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1 6195996 MGMUPGQGZZHZCU-UHFFFAOYSA-N 412.475 3.673 5 40 HHBB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1[N+](=O)[O-] 8320142 FBKNLIWJMNTHGF-LLVKDONJSA-N 408.443 3.842 5 40 HHBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1Nc1ccc(Cl)cc1 3044982 SBCXBWFASPSGNS-UHFFFAOYSA-N 412.745 3.933 5 40 HHBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 43732399 ZXABMUGOSSOPLJ-LQNXUBFPSA-N 417.421 3.564 5 40 HHBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 48355556 GJANBYUYIKIQIC-ZDUSSCGKSA-N 400.435 3.717 5 40 HHBB CCCCNC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 5309179 KXPMSCTYDCYAII-QGOAFFKASA-N 401.850 3.935 5 40 HHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 409182384 KVESHUVBTQYSTI-LICLKQGHSA-N 411.439 3.887 5 40 HHBB CCn1c(COc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409384981 GVDBYSWRZMMOOH-UHFFFAOYSA-N 401.404 3.845 5 40 HHBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2418248 HLCYVIPGAUROIJ-INIZCTEOSA-N 405.502 3.828 5 40 HHBB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)sc(C)c1C 3303619 SXRJWCMCRPICKC-UHFFFAOYSA-N 420.443 3.554 5 40 HHBB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1cc([N+](=O)[O-])ccc1F 3510014 TXITZMJWRNJRHK-UHFFFAOYSA-N 423.400 3.956 5 40 HHBB CC(=O)c1ccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cc1 5107882 UODIBDHFOSFLLX-UHFFFAOYSA-N 408.439 3.985 5 40 HHBB O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl 5559499 KXWVRAUXFPTSIK-UHFFFAOYSA-N 404.593 3.746 5 40 HHBB CCCCNC(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 6558329 QSFFUCIHKUSFKR-UHFFFAOYSA-N 409.489 3.584 5 40 HHBB Cc1nnc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 9166876 FNPAEPZGZQKIMC-MRVPVSSYSA-N 407.502 3.998 5 40 HHBB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 226353946 XXUDRENCOWTAHL-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409131874 YTZJCBLHSYTVIS-LDADJPATSA-N 414.439 3.857 5 40 HHBB Cc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 725170 BVEYOAAXDNQFMO-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB Cc1c([C@H](C)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 40068539 UEGAEWMPODBLJK-ZDUSSCGKSA-N 411.437 3.785 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](c2ccc(Cl)cc2)C1 40154729 AVZSGVNSKZGRFL-IBGZPJMESA-N 419.865 3.659 5 40 HHBB Cc1ccc(C)c(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 103155257 CZYFRFJXXXEKSW-LFGUQSLTSA-N 408.410 3.671 5 40 HHBB COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)c1 505489023 YNBOISYQZGJGSQ-INIZCTEOSA-N 424.501 3.697 5 40 HHBB O=C(Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 3090069 PLIVSMZTSXKRKL-UHFFFAOYSA-N 407.338 3.975 5 40 HHBB COc1ccc([C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N2CCCC2)cc1 3444762 NLKZUEONFBXNSD-IBGZPJMESA-N 415.515 3.892 5 40 HHBB CC(=O)OCCC/C(=C\c1ccc(/C=C(\CCCOC(C)=O)[N+](=O)[O-])cc1)[N+](=O)[O-] 4994648 NWFGYTLLZITUFS-IWGRKNQJSA-N 420.418 3.608 5 40 HHBB COc1c(Cl)cc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1Cl 17090205 PHAKJEPKRCQNSC-UHFFFAOYSA-N 415.258 3.542 5 40 HHBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccsc2)c(S(=O)(=O)N2CCCC2)c1 48234407 XBVWZSLCTIELAV-INIZCTEOSA-N 407.517 3.782 5 40 HHBB COc1ccc(-c2nnc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)s2)cc1 223266465 CJUJHSWGLCIQFN-UHFFFAOYSA-N 416.484 3.994 5 40 HHBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1 408569941 KIBILLKBAXXZIR-SFHVURJKSA-N 400.460 3.703 5 40 HHBB O=C(c1ccccc1Cl)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 871868 ZCMAEIXVRLDSBR-UHFFFAOYSA-N 402.863 3.820 5 40 HHBB Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 8417232 AVYCKTQTBXVSDT-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(F)cc2)NC(=S)N1C 21186886 ZYDRPNWPGVPQKE-KRWDZBQOSA-N 400.435 3.508 5 40 HHBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4902228 OQDUFDIENBCIIE-UHFFFAOYSA-N 411.336 3.582 5 40 HHBB COc1ccc(NC(=S)Sc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])cc1 16217141 TXHTUIKIJPWUBD-UHFFFAOYSA-N 409.401 3.699 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ncnc3ccsc23)CC1 28624711 DMGHQWPRTKGBPT-UHFFFAOYSA-N 409.393 3.945 5 40 HHBB Cc1nn(CCCC(=O)Nc2c(F)cc(F)cc2Br)c(C)c1[N+](=O)[O-] 8661236 IQEOBNYKHWMQLQ-UHFFFAOYSA-N 417.210 3.868 5 40 HHBB Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc12 4138401 IYYIMGRXRFJKOD-UHFFFAOYSA-N 408.443 3.602 5 40 HHBB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20142728 NDFCKMLMUKGPPK-UHFFFAOYSA-N 419.821 3.808 5 40 HHBB Cc1nnnn1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 40134134 FLRWYKJPCHBITA-UHFFFAOYSA-N 416.397 3.924 5 40 HHBB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 40141010 DBBGYDUQTDLBMA-STQMWFEESA-N 423.516 3.860 5 40 HHBB COc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 89473751 VDDYXWWMHQLUBB-UHFFFAOYSA-N 419.503 3.780 5 40 HHBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccc[nH]2)c([N+](=O)[O-])c1 95460496 KDFCDDXPLYGJGU-UHFFFAOYSA-N 414.487 3.793 5 40 HHBB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 217874647 KVLLBMFNFGYNBR-UHFFFAOYSA-N 402.794 3.579 5 40 HHBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 223637343 KFNLUGQQQXLCFT-VQTJNVASSA-N 424.482 3.605 5 40 HHBB CC(C)CC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9062423 MOZSRNLWLHUYBR-UHFFFAOYSA-N 409.402 3.882 5 40 HHBB CC(C)[C@H](N[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 11092891 CTHJEBZTTPVVFO-XCLFUZPHSA-N 417.437 3.819 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 12493915 DGCNECFJFXMLQW-UHFFFAOYSA-N 420.454 3.763 5 40 HHBB COCCOC(=O)c1c(C)nc(C)c(C(=O)OC(C)C)c1-c1cccc([N+](=O)[O-])c1 32175262 SJJUCKCPGPCJQM-UHFFFAOYSA-N 416.430 3.642 5 40 HHBB in-vitro CSc1nnc(CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1C1CCCC1 39982744 VWAXELJNNRAGBG-UHFFFAOYSA-N 406.468 3.976 5 40 HHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC 4977119 NLKMUOMFUBQVSF-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1Cc1ccccc1 2653720 KFDOQMGCFXKHBU-UHFFFAOYSA-N 414.421 3.534 5 40 HHBB C[C@H]1CN([C@H](C)CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 105721661 GBSUAXYGOLFQOM-ZACQAIPSSA-N 412.490 3.566 5 40 HHBB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 10045129 UVTJMHMIRBYEJC-UHFFFAOYSA-N 423.425 3.981 5 40 HHBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC(C)(C)OC2 2260664 QTCXJTYGHMGCTK-UHFFFAOYSA-N 404.444 3.937 5 40 HHBB Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2F)c1 96013508 ZBPNVONMXQWNHO-UHFFFAOYSA-N 410.814 3.682 5 40 HHBB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccccc1[N+](=O)[O-] 12249581 BFPHUSCAGJMMOX-UHFFFAOYSA-N 420.834 3.941 5 40 HHBB O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc2ccccc12 1056426 RQULSCORDFWFIS-UHFFFAOYSA-N 403.394 3.763 5 40 HHBB O=[N+]([O-])c1cccnc1Sc1nnc(CN2CCCC2)n1-c1ccc(Cl)cc1 6847752 SFTQQZYAYYJFSB-UHFFFAOYSA-N 416.894 3.971 5 40 HHBB CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 8683399 RCVHDOCJQYSEPU-MRXNPFEDSA-N 415.431 3.604 5 40 HHBB aggregator O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 8717183 UNAXJQGIXIBOKX-UHFFFAOYSA-N 416.389 3.653 5 40 HHBB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 9707719 XLPAOIQCHLTHSS-UHFFFAOYSA-N 417.468 3.764 5 40 HHBB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 33736831 KRISFEFUUUKART-AWEZNQCLSA-N 411.487 3.815 5 40 HHBB O=c1c2cc3c(=O)n(Cc4cccc(F)c4)ccc3nc2ccn1Cc1ccccc1 40398772 QCIJYRWWFIPDJP-UHFFFAOYSA-N 411.436 3.947 5 40 HHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)c1ccccc1 409370671 DDMMGMMVBNNBIT-FHQLIMNDSA-N 416.433 3.999 5 40 HHBB Cc1cnc(NC(=O)c2cccc(Cn3cc(Br)c([N+](=O)[O-])n3)c2)s1 2763482 YWBWZSORNYIAQW-UHFFFAOYSA-N 422.264 3.619 5 40 HHBB COc1cc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc(OC)c1 5347058 JVWVHSXPVUEWRQ-UHFFFAOYSA-N 405.406 3.981 5 40 HHBB CCn1c(CC(=O)Nc2ccccc2F)nnc1SCc1ccccc1[N+](=O)[O-] 7871078 IEKTUONEVGJFRW-UHFFFAOYSA-N 415.450 3.819 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1 9879428 ZTSDYPWKKRDOTA-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCc2sccc2[C@H]1c1ccccc1 12888859 RNJHAUHYXXSWAF-HXUWFJFHSA-N 419.462 3.858 5 40 HHBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1ccsc1 39981848 TYIBRHYNRVLVPV-INIZCTEOSA-N 409.895 3.723 5 40 HHBB CCOC(=O)c1s/c(=N/C(=O)c2cc3c(ccc4ccccc43)oc2=O)n(C)c1C 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NAHMDZKFQIBRRC-WZUFQYTHSA-N 403.316 3.973 5 40 HHBB C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 21134208 NQSXXGBNVTYTJR-ZIAGYGMSSA-N 400.456 3.596 5 40 HHBB N=c1c2sc3nc4ccccc4n3c2ncn1NC(=O)Nc1cccc(Cl)c1 4649541 OVOSWEZSSRNTIR-UHFFFAOYSA-N 409.862 3.807 5 40 HHBB O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 13634294 MQFHFRQGYVRIKK-CYBMUJFWSA-N 421.438 3.831 5 40 HHBB Cc1nccc(-c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccc(Cl)cc3)c2)n1 1382373 MNWFULODXZMRLB-UHFFFAOYSA-N 403.847 3.988 5 40 HHBB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)no1 5267051 XQKHHVGOVBNIAJ-SFHVURJKSA-N 403.350 3.747 5 40 HHBB COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl 6953618 DECZRKNFBJMNEP-UHFFFAOYSA-N 410.257 3.873 5 40 HHBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCCC1 7881145 DNLRQYGEIHWZJU-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)Sc2c1nc(CC)n2C(=O)CC 16777680 DCIPDCXSMLOVDA-UHFFFAOYSA-N 401.448 3.614 5 40 HHBB S=C(Nc1cc2cccnc2c2ncccc12)N1CCN(c2ccccn2)CC1 33759087 VTMLRQNIELAGJI-UHFFFAOYSA-N 400.511 3.697 5 40 HHBB C[N+](C)(Cc1ccccc1)C[C@H](O)COc1c(F)cc(Br)cc1F 41690063 WACHYYLCXKLDSI-HNNXBMFYSA-N 401.271 3.744 5 40 HHBB CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 72277136 IBPZEKDCRAUTCV-ROUUACIJSA-N 403.504 3.666 5 40 HHBB O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC=C(c2ccnc3[nH]ccc23)CC1 95464868 RKTLBCCFKRXFLF-UHFFFAOYSA-N 403.442 3.975 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409412309 HVYZFPPZJXCUKB-UHFFFAOYSA-N 414.157 3.605 5 40 HHBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 32112002 RCROOWLLYADHQN-UHFFFAOYSA-N 420.878 3.970 5 40 HHBB CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4769367 UZPSMBZFUIFADV-UHFFFAOYSA-N 400.435 3.737 5 40 HHBB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 5007298 OCZIDWLWVCBEHR-UHFFFAOYSA-N 413.459 3.532 5 40 HHBB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 6104125 ORJAXTJGNAEPGO-HNNXBMFYSA-N 418.471 3.515 5 40 HHBB COc1ccc(Oc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])cn1 1651277526 JOJKXTBSMPCWRN-UHFFFAOYSA-N 421.475 3.648 5 40 HHBB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2617151 SBMIYQJVHSTILC-UHFFFAOYSA-N 404.227 3.662 5 40 HHBB O=C(Nc1ccc(CN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 20064177 LJTMABKMIPFULI-UHFFFAOYSA-N 409.486 3.878 5 40 HHBB CN(C)S(=O)(=O)c1ccc(Sc2ccccc2Br)c([N+](=O)[O-])c1 21984042 SCMIXPFRSWCHNT-UHFFFAOYSA-N 417.306 3.759 5 40 HHBB CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] 78967968 YORVXQDJBGOWDH-LBPRGKRZSA-N 400.273 3.851 5 40 HHBB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1cccc([N+](=O)[O-])c1 408666341 YSEJVNOOXOGWNA-UHFFFAOYSA-N 421.409 3.649 5 40 HHBB C[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6648310 DUWHQYHYOODPNX-CYBMUJFWSA-N 404.854 3.524 5 40 HHBB COc1ccc(OC)c(C(=O)c2c(C)oc3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c23)c1 9034178 LBSNZYDMXQUHGP-UHFFFAOYSA-N 402.315 3.511 5 40 HHBB COc1cc(/C=C2/N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC2=O)ccc1OC(F)F 23844776 OUKMMEIGBAJHRR-KPKJPENVSA-N 420.324 3.558 5 40 HHBB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 4555230 YGWVHBXGFYQFQC-DEOSSOPVSA-N 416.433 3.911 5 40 HHBB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1 10335529 SAZUWSVWDLDAAV-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10901944 NLZUXXZPDKRTBL-UHFFFAOYSA-N 400.822 3.715 5 40 HHBB CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1 33625059 WZPNXYKPLCQWRC-UHFFFAOYSA-N 415.450 3.568 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 45354849 NQSFOSUYVZUFEG-GFCCVEGCSA-N 407.348 3.914 5 40 HHBB O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 1917861 IRDAYROQLCLJCD-UHFFFAOYSA-N 416.389 3.653 5 40 HHBB COc1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 6545817 JEBBTHCFGLUZSN-UHFFFAOYSA-N 406.460 3.960 5 40 HHBB Cc1cc(N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14386456 FNQOPDCZTJJATE-UHFFFAOYSA-N 410.474 3.592 5 40 HHBB Cc1cc(C)n(CCCNc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])n1 16050759 MPFBEUJIUQMECD-UHFFFAOYSA-N 422.441 3.840 5 40 HHBB CSc1ccccc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 100863181 DSQOUHGKDHUNHE-RCRDTURJSA-N 413.503 3.842 5 40 HHBB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223241379 UOCLRQJMGLGQCU-INIZCTEOSA-N 415.465 3.610 5 40 HHBB O=C(NC(=S)Nc1ccccc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408625292 XHEWSIJJQFGVNW-UHFFFAOYSA-N 402.451 3.851 5 40 HHBB COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1[N+](=O)[O-] 1848672 OUZUBCFFVAMLHI-SDQBBNPISA-N 403.734 3.510 5 40 HHBB COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)c(OC)c1OC 2058382 LCZRJAZPKWWXFC-ZSOIEALJSA-N 418.789 3.619 5 40 HHBB CCN1C[C@H](CN(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)Oc2ccccc21 9933172 CHEMWPAOJZZSSB-HNNXBMFYSA-N 401.488 3.676 5 40 HHBB CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 10265587 WONZOXBJVUZZQZ-UHFFFAOYSA-N 423.446 3.675 5 40 HHBB Cc1c(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 10336074 ALIVITZCALTBTN-UHFFFAOYSA-N 419.503 3.605 5 40 HHBB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10648746 LQVPLHMIUZABCU-QMMMGPOBSA-N 401.370 3.659 5 40 HHBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C)CC3)c(O)n2n1 22853322 KZXPZDYKJFVUFB-MRXNPFEDSA-N 401.492 3.788 5 40 HHBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 24487552 BBKVTSJZTSFOLQ-UHFFFAOYSA-N 422.488 3.999 5 40 HHBB Cn1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(-c2ccncc2)n1 72306422 LVAZVBDHTWBGLY-UHFFFAOYSA-N 409.449 3.589 5 40 HHBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 138960111 HBJVSXPHSBFXEF-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 224761307 SIKMJUKHBCOIRD-UHFFFAOYSA-N 412.851 3.640 5 40 HHBB COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408576135 XJSJSVXDFPZFNV-SFHVURJKSA-N 412.471 3.781 5 40 HHBB CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C 1903813 VZJSXEQNGMKKHK-UHFFFAOYSA-N 406.416 3.570 5 40 HHBB NC(=O)[C@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@H]1c1ccccc1[N+](=O)[O-] 39356295 KPVCUXKOJPSNDL-MAUKXSAKSA-N 401.831 3.824 5 40 HHBB CC(=O)Oc1cn(-c2ccc3c(c2)OCO3)c2nc(C)n3c4ccccc4nc3c12 101228555 CDQRPMKZGFXYTP-UHFFFAOYSA-N 400.394 3.789 5 40 HHBB CCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 106742573 HRPRUYPDDFNJOC-WCIBSUBMSA-N 405.215 3.501 5 40 HHBB CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 943619 MRKAIHUHIIBOKG-GFCCVEGCSA-N 418.471 3.975 5 40 HHBB O=c1c2c3nc4ccccc4nc3n(C[C@@H]3CCCO3)c2ncn1Cc1cccs1 5030627 NNKLBCAHMPXLRV-AWEZNQCLSA-N 417.494 3.583 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12767811 WQEZSNJOMKOPKQ-UHFFFAOYSA-N 406.442 3.982 5 40 HHBB COc1ccc(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)c(OC)c1 20492256 MBZINDSENODABE-UHFFFAOYSA-N 420.381 3.916 5 40 HHBB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc([N+](=O)[O-])cc1Br 107549336 FYOHVMXQEGLVRU-SDDRHHMPSA-N 411.252 3.665 5 40 HHBB CC(C)(C)NS(=O)(=O)c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 12918644 SKIFSMSFPUHUCH-UHFFFAOYSA-N 407.473 3.964 5 40 HHBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccc([N+](=O)[O-])cc1 4880094 DMSQMHDYNOFTJT-PKNBQFBNSA-N 404.338 3.966 5 40 HHBB C[C@H]1CN(C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 40135258 DVNPVGXNKBKSGO-HDICACEKSA-N 423.513 3.904 5 40 HHBB CCOc1c(Br)cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1OC 16688090 ODKRBMFAOMDQGR-UHFFFAOYSA-N 424.295 3.966 5 40 HHBB CCN(CC)C(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F 32719164 PCKXBWZSDQQVKJ-UHFFFAOYSA-N 419.478 3.826 5 40 HHBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2-c1cccc(F)c1 2303386 WPWJBUDNMFUVHQ-UHFFFAOYSA-N 417.444 3.632 5 40 HHBB Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc([N+](=O)[O-])s3)s2)cc1 9579960 CQMZXQLGNUBPBQ-UHFFFAOYSA-N 408.490 3.686 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2ccccc2)s1 9717028 BMPIDCBOHYXDHZ-UHFFFAOYSA-N 417.472 3.929 5 40 HHBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220571164 LETOXNVQROUGBO-LJQANCHMSA-N 419.503 3.703 5 40 HHBB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 11689764 XQRWJVSSKRGYGC-UHFFFAOYSA-N 403.394 3.969 5 40 HHBB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 5548120 AONQYTHLUJEJMC-NFJKTXFASA-N 410.429 3.780 5 40 HHBB CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 17088165 XRZAAAXNXNCIGH-UHFFFAOYSA-N 409.273 3.906 5 40 HHBB COc1cccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 19927434 AEVYJLWGWUGZND-UHFFFAOYSA-N 401.400 3.540 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1[N+](=O)[O-] 4149958 IAUBUKGZDDAAIO-UHFFFAOYSA-N 400.412 3.969 5 40 HHBB COc1ccc(-n2cnnc2SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 5637749 AOEXEUOIZCUFBS-UHFFFAOYSA-N 413.459 3.532 5 40 HHBB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 10541712 DSRNWGKWWVMYJG-UHFFFAOYSA-N 407.474 3.824 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@H](C)CC3(C)C)cc2)cc1[N+](=O)[O-] 48312048 NWKGLSGPSGJWJK-CQSZACIVSA-N 417.487 3.717 5 40 HHBB CCOCCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc([N+](=O)[O-])ccc21 100873551 IUSKVSNRSUFKIB-MRCUWXFGSA-N 415.471 3.544 5 40 HHBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222686929 KLHPKWYBBOXAFT-LBPRGKRZSA-N 424.284 3.607 5 40 HHBB CCOCCCNC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 24735348 SBICJPWOIVHLLO-UHFFFAOYSA-N 402.472 3.704 5 40 HHBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 2080084 DZJYFFUHZVVAQS-SECBINFHSA-N 419.415 3.728 5 40 HHBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 48355557 GJANBYUYIKIQIC-CYBMUJFWSA-N 400.435 3.717 5 40 HHBB C[C@H]1c2ccsc2CCN1c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 12536569 BKQVGTTYAULIDN-LBPRGKRZSA-N 409.533 3.857 5 40 HHBB CS(=O)(=O)c1ccccc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 24831950 NDOAKQZRFCRDQO-UHFFFAOYSA-N 417.487 3.631 5 40 HHBB COc1cc(C(=O)NCC(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])c(OC)c1OC 59827425 ZEFPPDQGUUPHRZ-UHFFFAOYSA-N 422.865 3.982 5 40 HHBB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 8417586 XEKMIFJVGOZIRX-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB CSc1ncccc1C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] 14376353 NAHWBKOEUIHVOT-HNNXBMFYSA-N 403.460 3.525 5 40 HHBB COc1ccc2c(COC(=O)CCCNc3ccccc3[N+](=O)[O-])cc(=O)oc2c1 7372266 QSZXJZGBTVXJCR-UHFFFAOYSA-N 412.398 3.645 5 40 HHBB Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc2ccccc2o1 9328490 UZWSDIKRYFNDPE-UHFFFAOYSA-N 409.427 3.867 5 40 HHBB COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409144782 PWNDPRAZGWEFJA-LDADJPATSA-N 414.439 3.857 5 40 HHBB CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 36543631 ZXABMUGOSSOPLJ-LERMDLETSA-N 417.421 3.564 5 40 HHBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)c1 33733888 FJHCJTSCXZWJNM-UHFFFAOYSA-N 404.872 3.599 5 40 HHBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C 224114261 GSISTEQIKYTDIW-SFHVURJKSA-N 411.502 3.635 5 40 HHBB Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)c1 17135512 FYDUELSABOIFJO-UHFFFAOYSA-N 424.482 3.633 5 40 HHBB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1133437 GNWMUIFRBHOLAT-UHFFFAOYSA-N 405.813 3.878 5 40 HHBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 8475231 KNCSAPXQFIIWFU-HHXXYDBFSA-N 421.453 3.573 5 40 HHBB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 9892058 PJVIVMURBPLGCQ-UHFFFAOYSA-N 418.431 3.633 5 40 HHBB CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2c1 20411848 OZUCBXAHFDULPX-UHFFFAOYSA-N 415.427 3.787 5 40 HHBB O=C(c1ccccc1)c1ccc(NC[C@@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 58162677 VDHBOXBLCGIUKP-UGKGYDQZSA-N 409.486 3.739 5 40 HHBB CCOc1ccc2[nH]c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc3c2c1 5249682 DPIAVDJGGCSEOF-UHFFFAOYSA-N 418.457 3.745 5 40 HHBB COc1ccc(Cn2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)cc1 40398809 RRUFXYDLFWMRBZ-UHFFFAOYSA-N 401.466 3.883 5 40 HHBB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10732080 NMLCJFVSLLGXDR-UHFFFAOYSA-N 400.822 3.853 5 40 HHBB COc1ccc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 4457584 KZYXFWTYAIBGRU-RUDMXATFSA-N 401.850 3.619 5 40 HHBB Cc1ccc(C2=NN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)[C@H](c3ccco3)C2)cc1 4548897 RPHYMJOEHFABMZ-SFHVURJKSA-N 407.430 3.687 5 40 HHBB CCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1CC 20034304 LPVUVPSLUYCBLZ-UHFFFAOYSA-N 404.279 3.806 5 40 HHBB CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 11092882 CTHJEBZTTPVVFO-RBZFPXEDSA-N 417.437 3.819 5 40 HHBB CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c1 16197016 AYLOYUYTZBNWSP-SFHVURJKSA-N 400.456 3.837 5 40 HHBB CCc1nn2c(=O)cc(CNc3cc([N+](=O)[O-])ccc3Nc3ccccc3)nc2s1 30497155 MZTYPXZHTMESSA-UHFFFAOYSA-N 422.470 3.977 5 40 HHBB Cn1cnnc1S[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 3431659 LUWADQMYHKDNFE-OAHLLOKOSA-N 403.851 3.849 5 40 HHBB COc1ccccc1Nc1nc(NCc2ccc(Cl)cc2)nc(N)c1[N+](=O)[O-] 5100073 SMLVNDVAYCRJSZ-UHFFFAOYSA-N 400.826 3.985 5 40 HHBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccc(Cl)cc2)c1 38754628 FCYJZNKAJBMNMV-UHFFFAOYSA-N 400.909 3.601 5 40 HHBB O=C(CN1CCCCC1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 35324100 FMDVSHITXHEWIO-UHFFFAOYSA-N 421.089 3.544 5 40 HHBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 2478064 JYYQLROZQSGCPH-MRXNPFEDSA-N 405.391 3.908 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269491 IHISPEIQZBXCDN-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB Cc1ccc(C2=NN(C(=O)COc3cccnc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 5971337 ISXBSKBKCGXKKM-QGZVFWFLSA-N 406.398 3.648 5 40 HHBB COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 6470148 CANBAIBIJQUINT-UHFFFAOYSA-N 412.423 3.689 5 40 HHBB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 9402884 AWIGLOAJIXVDNX-INIZCTEOSA-N 420.347 3.880 5 40 HHBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 21596048 IAQADGFQWJECQB-UHFFFAOYSA-N 424.438 3.875 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 58161745 VEKGSQZLJLIFBP-GQIGUUNPSA-N 409.486 3.961 5 40 HHBB CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 248382037 VSFJRMLOGUIBII-ZSYWTGECSA-N 414.259 3.540 5 40 HHBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCC2(CC1)OCCO2 24997529 YNPYZTGSIIEDJJ-SOFGYWHQSA-N 400.456 3.702 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 20051099 QLOTUVSEGBTKRU-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c[nH]nc1-c1ccccc1 8710132 FRTOGOJMRGCLFN-UHFFFAOYSA-N 419.363 3.846 5 40 HHBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 9613491 IACFLKLPUKOFDP-UHFFFAOYSA-N 418.452 3.814 5 40 HHBB COc1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)cc1[N+](=O)[O-] 16085648 LOGAHUJYTWFXIK-UHFFFAOYSA-N 413.498 3.850 5 40 HHBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2C[C@H]1CCCO1 5065918 DNAPSMQATTVTHP-MRXNPFEDSA-N 403.486 3.897 5 40 HHBB O=C(CSc1ncccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 58407048 SEZAHSJAANRXTQ-OAHLLOKOSA-N 415.471 3.607 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O 408687835 VGJUIXKUEQGVTD-UHFFFAOYSA-N 422.224 3.608 5 40 HHBB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n21 4168145 BIFSOTONAHUTSG-UHFFFAOYSA-N 409.471 3.875 5 40 HHBB COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 59200301 VMIVFHYIBFJKRI-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2CCC(C)C 2256145 RHXVTJOUNZJDLG-INIZCTEOSA-N 405.502 3.828 5 40 HHBB CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 12554106 OAWBIJKIIQMAJN-RYUDHWBXSA-N 409.430 3.815 5 40 HHBB CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)Sc2c1nc(-c1ccccc1)n2C(C)=O 16777537 GHOYBTWGHJWVHQ-UHFFFAOYSA-N 421.438 3.939 5 40 HHBB CCN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCSc2ccc(Br)cc21 72270997 FOWXHNKJFHUIPJ-NSHDSACASA-N 410.297 3.793 5 40 HHBB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 110570535 VEKGSQZLJLIFBP-YRNRMSPPSA-N 409.486 3.961 5 40 HHBB O=C(NCCCn1cnc2ccccc21)c1ccc(Br)c([N+](=O)[O-])c1 8136470 YGPSCWILONKHSZ-UHFFFAOYSA-N 403.236 3.527 5 40 HHBB COC(=O)c1cc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 12621270 UXZVPYZIYQWULY-XWIAVFTESA-N 421.446 3.542 5 40 HHBB CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 72289529 QZVAKSJGEILCPM-KRWDZBQOSA-N 424.461 3.962 5 40 HHBB COc1cc(/C=C/C(=O)N2CCc3sccc3C2)c([N+](=O)[O-])cc1OC(F)F 10924691 QCGXSDYZDSWPPC-NSCUHMNNSA-N 410.398 3.864 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(OCCOc2c(C)cccc2C)c([N+](=O)[O-])c1 6628268 VRIXMDFXIVFOAW-UHFFFAOYSA-N 422.503 3.700 5 40 HHBB CC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)s1 95467701 GXHAUUPEHMEQSJ-CHWSQXEVSA-N 417.487 3.720 5 40 HHBB CC[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)Nc1nccs1 9971599 UXTZFAFGGVEWBT-CYBMUJFWSA-N 418.504 3.839 5 40 HHBB O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1 409244861 JRVHFODKBODHOU-XDHOZWIPSA-N 416.393 3.875 5 40 HHBB CN1CCC(Oc2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)CC1 216929144 DFWQWRZVBSNZCP-UHFFFAOYSA-N 415.515 3.940 5 40 HHBB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 40115874 WYTGWAZWQBAHCD-MOPGFXCFSA-N 410.861 3.816 5 40 HHBB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 851580 VLJNMQCYOWASTJ-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cc1OC 32803163 FRAAPVYIWUJENB-NRFANRHFSA-N 414.458 3.588 5 40 HHBB COc1ccc(Br)cc1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C 16591899 IPFWCJNPYZFQKZ-UHFFFAOYSA-N 422.279 3.745 5 40 HHBB COc1cccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c1 8177816 DWSGFHWYNGPDCA-UHFFFAOYSA-N 406.460 3.960 5 40 HHBB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c1 408533420 QWIROKITFLRSQO-UHFFFAOYSA-N 415.789 3.942 5 40 HHBB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 17089740 OPRFBQYZEZLZTR-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1F 4892863 NXWCZTAGNCMYJY-ZRDDSIGQSA-N 414.392 3.611 5 40 HHBB O=C(CN1C(=O)c2ccccc2O[C@@H](c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 9409543 MXUAKVIWFOOOEF-NRFANRHFSA-N 416.389 3.580 5 40 HHBB COc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] 219825882 AALJJQJKBRVCOB-UHFFFAOYSA-N 406.394 3.852 5 40 HHBB CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533776 YUYJIFFVACDEFZ-SFHVURJKSA-N 419.503 3.703 5 40 HHBB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224615687 FTAVCNCTWCUCNM-OAHLLOKOSA-N 417.893 3.733 5 40 HHBB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223097416 KVYJKGXRYCXWKJ-QGZVFWFLSA-N 411.502 3.512 5 40 HHBB CCCCCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O 605707474 DAECYOJSYCGTFP-XFVROCCTSA-N 411.610 3.650 5 40 HHBB COc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1Br 1041622 DRYJGHWTNVMWTD-ZSOIEALJSA-N 403.188 3.710 5 40 HHBB COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(Cl)cc1 2307558 MAYBQYPGMMSKAR-UHFFFAOYSA-N 419.872 3.643 5 40 HHBB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10648747 LQVPLHMIUZABCU-MRVPVSSYSA-N 401.370 3.659 5 40 HHBB C[C@H](Sc1nnc(N2CCCCC2)n1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 11379417 SBOIBRFAJHNCPK-ZDUSSCGKSA-N 416.507 3.631 5 40 HHBB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 12619802 GHKHJKDHBJEQMV-MRXNPFEDSA-N 420.347 3.880 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C 12985646 BQGWZOFDXQNGLG-QGZVFWFLSA-N 418.471 3.509 5 40 HHBB Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 20280127 SGDQGDUOHXYNTQ-UHFFFAOYSA-N 421.438 3.631 5 40 HHBB CC(=O)Nc1cc(N2CCC(c3nnc(C(C)(C)C)o3)CC2)c(F)cc1[N+](=O)[O-] 32936791 UCXQNIFOAWDIGZ-UHFFFAOYSA-N 405.430 3.757 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 46869035 LQRNWNFOQNTBSQ-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 58452247 RXCMFFPVYYZAAL-AWEZNQCLSA-N 424.400 3.867 5 40 HHBB COc1cc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1 8393420 BKTGTAPDQPIUCW-UHFFFAOYSA-N 406.338 3.649 5 40 HHBB O=C1/C(=C/Nc2ccc([N+](=O)[O-])cn2)c2ccccc2C(=O)N1c1ccc(Cl)cn1 9441223 MIIFYPMPRYFIMM-LFIBNONCSA-N 421.800 3.678 5 40 HHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccn(Cc2ccc(F)cc2)c1=O 10187754 QCWHUDDGXSRONU-UHFFFAOYSA-N 424.413 3.806 5 40 HHBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 16347661 QSDWRUGRTGBHKG-QPJJXVBHSA-N 419.846 3.781 5 40 HHBB CC(C)(C)OC(=O)N1CCC(N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 58173946 RLHJLBFBWQCDKZ-UHFFFAOYSA-N 403.479 3.528 5 40 HHBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCC2)cc1 223808160 GFGFYXLAZCZFIK-SFHVURJKSA-N 423.513 3.922 5 40 HHBB CC(C)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 5407852 BRKRYPSTQITKPZ-NRFANRHFSA-N 400.431 3.648 5 40 HHBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 6710862 RDYLHYHYMRKXML-UHFFFAOYSA-N 408.443 3.884 5 40 HHBB CCCC[S@](=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 8448377 FINGMKPLHVHTOP-GDLZYMKVSA-N 419.371 3.530 5 40 HHBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3cc(C(F)(F)F)nn3C)nc12 17082630 IMNJIYFLBJLQSG-UHFFFAOYSA-N 403.393 3.923 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 40154734 UOQPJBPLULYTRM-LJQANCHMSA-N 419.865 3.659 5 40 HHBB CNC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 44087627 PVWYOUQGNAEBFN-UHFFFAOYSA-N 402.863 3.939 5 40 HHBB CC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57669500 UTTNMCCTYZVVOH-FQEVSTJZSA-N 413.526 3.606 5 40 HHBB Cc1csc(Nc2cccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)c2)n1 58014125 WZGKFMDPMWBCFY-UHFFFAOYSA-N 421.442 3.936 5 40 HHBB CCn1c(COc2ccccc2F)nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409385400 KTTPVZXWVJRFKB-UHFFFAOYSA-N 419.394 3.984 5 40 HHBB O=C(NCc1ccccc1)c1ccccc1Nc1ccn2c(=O)c3ccccc3nc2n1 848446 LMVLCYYZUMUNDP-UHFFFAOYSA-N 421.460 3.916 5 40 HHBB biogenic Cc1nn(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c(C)c1[N+](=O)[O-] 6112064 ZLDPPGIJGJYRFI-UHFFFAOYSA-N 416.441 3.900 5 40 HHBB CCCNC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 9586644 FRDAFLPVKAXOSK-UHFFFAOYSA-N 421.906 3.998 5 40 HHBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 24542728 ZFOUCXVJAOKONS-KRWDZBQOSA-N 412.442 3.807 5 40 HHBB CC[C@H](C(=O)Nc1cccc(SC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521353 YESMFRGVPSQEPH-QGZVFWFLSA-N 423.516 3.500 5 40 HHBB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 6529708 KLGHUPMZEUEGBU-QHCPKHFHSA-N 401.422 3.785 5 40 HHBB COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1 16751427 OVSWCCASRMUASE-UHFFFAOYSA-N 403.331 3.973 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142625 JAOXXSMMGSHEGB-KRWDZBQOSA-N 403.442 3.907 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(NC)c([N+](=O)[O-])c2)cc1 58142385 BIONJKRJDIQCJF-HNNXBMFYSA-N 420.535 3.518 5 40 HHBB Nc1nc(N(Cc2ccco2)Cc2ccco2)nc(NCc2ccco2)c1[N+](=O)[O-] 96347265 MCYQUGLJLHXVJM-UHFFFAOYSA-N 410.390 3.565 5 40 HHBB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 408603655 GPFAVWZZJOYXGF-SFHVURJKSA-N 414.487 3.516 5 40 HHBB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 409202033 NUNZAQPIKZZPFI-ATVHPVEESA-N 414.439 3.978 5 40 HHBB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 409351428 URASGWFADYIZDX-UHFFFAOYSA-N 414.443 3.850 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc2c1CC[C@H](C)C2 2636535 CLETUFGAFPEMOU-NSHDSACASA-N 404.444 3.585 5 40 HHBB CCN(CC)CCn1c(NC(=O)c2cc([N+](=O)[O-])ccc2NC)nc2ccccc21 32883711 OLBAZKVHELKFHS-UHFFFAOYSA-N 410.478 3.580 5 40 HHBB CN(CC12CC3CC(CC(C3)C1)C2)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 32837552 ZDWDSXRUTNPTKM-UHFFFAOYSA-N 413.518 3.720 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3c(F)cc(F)cc3s2)ccc1Cl 6623207 DASSSIBBRJKCFO-UHFFFAOYSA-N 405.791 3.937 5 40 HHBB COc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 6790002 PVGMEBNRPJUSJM-FQEVSTJZSA-N 400.431 3.892 5 40 HHBB CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1OCC 4846284 CUCZINZAWVTHHZ-UHFFFAOYSA-N 416.430 3.805 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223090451 GJHYEBNTJXVFOK-HZPDHXFCSA-N 415.465 3.608 5 40 HHBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222608657 NJFBZOISFWNYNI-LJQANCHMSA-N 415.465 3.608 5 40 HHBB COc1cc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)ccc1OCC(=O)O 96221659 XVPLEBDGMCFKOX-UHFFFAOYSA-N 405.366 3.702 5 40 HHBB biogenic CCC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@](O)(c2ccc(Br)cc2)C1 799709 QLEQYTJRPQGEIU-GOSISDBHSA-N 418.247 3.815 5 40 HHBB CC1CCN(c2ccc(C(=O)NC[C@H]3COc4ccccc4C3)cc2[N+](=O)[O-])CC1 26784342 UBUXWNOVKCPZRP-KRWDZBQOSA-N 409.486 3.812 5 40 HHBB O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccc2ccccc2c1 4694016 PEHKTGUVQCNAPT-UHFFFAOYSA-N 405.863 3.792 5 40 HHBB Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc3C2)cc1 4777073 PJCIELZZZWLYNL-MRXNPFEDSA-N 402.410 3.858 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225097147 IOSAZNLXAWGWSQ-QZTJIDSGSA-N 411.502 3.778 5 40 HHBB COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c([N+](=O)[O-])cc1OC 222565710 RKDFNWFYSMGGEV-NBHSMZAVSA-N 400.460 3.596 5 40 HHBB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 22906590 GEZOIDAMOKKTTI-JOCHJYFZSA-N 402.454 3.519 5 40 HHBB COC(=O)c1ccc(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)cc1 20492284 DRDARLQBGXSTNP-UHFFFAOYSA-N 418.365 3.685 5 40 HHBB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1cc([N+](=O)[O-])ccc1F 5966294 VKNMSPTZOJEACQ-UHFFFAOYSA-N 404.369 3.867 5 40 HHBB Cc1ccc2c(c1)oc1c(C)nc(N3CCN(c4ncccn4)CC3)c([N+](=O)[O-])c12 25075135 HTPBTCWEMXTGKH-UHFFFAOYSA-N 404.430 3.623 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408686150 SCPPVUITDRHANX-FUHWJXTLSA-N 405.410 3.693 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-] 409169580 QBPKFLMHKIDGJU-UHFFFAOYSA-N 415.387 3.592 5 40 HHBB Cc1sc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc1[N+](=O)[O-] 613472412 PJCVWCYCNFGAJG-ZDUSSCGKSA-N 421.544 3.569 5 40 HHBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 138587275 VKIRJIZHXLRABL-ZCQKWSGTSA-N 417.377 3.952 5 40 HHBB CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531426 GKAZLNISSTUWMZ-QGZVFWFLSA-N 419.503 3.703 5 40 HHBB COc1ccc(C(=O)Nc2nc(SCc3ccccc3)ns2)cc1[N+](=O)[O-] 5936584 DGIWVBXJOGAUND-UHFFFAOYSA-N 402.457 4.000 5 40 HHBB Cc1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1[N+](=O)[O-] 17206612 LDAMQWWVDZRMRT-ODLFYWEKSA-N 403.419 3.934 5 40 HHBB Cc1cccc(C)c1N1C(=O)c2cccc3c(NCCCO)c([N+](=O)[O-])cc(c23)C1=O 95470791 JNAPQKWBUKEJRE-UHFFFAOYSA-N 419.437 3.960 5 40 HHBB C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N12 103151035 PQXSWFOGRMAMAY-KZFZAXQGSA-N 419.222 3.774 5 40 HHBB C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2653535 FIPAJFHPFFZHFW-PMDBQALLSA-N 406.341 3.780 5 40 HHBB Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 8412967 ONHVFHMCQZWVBC-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 21134217 NQSXXGBNVTYTJR-KBPBESRZSA-N 400.456 3.596 5 40 HHBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)ccc1[N+](=O)[O-] 57317095 HQNZRLAZFQGKJT-UHFFFAOYSA-N 424.501 3.850 5 40 HHBB CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57669478 FXRXZLMQLAVMRC-HXUWFJFHSA-N 413.526 3.750 5 40 HHBB Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3cccc([N+](=O)[O-])c3)nn12 227143680 LIGGEIFMSSYGTL-CMDGGOBGSA-N 403.427 3.888 5 40 HHBB C[C@H](NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 1807635 ZMSJFOIOKWSDSB-HNNXBMFYSA-N 409.442 3.629 5 40 HHBB CCCC[C@H](CC)CNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 4603640 GVMYTNRWXPBXAH-JXFKEZNVSA-N 413.474 3.513 5 40 HHBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1CCc1ccc(Cl)cc1 5823000 UMSBACQJXGKQLJ-UHFFFAOYSA-N 413.861 3.954 5 40 HHBB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 17093773 LJBPVHHQOXHZNU-UHFFFAOYSA-N 424.276 3.558 5 40 HHBB C[C@H](OC[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 23389756 BVVGIYYPRHOYME-QFBILLFUSA-N 419.909 3.509 5 40 HHBB CC(C)(C)OC(=O)NC1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCCCCC1 24493623 IKLYOMOVQSNHDN-UHFFFAOYSA-N 405.495 3.871 5 40 HHBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100809794 QJNSCGGWXXUQKS-TYGXQLQZSA-N 419.275 3.925 5 40 HHBB CSc1ccccc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 100863174 DSQOUHGKDHUNHE-NILVNCKXSA-N 413.503 3.842 5 40 HHBB Cc1ccc(C)c(Oc2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 101847190 CZYFRFJXXXEKSW-QGZVKYPTSA-N 408.410 3.671 5 40 HHBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 409160831 XLLXOMMPTQEWLO-MHWRWJLKSA-N 411.439 3.887 5 40 HHBB CC(=O)CC(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)(C(F)(F)F)C(F)(F)F 1614744 NXYIJFGOEPXJDN-UHFFFAOYSA-N 418.202 3.502 5 40 HHBB CC(C)Oc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 6345704 PPHQXBKLRDFCSH-UHFFFAOYSA-N 403.866 3.998 5 40 HHBB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1cc(Cl)ccc1[N+](=O)[O-] 9829250 OHZCKIMXQCHDBC-UHFFFAOYSA-N 419.802 3.503 5 40 HHBB CCCc1nnc2sc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 20609662 MOSIABXVANOBHR-UHFFFAOYSA-N 408.443 3.966 5 40 HHBB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 24943357 XDYQTHVNOZBYOH-UHFFFAOYSA-N 400.822 3.536 5 40 HHBB CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 15166344 DMEYYKRHAQDXAO-UHFFFAOYSA-N 418.431 3.514 5 40 HHBB C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc2c(c1)OCO2 9548684 HXTMVFKJZKQDPB-LBPRGKRZSA-N 424.365 3.768 5 40 HHBB COc1ccc(OC)c2c1s/c(=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl)n2C 100909131 GZWXXHZAJRPAFX-ZPHPHTNESA-N 407.835 3.560 5 40 HHBB O=[N+]([O-])c1cccnc1Sc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1 1393329 JBQMFJIDMKIKPG-UHFFFAOYSA-N 402.745 3.789 5 40 HHBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 6056935 CKXOODQPSCIULZ-SNVBAGLBSA-N 413.213 3.851 5 40 HHBB O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1C[C@H]1CCCO1)CCCC2 10255548 CVHBBLXFZOFPCW-MRXNPFEDSA-N 401.488 3.502 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 12797138 FOGZLGWFTHXKIL-FQEVSTJZSA-N 420.487 3.740 5 40 HHBB O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 13634321 OSVMKACHIKTYRB-CYBMUJFWSA-N 421.438 3.831 5 40 HHBB Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(O)c1 17089889 RHKKJLSNLPKAEE-UHFFFAOYSA-N 414.487 3.726 5 40 HHBB C/C=C/C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 39760824 BHTDQWSTMVKUTH-NSCUHMNNSA-N 409.427 3.880 5 40 HHBB O=c1nc2c3ccccc3nc(SCCN3CCCCC3)n2nc1-c1ccccc1 58159427 WUEZQZPHLSLRJC-UHFFFAOYSA-N 417.538 3.883 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100586521 HZKLKUVUWDWUPV-RBZFPXEDSA-N 413.503 3.994 5 40 HHBB CCC(=O)N(c1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(=S)s1)C1CC1 24654965 YWXXRTDNUHSVMU-NSHDSACASA-N 419.532 3.896 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc23)CC1 24760049 GVBUWJKEEFZIQH-VAWYXSNFSA-N 415.449 3.746 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 59132855 PWYXNSRWWSHTLR-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CS(=O)(=O)c1ccc(C(=O)OCc2cc3ccccc3nc2Cl)cc1[N+](=O)[O-] 21311415 JZNWYXVDECHVKJ-UHFFFAOYSA-N 420.830 3.557 5 40 HHBB CCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 6552905 NPYRWCIDLCHZIA-UHFFFAOYSA-N 406.460 3.960 5 40 HHBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c1 4898237 BGZUANHGBWPGFS-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 9990124 SBWZJBGQSKVELK-SOFGYWHQSA-N 422.437 3.501 5 40 HHBB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)N1 1102958 QVGPSUJURXHSFD-VGOFMYFVSA-N 408.197 3.661 5 40 HHBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1ccccc1 3095312 XQESPNLTSAVGFX-UHFFFAOYSA-N 400.378 3.901 5 40 HHBB O=C(Oc1ccccc1C(=S)N1CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4725839 YZRTUIAZQZHPLR-UHFFFAOYSA-N 415.427 3.884 5 40 HHBB CC(=O)Oc1cn(-c2ccc3c(c2)OCCO3)c2nc(C)n3c4ccccc4nc3c12 5236121 NGMKXDZTNCVXFU-UHFFFAOYSA-N 414.421 3.831 5 40 HHBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 6348364 LSMVDKFSWMMVCE-INIZCTEOSA-N 404.785 3.654 5 40 HHBB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12586862 VHNMJUKZCKCXHZ-IYBDPMFKSA-N 403.479 3.531 5 40 HHBB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 12972326 JFOMXOIZVMGDIF-UHFFFAOYSA-N 404.231 3.661 5 40 HHBB Cn1ccnc1[C@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F 40162365 RDUPDZHOZLJRCC-HNNXBMFYSA-N 412.368 3.779 5 40 HHBB Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 61187301 HQHMZGPTUPHNDU-UHFFFAOYSA-N 404.430 3.682 5 40 HHBB CSc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222364277 CISPXZQOCLKUAZ-UHFFFAOYSA-N 423.516 3.502 5 40 HHBB O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 8927763 LMEZUFNUAJHQTQ-HSZRJFAPSA-N 420.396 3.741 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1 10475577 XMTPBOGITUMZLF-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB Cc1sc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 25340034 WFLPRCSRBCRUOZ-UHFFFAOYSA-N 408.789 3.874 5 40 HHBB COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)c2nc3ccccc3s2)cc1OC 40040117 BJZOIWVCAOBJNK-UHFFFAOYSA-N 417.443 3.515 5 40 HHBB COc1ccc(C2(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)CCCCC2)cc1 65475699 MLSDISSUCZJOKK-UHFFFAOYSA-N 424.501 3.549 5 40 HHBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1[N+](=O)[O-] 9903470 VXDGTPCKJURDGN-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB O=[N+]([O-])c1cc(Br)cc(/C=C/c2cc(C(F)(F)F)nc(O)n2)c1O 408720588 VZYZBPYKNSBHEP-OWOJBTEDSA-N 406.114 3.748 5 40 HHBB Cc1c(O[C@H](C)C(=O)NC[C@@H](O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 6659580 BSPNMOIRUNESNA-IIBYNOLFSA-N 417.461 3.872 5 40 HHBB COc1cc(CCC2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc(OC)c1 9118651 OWXBFWGHLNDKCS-UHFFFAOYSA-N 413.474 3.560 5 40 HHBB CN1CCN(Cc2ccccc2CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32916245 FSMMYNKXPLOAPR-UHFFFAOYSA-N 408.424 3.973 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1[N+](=O)[O-] 214983245 HHSRCBWGDYBZBN-CXUHLZMHSA-N 415.383 3.748 5 40 HHBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C 12879383 YKIDKPRGMJDBFT-KRWDZBQOSA-N 410.474 3.501 5 40 HHBB Cc1ccc(C(=O)O)cc1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 14074889 WDBDVJOEPZMVGV-UHFFFAOYSA-N 419.459 3.520 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCCC1 14397056 FHONIBHHDVOHNP-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(NC)c([N+](=O)[O-])c2)cc1 58142374 BIONJKRJDIQCJF-OAHLLOKOSA-N 420.535 3.518 5 40 HHBB O=C(Nc1ccc(I)cn1)c1ccc(Cl)c([N+](=O)[O-])c1 96957116 VRLKDDCEADWIJP-UHFFFAOYSA-N 403.563 3.500 5 40 HHBB COc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1[N+](=O)[O-] 29816460 ZLCQOAZBQSUIDZ-UHFFFAOYSA-N 410.455 3.875 5 40 HHBB Cc1cc(N2CCC[C@H]2CNC(=O)OC(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 78968042 KWKXXLFBLCATQE-KRWDZBQOSA-N 413.478 3.854 5 40 HHBB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6639237 FXXKQVQJFIIDGM-AWEZNQCLSA-N 418.881 3.763 5 40 HHBB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N1 409042298 MEWFGMLLGJOGLD-VGOFMYFVSA-N 408.197 3.661 5 40 HHBB COc1ccc(-c2ccc(C(=O)n3cc(C(N)=O)c4ccccc43)o2)c([N+](=O)[O-])c1 226767975 SBMGOOVRTOULJS-UHFFFAOYSA-N 405.366 3.606 5 40 HHBB CCc1[nH]nc(C(=O)Nc2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c1[N+](=O)[O-] 1639730854 UFJKYULUOYMUKJ-UHFFFAOYSA-N 408.340 3.646 5 40 HHBB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 6552995 DABJYHJICNXXJL-HSZRJFAPSA-N 401.422 3.785 5 40 HHBB Cc1cc(C(=O)Nc2cccc(-n3c(C)nc4ncccc4c3=O)c2)ccc1[N+](=O)[O-] 7509171 DNIUKEFBXUHQSH-UHFFFAOYSA-N 415.409 3.558 5 40 HHBB COC(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 97102839 CNXZPJRYZZKDJZ-UHFFFAOYSA-N 408.360 3.998 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccc(C(C)C)cc2)no1 223596272 CPKJLDGWHSKJJQ-UHFFFAOYSA-N 416.459 3.555 5 40 HHBB CCc1ccc(CN(Cc2cccnc2)C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 32505123 HZWSUHLJRDEJNR-UHFFFAOYSA-N 407.474 3.595 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102412679 OEPCRRGKEJGCPN-RCRDTURJSA-N 406.866 3.963 5 40 HHBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2[N+](=O)[O-])C1 6248820 PWWRTHPLHIDHCG-QGZVFWFLSA-N 424.501 3.920 5 40 HHBB CC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408987476 QGQKDCPSIIKBEO-UHFFFAOYSA-N 413.436 3.686 5 40 HHBB O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 15881992 OCQAXMGWGZSDQS-GOSISDBHSA-N 416.480 3.601 5 40 HHBB Cc1cc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 22094869 QWGWKJQCGYBSSV-UHFFFAOYSA-N 402.760 3.812 5 40 HHBB Cc1cccc(OCCCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 32837548 RGQISEYKQYZGLN-UHFFFAOYSA-N 419.503 3.569 5 40 HHBB O=c1[nH]c(O)nc(/C=C/c2ccccc2OCc2c(F)cccc2Cl)c1[N+](=O)[O-] 35386161 HCULLJFIMDRZKX-CMDGGOBGSA-N 417.780 3.926 5 40 HHBB O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739374 OMZGCMCVXYHZQX-MFOYZWKCSA-N 408.391 3.938 5 40 HHBB Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1cccc(Cl)c1 4994066 BMWVVBAEAALGDM-UHFFFAOYSA-N 403.851 3.868 5 40 HHBB Cc1cc(=O)oc2cc(Oc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c(Cl)cc12 7979138 LWDQCQVITPJIFX-UHFFFAOYSA-N 409.803 3.859 5 40 HHBB CCn1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3cccc(C)c3nc21 9012902 NDIZSMIVQVDKJO-UHFFFAOYSA-N 411.443 3.622 5 40 HHBB COc1ccccc1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9059348 HYKJEKIAZLOKAU-UHFFFAOYSA-N 414.468 3.854 5 40 HHBB O=C1S/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 32124878 WLOAGDRJVSTNKA-LFIBNONCSA-N 402.453 3.920 5 40 HHBB Cc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] 217944353 KUSGGFZDPVLIGN-UHFFFAOYSA-N 417.219 3.646 5 40 HHBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223136417 NKBRDBSEYOFAGO-IBGZPJMESA-N 411.502 3.859 5 40 HHBB COc1ccc(OC)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)c1 408577033 YKZXSRYELONCFT-GOSISDBHSA-N 418.450 3.842 5 40 HHBB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17088819 DRXYNVONHASIFJ-UHFFFAOYSA-N 411.395 3.680 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1[N+](=O)[O-] 205656042 ZQQAFPMMUFVGIL-CXUHLZMHSA-N 415.383 3.748 5 40 HHBB CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531217 BVNOQSPQKIHJDJ-SFHVURJKSA-N 419.503 3.703 5 40 HHBB O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32722396 OWLQRBKQXOISLO-UHFFFAOYSA-N 412.398 3.637 5 40 HHBB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223035718 DTAVDRXSOZONKF-UXHICEINSA-N 424.482 3.869 5 40 HHBB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 40142513 KQAUNYYCEYORCU-HOTGVXAUSA-N 413.522 3.711 5 40 HHBB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 8209520 XRXNFKLRLZYNRB-UHFFFAOYSA-N 400.416 3.774 5 40 HHBB Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cccc1[N+](=O)[O-] 408625888 FXQBHIVYGWJLMF-UHFFFAOYSA-N 400.460 3.625 5 40 HHBB Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(F)(F)F 78968448 SMWRDIUCFWJDGN-ABAIWWIYSA-N 416.425 3.846 5 40 HHBB COc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 409201789 PWHGSHMOHGCYLT-WOJGMQOQSA-N 419.393 3.956 5 40 HHBB CC(C)n1ccc2c(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cccc21 524730799 XQYNEMVIEBRYJC-JKSUJKDBSA-N 420.469 3.552 5 40 HHBB biogenic Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 34705880 NNSFJWIVVIPSLQ-UHFFFAOYSA-N 417.878 3.599 5 40 HHBB O=C(O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 209315037 BTJZHHQXIOXADD-MLPAPPSSSA-N 408.775 3.629 5 40 HHBB Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc([N+](=O)[O-])cc1 59502205 NJTBJPZTEYRSOJ-UHFFFAOYSA-N 415.405 3.804 5 40 HHBB CCOC(=O)c1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 408530694 QLCKUSFJGHWPMF-UHFFFAOYSA-N 415.789 3.830 5 40 HHBB C[C@@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N12 229936985 PQXSWFOGRMAMAY-HUUDAZCASA-N 419.222 3.774 5 40 HHBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 604483829 NEHATHHAARMILZ-OAHLLOKOSA-N 415.515 3.508 5 40 HHBB COc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(OC)c1OC 1515598 DHEPKFYNBKZJNB-NSIKDUERSA-N 418.789 3.619 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1C 30497835 KDZKJUDUNIKOFK-MRXNPFEDSA-N 410.517 3.643 5 40 HHBB O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c(S(=O)(=O)N2CCCC2)c1 33012228 YOMVAGHRAKEEEM-UHFFFAOYSA-N 414.487 3.515 5 40 HHBB COc1ccc(C)cc1NC(=O)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 2798019 FDKLMDORFCLHOW-UHFFFAOYSA-N 403.398 3.874 5 40 HHBB CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 12578825 AMYLXSFOEGKMPL-GOSISDBHSA-N 408.414 3.625 5 40 HHBB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cc([N+](=O)[O-])ccc1Cl 3245811 VMCPYBWQPNDUJI-UHFFFAOYSA-N 400.774 3.903 5 40 HHBB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13057871 JOSQEHUXUHWTMU-UHFFFAOYSA-N 421.331 3.819 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccc(F)cc1 8395808 AKTPSBMIDMYEHM-UHFFFAOYSA-N 407.467 3.911 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCN(C)C)C3=O 32594010 DMYITALTIDASKY-FQEVSTJZSA-N 421.453 3.507 5 40 HHBB CC(C)c1ccc2c(c1)CCCN2C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 40090489 YIJGYNIAKWODMR-UHFFFAOYSA-N 413.499 3.889 5 40 HHBB Cc1ccc(NN2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1C 2071519 BEZSLFSSBIEJJM-UHFFFAOYSA-N 406.354 3.896 5 40 HHBB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 12905561 HNSHJXWYNWUJJK-UHFFFAOYSA-N 418.862 3.947 5 40 HHBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc3ccccc3s2)CC1 12993639 FUAMVAQXUFFEQF-MDZDMXLPSA-N 408.483 3.562 5 40 HHBB Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)cc1 58231021 SYMLDAZCHAFIPN-CQSZACIVSA-N 414.491 3.651 5 40 HHBB O=C(O)COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 8703681 XPOZMZORTHEJDV-OAQYLSRUSA-N 419.393 3.829 5 40 HHBB CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 95465837 RHJHTRLMFQBPTI-YJYMSZOUSA-N 414.849 3.940 5 40 HHBB O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409124294 BBTGOFURHMQRKM-AWNIVKPZSA-N 408.775 3.629 5 40 HHBB O=[N+]([O-])c1cc(Br)cc(Br)c1I 145431815 QEZQKTPPAGXRDH-UHFFFAOYSA-N 406.799 3.724 5 40 HHBB CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)OC(C)(C)OC2=O)[C@@H]1c1ccccc1 5389233 OADANPYOHMPFFJ-SFHVURJKSA-N 410.426 3.541 5 40 HHBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2nc3ccccc3n12 16545567 HYESQVDBEHAVEI-WOJGMQOQSA-N 416.418 3.552 5 40 HHBB CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 10634123 ACMJKJGQZWDPEG-LLVKDONJSA-N 406.822 3.988 5 40 HHBB O=C(CCc1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1cccc([N+](=O)[O-])c1 866243 JZWIBZQMDOAFBL-SFHVURJKSA-N 407.348 3.523 5 40 HHBB CN(C)Cc1ccccc1CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9349125 IIJTUAYRDGALNS-UHFFFAOYSA-N 424.423 3.794 5 40 HHBB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccc([N+](=O)[O-])c1 409124291 AUCNYFMDUDHZJO-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB O=C(CSc1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 5181432 IPCAMCACZVIWDP-UHFFFAOYSA-N 414.512 3.645 5 40 HHBB COc1cc(OC)c(C2=CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 12783287 YCXSNNPWGQTDFP-RMKNXTFCSA-N 424.453 3.950 5 40 HHBB CC1CCN(c2ccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2[N+](=O)[O-])CC1 13096780 UGCXDWUQXIBQGL-QFIPXVFZSA-N 410.518 3.864 5 40 HHBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 46069510 RCORGQXYOLNINH-STQMWFEESA-N 402.426 3.642 5 40 HHBB Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1ccc(C(=O)O)o1 226353765 VDOCQMYOEWUTIL-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1 1817067 ZMXXEJHYJHCWRO-NRFANRHFSA-N 403.442 3.565 5 40 HHBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C 7235640 CCCCPFYTFHDYCE-UHFFFAOYSA-N 401.423 3.569 5 40 HHBB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 106754473 WMMCAZWJMHCOLM-SXGWCWSVSA-N 416.411 3.843 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)Cc2ccccc2)cc1 408620658 IIIBAWCJVLQIRM-UHFFFAOYSA-N 405.410 3.794 5 40 HHBB O=[N+]([O-])c1cnc2n1C[C@H](CSc1nc(-c3ccccc3)cc(C(F)(F)F)n1)O2 800675 PCECMFFBTRGXJC-LLVKDONJSA-N 423.376 3.820 5 40 HHBB CCCN1C(=O)N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409230348 CDCJXTZFHHURPR-XDHOZWIPSA-N 404.426 3.901 5 40 HHBB CCCn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21 16975831 XGMICDIJGZJWTK-UHFFFAOYSA-N 411.443 3.704 5 40 HHBB CCCC1=C(C(=O)OCC)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2nc(C)nc2N1 14163449 VOBQBAQRVGUBEV-INIZCTEOSA-N 405.842 3.780 5 40 HHBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1I 829686 DPCPIYKVMQDATD-NTEUORMPSA-N 420.162 3.544 5 40 HHBB CCOc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc12 10166317 CROICUMETJFZFB-UHFFFAOYSA-N 418.500 3.627 5 40 HHBB CC1CCN(C(=O)COc2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 44974472 PBKJFCBKSWWSBB-UHFFFAOYSA-N 422.441 3.949 5 40 HHBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1 1512732 RKHULYNMYFJETC-ISQHLFTMSA-N 414.392 3.611 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ncc(C(F)(F)F)cc1Cl 3271818 LHHSKXWNYCCFER-UHFFFAOYSA-N 409.729 3.519 5 40 HHBB COc1ccc(Cn2c(-c3ccco3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2356675 YHWVMPKNHGMHDI-UHFFFAOYSA-N 413.433 3.565 5 40 HHBB CC(C)n1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 65322418 RXOJBVWLSBNICP-UHFFFAOYSA-N 423.473 3.610 5 40 HHBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N1CCN(c2ccccc2)CC1 5345367 AUYKAYPLPRVVEI-UHFFFAOYSA-N 414.461 3.674 5 40 HHBB O=C1C[C@H](C(=O)N2CCCc3cc(Cl)ccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 1523814340 ZMAOWLJSBCCPKX-ZDUSSCGKSA-N 417.824 3.720 5 40 HHBB COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(I)cc3)oc12 73641735 DTLZCDJENYOWPD-UHFFFAOYSA-N 424.150 3.794 5 40 HHBB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224790900 ZKPYSLCLAGLQKE-UHFFFAOYSA-N 414.867 3.789 5 40 HHBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 13149812 IJKYQNAFEWYJIM-UHFFFAOYSA-N 407.814 3.919 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2ccc(N3CCOCC3)cc2s1 6422958 RSODZQYDTSDDHU-QPJJXVBHSA-N 410.455 3.693 5 40 HHBB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)n2)cc1 8483957 DKABEXALXNDDDW-UHFFFAOYSA-N 413.459 3.682 5 40 HHBB O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCCC1 3178027 NMFVUULYDRDXBO-NHCUHLMSSA-N 418.941 3.668 5 40 HHBB COc1cc(C(=O)NC(C)(C)[C@@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 95456406 UJTXKHILNWLCGL-LLVKDONJSA-N 408.838 3.938 5 40 HHBB CCc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@](O)(C(F)(F)F)C2)cc1 409107677 SLQOKQPGGFLHSL-SFHVURJKSA-N 407.348 3.658 5 40 HHBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716633 YCOGXFRONCDMOA-SFHVURJKSA-N 419.503 3.703 5 40 HHBB O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc12 4178460 CXLQPHYDMUOWFL-UHFFFAOYSA-N 406.394 3.893 5 40 HHBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3c(F)cccc3s2)CC1 5182008 LLDFFDBUUIJNPS-TWGQIWQCSA-N 412.446 3.706 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 12797133 FOGZLGWFTHXKIL-HXUWFJFHSA-N 420.487 3.740 5 40 HHBB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] 12984672 IOKBZCKWBXQMCY-SFHVURJKSA-N 417.531 3.757 5 40 HHBB O=c1/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc(-c3ccccc3)nn12 16735340 DXFYDIBITRIWBX-PDGQHHTCSA-N 416.418 3.534 5 40 HHBB CCN(CC)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 17089170 BEIQKLWKXNIAIH-UHFFFAOYSA-N 412.490 3.838 5 40 HHBB CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1OC 25065333 NETGKEWMFHXZDW-UHFFFAOYSA-N 409.778 3.741 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 40154694 OWCHBYNTAGFZKE-YJYMSZOUSA-N 419.865 3.657 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 408642400 OOAHDWQNUQMBDI-LLVKDONJSA-N 423.347 3.614 5 40 HHBB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408808757 FJVMBLFGRKUQQT-YVLHZVERSA-N 400.412 3.849 5 40 HHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 6597498 MAIHOFYDRKLVJB-UHFFFAOYSA-N 402.362 3.752 5 40 HHBB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 8413024 NEXDETGWXHVXIT-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1[N+](=O)[O-] 57317127 FGGRJWOGBYGKIE-UHFFFAOYSA-N 424.501 3.850 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(Cc2nc3ccccc3s2)CC1 24149496 JZLNMVUNQNAOMP-CMDGGOBGSA-N 408.483 3.562 5 40 HHBB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 101845663 UOTQFAQAAWCIGH-XSLAGTTESA-N 414.801 3.707 5 40 HHBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2csc3ccccc23)CC1 12792309 JWVLABLMPQQZFN-INIZCTEOSA-N 424.526 3.954 5 40 HHBB Cc1ccc(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)c([N+](=O)[O-])c1 12873436 JGNINTRZBDYSOJ-UHFFFAOYSA-N 424.526 3.874 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl 409246581 IYJBKKGPNWSBTL-OQLLNIDSSA-N 417.830 3.923 5 40 HHBB Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1-c1ccc(C(=O)O)o1 226353877 NFYINSBYFIMGQV-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB COc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc([N+](=O)[O-])s3)nc12 12140973 OUVGATMWYPRUIG-UHFFFAOYSA-N 420.516 3.873 5 40 HHBB Cc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 21760367 KTFAUETZKYCMAI-UHFFFAOYSA-N 402.760 3.812 5 40 HHBB COc1ccc(Cn2c(-c3ccccc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2439697 KWXUZWRJWAVKOZ-UHFFFAOYSA-N 423.472 3.972 5 40 HHBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCCC2)cc1 8156265 YIEPTBKHZKDEFQ-UHFFFAOYSA-N 410.474 3.734 5 40 HHBB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(NC2CC2)c([N+](=O)[O-])c1 21768838 RCXHIZSKFZBKCR-UHFFFAOYSA-N 412.427 3.802 5 40 HHBB CN(C)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-] 40081829 AIUMIDQSTBIHLQ-IBGZPJMESA-N 419.485 3.713 5 40 HHBB COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408571060 NDANDNJECIRFIM-GOSISDBHSA-N 412.471 3.781 5 40 HHBB Cc1nn2c(nc1=O)SC[C@H](Sc1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1 16779246 JWZNVQXINFVYIM-DLBZAZTESA-N 412.496 3.711 5 40 HHBB CN(C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1 24926758 FJWACMSCEIYMRK-HXUWFJFHSA-N 405.523 3.635 5 40 HHBB CCCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O 40399015 JHVUOBSUACDZLG-UHFFFAOYSA-N 418.501 3.667 5 40 HHBB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 3252283 GDHHGOHNOLAJRE-UHFFFAOYSA-N 401.177 3.765 5 40 HHBB O=C(Nc1ccncc1NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])s1 9404973 GPRPGGHRAMTZIJ-UHFFFAOYSA-N 419.400 3.526 5 40 HHBB COc1ccc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-] 408628176 QHENVCHBJHFQOZ-UHFFFAOYSA-N 403.460 3.765 5 40 HHBB COc1ccc(Nc2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1 5141865 PDWSNTGESAUHAP-UHFFFAOYSA-N 400.826 3.985 5 40 HHBB C[C@@H]1C[C@@H](C)CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 5186561 RLDAPFNEUZJIIG-IAGOWNOFSA-N 424.549 3.908 5 40 HHBB COc1cc(CCNC(=O)c2ccccc2SC(F)F)c([N+](=O)[O-])cc1OC 12800021 MGIBCCDUMGISQW-UHFFFAOYSA-N 412.414 3.899 5 40 HHBB CCCOC(=O)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 48019977 LEBVKSUXRRMYSW-UHFFFAOYSA-N 412.446 3.516 5 40 HHBB CCOC(=O)c1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)n(-c2ccccc2)n1 408528863 LQUVSTSNKBSMPF-UHFFFAOYSA-N 415.789 3.830 5 40 HHBB CN(C)C(=S)Oc1cc(OCCCOc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 1669277 CBNJQOOWEYKHFG-UHFFFAOYSA-N 421.431 3.576 5 40 HHBB Cc1cccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)c3ccccc3c2=O)c1 4223087 ZVGAEOWYBVBZPL-UHFFFAOYSA-N 414.421 3.919 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1C 10630179 WKZPTNDWBLJWNU-QGZVFWFLSA-N 400.460 3.614 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15408211 OHVSCVLNSXZMRJ-UHFFFAOYSA-N 415.402 3.787 5 40 HHBB COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-] 24931580 VWCRRHBXQQASMQ-GOSISDBHSA-N 406.442 3.656 5 40 HHBB CC[C@@H](NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12)c1ccc(C)cc1 36619423 VJHLQTCDPVMYEN-GOSISDBHSA-N 416.441 3.889 5 40 HHBB COc1ccc(OC)c2c1s/c(=N\C(=O)c1cc(Cl)ccc1[N+](=O)[O-])n2C 100908907 ZJNVLAHWTSVVAT-ZPHPHTNESA-N 407.835 3.560 5 40 HHBB O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 138769975 QOASBAPGOFHCDC-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c1 218053856 FEYIEUKUZRYWEP-UHFFFAOYSA-N 412.471 3.845 5 40 HHBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)S2)cc1 408777290 XUOQCFFDOLDDLG-JYWRCUDFSA-N 415.471 3.774 5 40 HHBB NS(=O)(=O)c1ccc(Sc2nc3cc(Cl)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1 32509760 BWMILJRZXCDSSB-UHFFFAOYSA-N 419.271 3.577 5 40 HHBB O=C1[C@H]2[C@@H](c3cccs3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102735666 NHKZQPFXZRNZHB-IPMKNSEASA-N 421.434 3.707 5 40 HHBB O=C(Nc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 12605983 CZWQAZXUXFRQCF-UHFFFAOYSA-N 410.455 3.751 5 40 HHBB COc1ccc(-c2noc(CCCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1OC 2230181 IJDICRKNOOZJTK-UHFFFAOYSA-N 412.402 3.623 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(/C=C2\SC(=S)N=C2O)cc1 13894050 YWXOPSPBBBUBRO-LCYFTJDESA-N 422.465 3.692 5 40 HHBB CCOC(=O)C1CCN(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)CC1 6643803 DAPACPRVKOGLSM-UHFFFAOYSA-N 419.477 3.952 5 40 HHBB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 46432714 SEBQZIHDKSGHFF-INIZCTEOSA-N 403.822 3.500 5 40 HHBB COc1ccc2c(=O)c3c(=O)n(Cc4ccccc4)c(-c4ccco4)nc3oc2c1 2342498 DYUAIRJUASFZFZ-UHFFFAOYSA-N 400.390 3.820 5 40 HHBB CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 8427995 KMLYOGCQTNVFEX-UHFFFAOYSA-N 404.322 3.639 5 40 HHBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 9262247 MHVCRISUBMPYIT-LKBVRNOZSA-N 416.411 3.761 5 40 HHBB Cc1cc(=O)[nH]c(Sc2c(-c3ccccc3)c3ccc([N+](=O)[O-])cc3[nH]c2=O)n1 13844220 WRPQPMXLQQQBBG-UHFFFAOYSA-N 406.423 3.646 5 40 HHBB C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)c1ccc(F)cc1 27339198 ORXUPRNOQFYGJZ-HNNXBMFYSA-N 423.448 3.875 5 40 HHBB CC(C)(C)c1nc2cc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)ccc2o1 33215843 AIECJXSVIXWBGI-UHFFFAOYSA-N 406.402 3.867 5 40 HHBB COc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1[N+](=O)[O-] 408553916 RNXQJYGFHXRSPV-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB CCC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(Br)cc2)C1 799707 NNPOFVBMKCHAKU-GOSISDBHSA-N 418.247 3.815 5 40 HHBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC 8477654 YGDCSCMLRLXZPI-UHFFFAOYSA-N 400.840 3.846 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccc(Cl)cc1 408706363 GXXNMCOSUJNAFZ-UHFFFAOYSA-N 400.909 3.768 5 40 HHBB COc1cc2sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)nc2cc1Cl 17093308 WDHIBILEDUSRCB-UHFFFAOYSA-N 422.875 3.993 5 40 HHBB COc1ccc2cc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c(Cl)nc2c1 32724222 PDEWARZEOXGCET-UHFFFAOYSA-N 416.773 3.891 5 40 HHBB O=C(O)c1ccccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 4017252 BUEWBKBNGQJCEJ-UHFFFAOYSA-N 404.334 3.886 5 40 HHBB O=[N+]([O-])Nc1ccc(C(c2ccc(N[N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 104151761 KYPSTUVCTLISCO-UHFFFAOYSA-N 409.358 3.982 5 40 HHBB Cc1c(CSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)cccc1[N+](=O)[O-] 72283177 VUNHXNLNTYXZQX-KRWDZBQOSA-N 417.535 3.956 5 40 HHBB CCNc1c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)oc2ccccc12 16681925 RDSKMDNQNPVZQI-UHFFFAOYSA-N 423.834 3.587 5 40 HHBB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 714607 AXEIHZWYIQUTAZ-SFHVURJKSA-N 407.348 3.767 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3416279 MBBYZOPCDVILMY-UHFFFAOYSA-N 423.878 3.593 5 40 HHBB O=C(NCc1cccnc1OC1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 40091110 CYZGNXDDALXGJO-UHFFFAOYSA-N 410.474 3.841 5 40 HHBB O=C(NCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(O)cc1 59023348 QSWVGGCSEXHPMW-UHFFFAOYSA-N 403.744 3.815 5 40 HHBB O=[N+]([O-])c1cccnc1NCc1ccccc1CN1CCN(c2ccccc2)CC1 96524734 JNHZBXQAXHDMIT-UHFFFAOYSA-N 403.486 3.924 5 40 HHBB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225424181 XARHXIPLPOBLGL-MSOLQXFVSA-N 411.502 3.512 5 40 HHBB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 21188671 URSBCVIOEQJAJK-UHFFFAOYSA-N 405.295 3.630 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1ON(C)C(=O)N1c1ccc(Cl)cc1 5724929 OGRJEWQGRHQDMH-QGZVFWFLSA-N 404.810 3.715 5 40 HHBB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12587264 AVDKMENNQACMAG-UHFFFAOYSA-N 424.432 3.670 5 40 HHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1O 409411860 MJFRBICUCXIBIU-UHFFFAOYSA-N 413.459 3.618 5 40 HHBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(I)cc1 682716 QMAZIBROTWQTNU-NTEUORMPSA-N 420.162 3.544 5 40 HHBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2F)CC1 57024330 BCPKDNHGDSTMGR-CYBMUJFWSA-N 406.845 3.537 5 40 HHBB O=C(O)c1ccc(N2CN(Cc3ccccc3)CC(c3ccc([N+](=O)[O-])o3)=N2)cc1 20853363 UTKQSPLUWSBEKC-UHFFFAOYSA-N 406.398 3.570 5 40 HHBB CC(C)Oc1ccccc1NC(=O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 8995889 MXVYYTTYLIOKON-UHFFFAOYSA-N 413.459 3.898 5 40 HHBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408676721 BHFXJKHOAYDLPB-XPGWFJOJSA-N 421.453 3.573 5 40 HHBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCC1=O 408684238 NCHZSHVFOGXXNH-UHFFFAOYSA-N 422.224 3.608 5 40 HHBB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 409181863 GDCNPXXSJFZHQD-UHFFFAOYSA-N 420.805 3.563 5 40 HHBB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)n1 4518834 FFXVNUZCMDYVRH-UHFFFAOYSA-N 404.425 3.824 5 40 HHBB O=C(Oc1cc(S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-])c1cccnc1Cl 2147598 QHJGVIVSRWUNBB-UHFFFAOYSA-N 418.814 3.695 5 40 HHBB O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 10187796 MFEIFGXKVMUELR-UHFFFAOYSA-N 424.360 3.532 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 947085 WJFYEOQVGRJGIK-UHFFFAOYSA-N 408.366 3.537 5 40 HHBB OCC[n+]1c2ccccc2nc2ccc(N3CCN(c4cccc(Cl)c4)CC3)cc21 5022387 RMGCJIRAPIMDET-UHFFFAOYSA-N 419.936 3.648 5 40 HHBB O=c1[nH]c(O)nc(/C=C/c2ccc(-c3ccc(Br)cc3)o2)c1[N+](=O)[O-] 5041257 FTMHUVKYFDNPNO-FNORWQNLSA-N 404.176 3.577 5 40 HHBB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] 17082151 LPQBFNCTKYJERA-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 40155887 OYPDQXIJQJOUAR-UHFFFAOYSA-N 404.426 3.928 5 40 HHBB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 58161748 VEKGSQZLJLIFBP-FTRWYGJKSA-N 409.486 3.961 5 40 HHBB Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1-c1ccc(C(=O)O)o1 226353937 BSEVCYBAMRNAIJ-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB COc1ccc(C)cc1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 7780253 JJSAAYMMKZXKQO-UHFFFAOYSA-N 405.476 3.830 5 40 HHBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)cc1 12639456 NNCGGPBBMSCJJK-UHFFFAOYSA-N 418.482 3.988 5 40 HHBB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 12765617 LDINILNHMOFZMC-UHFFFAOYSA-N 408.380 3.618 5 40 HHBB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 14385553 PEOOXHUELKXRRE-UHFFFAOYSA-N 405.476 3.576 5 40 HHBB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)NNc1ccc([N+](=O)[O-])cc1 17088759 FMVAOOYJOKKAML-KRXBUXKQSA-N 411.270 3.933 5 40 HHBB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 17986653 MXMQSSRBPPKJAF-FASAQXTFSA-N 408.410 3.740 5 40 HHBB Cc1csc(Sc2ccc(C(=O)Nc3cn(C)c(=O)cc3C)cc2[N+](=O)[O-])n1 78987382 DKJNDTIKQBMMFL-UHFFFAOYSA-N 416.484 3.770 5 40 HHBB COc1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 226071373 XWNWHLSEICZKNU-LJQANCHMSA-N 417.526 3.917 5 40 HHBB COc1ccc2c(c1)Cc1sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc1-2 409054332 UWLBFVHWRIXWFO-UHFFFAOYSA-N 412.383 3.792 5 40 HHBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1 5843078 NRFZYNFGWRLGIA-RUDMXATFSA-N 410.304 3.689 5 40 HHBB COc1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 6470802 BOTKIBNSLGIYLY-UHFFFAOYSA-N 413.407 3.655 5 40 HHBB Cn1nnnc1Sc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] 6552780 XXTQLVZFMNHEPD-UHFFFAOYSA-N 412.475 3.819 5 40 HHBB COc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc([N+](=O)[O-])c2)c1 9667702 DCQIGEZWUWLBTJ-UHFFFAOYSA-N 419.397 3.756 5 40 HHBB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12559790 ZSENHQJYGVCYDM-UHFFFAOYSA-N 421.291 3.960 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(OCc2nc3ccccc3s2)c([N+](=O)[O-])c1 24706961 IEOCLEDMUCDCLI-UHFFFAOYSA-N 421.500 3.814 5 40 HHBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(CN2CCCC2=O)cc1 40013213 RVBSZXDFTHHRKD-UHFFFAOYSA-N 401.850 3.643 5 40 HHBB Cc1cc2oc(=O)cc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1Cl 57911470 NHMILOUYUZKQGA-UHFFFAOYSA-N 413.861 3.985 5 40 HHBB COc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1[N+](=O)[O-] 3220090 IHSNGRZMWYLIQJ-UHFFFAOYSA-N 424.482 3.871 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181224 XYBCKAYJKIAQSI-UHFFFAOYSA-N 402.863 3.820 5 40 HHBB Cc1cc(C)c(C)c(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 13960260 WFXIMDQQONVABX-YHELAOLJSA-N 422.437 3.979 5 40 HHBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(Br)c1 32906128 WFEGQTOLCQWVAU-UHFFFAOYSA-N 407.249 3.964 5 40 HHBB O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCc1nnc2ccccn12 40071529 DASMSEAXLICMSJ-UHFFFAOYSA-N 413.235 3.603 5 40 HHBB Cc1ccc(C(=O)N2[C@H](c3ccccc3Cl)SC[C@H]2C(=O)O)cc1[N+](=O)[O-] 1077537 QQGWSJVHUOYLSA-RDJZCZTQSA-N 406.847 3.898 5 40 HHBB COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2307279 HQWQAJZNLQZJBY-UHFFFAOYSA-N 417.444 3.768 5 40 HHBB COc1ccc(O)c(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1 2664262 UBUAKVYXEZSVLO-UHFFFAOYSA-N 407.304 3.745 5 40 HHBB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6622914 HZBVAZKGDYFCII-NSHDSACASA-N 403.851 3.948 5 40 HHBB C[C@@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N12 15931877 PQXSWFOGRMAMAY-NUKPPHMFSA-N 419.222 3.774 5 40 HHBB COc1ccccc1NC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 24366180 HIJRVCKSYJMNOX-UHFFFAOYSA-N 424.379 3.976 5 40 HHBB CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)o1 40082089 TWQMNBGUUCVDRK-UHFFFAOYSA-N 400.412 3.835 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 210809185 FGUHYZGAJUFXTN-OQLLNIDSSA-N 417.830 3.923 5 40 HHBB C[N+]12CCCC[C@H]1[C@@H](COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CCC2 4028685 IDLJIYQNWQWRCQ-NWSVULJOSA-N 415.554 3.740 5 40 HHBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 9698858 FYHZGRRUISUTAV-UHFFFAOYSA-N 420.352 3.892 5 40 HHBB O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 10187913 HRRKCNYESDBLTN-UHFFFAOYSA-N 424.360 3.532 5 40 HHBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 223637494 YCTMBRIICJTZCI-UXHICEINSA-N 424.482 3.605 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 245225618 ZJOUIBDLFHLPAD-XUXOIFHUSA-N 405.520 3.616 5 40 HHBB Cc1ccc(C(=O)N2[C@@H](C(=O)O)CS[C@H]2c2ccccc2Cl)cc1[N+](=O)[O-] 1077533 QQGWSJVHUOYLSA-WBVHZDCISA-N 406.847 3.898 5 40 HHBB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1cc([N+](=O)[O-])ccc1Cl 9829253 CVGXGMFNRHYEOK-UHFFFAOYSA-N 419.802 3.503 5 40 HHBB COc1cc(CN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F 29499317 ZKANKESNRHPBFD-UHFFFAOYSA-N 419.388 3.553 5 40 HHBB NCCCCCCN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O 95470764 RZOPSJXMUWDNJI-UHFFFAOYSA-N 420.263 3.626 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] 223183644 DCCJACXTWAJBBY-UHFFFAOYSA-N 422.513 3.848 5 40 HHBB COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409230029 BMIGINVNRKXXKG-LFIBNONCSA-N 415.427 3.855 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc(-n2ccnc2)cc1 9517050 DVTNVPWDEZKDCN-UHFFFAOYSA-N 413.333 3.866 5 40 HHBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 12621584 WDBJCKFGLPYIBB-MRXNPFEDSA-N 420.347 3.880 5 40 HHBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223047968 QBNQWLMUFAENLE-GOSISDBHSA-N 411.502 3.779 5 40 HHBB Cc1c(C(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cccc1[N+](=O)[O-] 23137149 KHHXDJPVWDSHAM-UHFFFAOYSA-N 402.520 3.615 5 40 HHBB CCOC(=O)c1cc2cc3cc(C(=O)OCC)c(C)nc3c(NC(C)=O)c2nc1C 3845542 ACPNIVIQLXUPFV-UHFFFAOYSA-N 409.442 3.712 5 40 HHBB biogenic COc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OC(C)=O 865428 XMCUCXVDDYQWOX-CHHVJCJISA-N 416.773 3.527 5 40 HHBB Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 12983977 YIUYGOWEHNAILF-OAQYLSRUSA-N 404.422 3.598 5 40 HHBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 17088107 HZVOPMQRNMCNRC-UHFFFAOYSA-N 408.823 3.900 5 40 HHBB CSc1nnc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccc(F)cc1 9369032 XDDLLUFEQPMAOY-UHFFFAOYSA-N 421.841 3.620 5 40 HHBB COc1ccc2ccc3c(OC(C)=O)ccc(CCN(C)C(C)=O)c3c2c1OC(C)=O 1597217 OVYRWYKTBOBMHR-UHFFFAOYSA-N 423.465 3.873 5 40 HHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1F 2406612 NQWQJTFAMDCHMR-UHFFFAOYSA-N 417.444 3.849 5 40 HHBB CC[C@H](C)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 2616926 GOZNIEBJFLFQPB-JTQLQIEISA-N 409.489 3.582 5 40 HHBB Cc1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)c(Br)c1 3220042 LVFRADYSJYIUGG-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB Cc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])cc1C 4807337 CMZZPMBWBZWYHX-UHFFFAOYSA-N 406.822 3.734 5 40 HHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(=O)n(Cc2ccccc2)c1 7573775 FCWCPYMLPSANKJ-UHFFFAOYSA-N 406.423 3.667 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1 17150162 POJQBAGPQHNRSH-CAOOACKPSA-N 415.427 3.718 5 40 HHBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc(-c3cccs3)nn12 26841992 WRDKVZPWSZNTLV-MHWRWJLKSA-N 422.447 3.595 5 40 HHBB Cc1c(NC(=O)COc2ccc(I)cc2)cccc1[N+](=O)[O-] 68922039 ISEHRFZQQYIDHI-UHFFFAOYSA-N 412.183 3.525 5 40 HHBB Cc1ccc(C)c(Oc2cc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cc([N+](=O)[O-])c2)c1 103155263 CZYFRFJXXXEKSW-HNBVOPMISA-N 408.410 3.671 5 40 HHBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccccc1C(F)(F)F 3346671 ZNGQZAIBUKUWKD-UHFFFAOYSA-N 424.379 3.513 5 40 HHBB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1 5267050 XQKHHVGOVBNIAJ-GOSISDBHSA-N 403.350 3.747 5 40 HHBB O=Cc1cn(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(Br)cc12 6548380 GKDRBBXHMIMAIP-UHFFFAOYSA-N 402.204 3.763 5 40 HHBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(C)nn(C)c2C)c2ccccc2)c([N+](=O)[O-])c1 10952486 VTYSMEVGSKLSQD-FQEVSTJZSA-N 422.441 3.790 5 40 HHBB C[C@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(=O)Nc1ccccc1[N+](=O)[O-] 39608108 NVOOEPOKWZPWRN-FGEFZZPRSA-N 420.834 3.541 5 40 HHBB Cn1cnnc1Sc1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc1[N+](=O)[O-] 84169067 YVUVQUMUPVVAJX-ZDUSSCGKSA-N 417.413 3.581 5 40 HHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3cc(Cl)ccn3)c([N+](=O)[O-])c2)C1 95467515 RXUBDTVODWIGNK-ZDUSSCGKSA-N 424.910 3.676 5 40 HHBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 224789512 BYOHCKWEBRTJKM-UHFFFAOYSA-N 406.460 3.604 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(C)cc1Br 408647097 RVXUAMFZCDBZOA-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 95681986 AZDYSZXTLGWCIW-UHFFFAOYSA-N 415.314 3.580 5 40 HHBB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17092458 ZBKRNWBOIPXQQN-UHFFFAOYSA-N 420.878 3.681 5 40 HHBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 6043814 FCMXGGAKHCOMNR-HUUCEWRRSA-N 411.458 3.736 5 40 HHBB Cc1ccc(NCc2n[nH]c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 6245349 ZNGFNWJQNLITJM-UHFFFAOYSA-N 412.475 3.673 5 40 HHBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OC 205680195 UQCYXBLFZPXUDO-MHWRWJLKSA-N 400.412 3.849 5 40 HHBB Cc1cc(C)c(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 220388327 IRDVJNPWZSELJZ-MRXNPFEDSA-N 419.503 3.622 5 40 HHBB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1 9109237 YCLQLQXESPUYGX-GOSISDBHSA-N 421.340 3.887 5 40 HHBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 13592957 ZXABMUGOSSOPLJ-NIJIEXERSA-N 417.421 3.564 5 40 HHBB Cc1ccc(CN2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1 21445261 YGCWUUXHGJGRDT-UHFFFAOYSA-N 408.502 3.826 5 40 HHBB Cc1ccc([N+](=O)[O-])c(OC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c1 40130992 LJIGELUUDDVDBF-UHFFFAOYSA-N 402.403 3.847 5 40 HHBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)o1 409195501 VUZIHBWDYFFAJT-NVNXTCNLSA-N 402.388 3.508 5 40 HHBB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] 7688301 DRJXMXKXFVGAJL-UHFFFAOYSA-N 413.411 3.750 5 40 HHBB CCOC(=O)Cc1csc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1 9630729 HZQQCBBCWUUCLO-UHFFFAOYSA-N 415.880 3.541 5 40 HHBB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)C[C@@H](C)O1 12756985 ZUTFJRICSCPRHT-GHMZBOCLSA-N 410.883 3.566 5 40 HHBB Cc1ccc(C)c(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 13960267 CZYFRFJXXXEKSW-HNJRGHQBSA-N 408.410 3.671 5 40 HHBB Cc1cn(C)nc1/C=C(\c1nnc(-c2ccccc2)o1)n1nc(C)c([N+](=O)[O-])c1C 6790084 WNBULSGFJIUKRF-LICLKQGHSA-N 405.418 3.546 5 40 HHBB COc1ccc(Cl)cc1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6953610 JUCFXBCRZXUBPB-UHFFFAOYSA-N 410.257 3.873 5 40 HHBB COc1ccc(/C=C(\NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)OCc2ccco2)cc1 12658398 ASZDOEZKXBVWBH-NDENLUEZSA-N 422.393 3.711 5 40 HHBB Cc1nnc2sc(-c3ccccc3NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn12 21595425 FRLPIFQUMBQXJD-UHFFFAOYSA-N 414.834 3.975 5 40 HHBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)N(c1ccccc1)C1CCCCC1 57585535 HDMYKWCMAXFSHK-UHFFFAOYSA-N 412.490 3.777 5 40 HHBB Cc1cc(F)c2c(c1)CCCN2C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 108301829 UQBODDSUFWAARI-CQSZACIVSA-N 415.396 3.514 5 40 HHBB Cc1ccnc2c(S(=O)(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)cccc12 547953006 VXYHMYWFTVCREQ-UHFFFAOYSA-N 409.427 3.642 5 40 HHBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 4704199 XXZODCRTVHCVCE-KRWDZBQOSA-N 410.821 3.767 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 24579604 DSXWVARRVDFZOM-HNNXBMFYSA-N 417.487 3.719 5 40 HHBB O=C(NC(=S)Nc1cccc(F)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408624506 UVAFNAUNNAUUBM-UHFFFAOYSA-N 402.451 3.851 5 40 HHBB O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1 5461632 GVGKNNOXSUNIOV-UHFFFAOYSA-N 403.427 3.602 5 40 HHBB Cc1c(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cccc1[N+](=O)[O-] 408841532 JNUHICSYZGJAIU-YBFXNURJSA-N 403.419 3.934 5 40 HHBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222461169 KKFDFDPMTJCJET-FQEVSTJZSA-N 411.502 3.778 5 40 HHBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c(F)c1F 17090999 NOHINXZOFCWGQT-UHFFFAOYSA-N 417.340 3.595 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3c(F)cccc3s2)CC1 5181994 JOQPYCHLQRJNOZ-BQYQJAHWSA-N 412.446 3.706 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C 4652828 HZKLKUVUWDWUPV-XCLFUZPHSA-N 413.503 3.994 5 40 HHBB O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(Br)cc1 18210685 BBCTUWTZEUHKFM-UHFFFAOYSA-N 412.221 3.996 5 40 HHBB CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2c([nH]c3ccccc32)c1=O 20605371 OPQNMUJKGRXXED-UHFFFAOYSA-N 423.454 3.537 5 40 HHBB CCN(CC)CCSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 58046939 SNNMPTXYBYFXNC-UHFFFAOYSA-N 405.527 3.739 5 40 HHBB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 89780792 PFHHWSXAQXVUIJ-UHFFFAOYSA-N 423.878 3.675 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 535833163 DYLIXOLUXCXSGL-JPYJTQIMSA-N 416.452 3.628 5 40 HHBB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5449697 RBFVTYZDBIBTGB-UHFFFAOYSA-N 406.394 3.991 5 40 HHBB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1[N+](=O)[O-] 12975196 CBMADXRHONDOFW-SFHVURJKSA-N 404.469 3.733 5 40 HHBB CC[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 72277137 IBPZEKDCRAUTCV-MSOLQXFVSA-N 403.504 3.666 5 40 HHBB CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224756975 QFTORDAKPILMDQ-UHFFFAOYSA-N 405.657 3.836 5 40 HHBB COc1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC(F)F 96014046 UFKAZAIEAXAOGJ-QGZVFWFLSA-N 414.405 3.626 5 40 HHBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3cccc4ccccc34)cc21 408542625 KAZBJIJPHZOARB-UHFFFAOYSA-N 422.466 3.669 5 40 HHBB COc1ccccc1-n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 38829165 QIKGOXDZFIUNKP-UHFFFAOYSA-N 423.472 3.952 5 40 HHBB CCCOc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC 2664606 UWBXVXPHWLQXPI-UHFFFAOYSA-N 403.387 3.616 5 40 HHBB CC(C)(C)c1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 40105322 UOCHXLYANJAGFD-UHFFFAOYSA-N 413.400 3.616 5 40 HHBB COc1ccc2c(c1OC)C(=O)N(c1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C2 2800240 WXMJBIOYUBGNIU-UHFFFAOYSA-N 412.320 3.714 5 40 HHBB CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224884499 GFPNIQFSZZUVTJ-UHFFFAOYSA-N 415.265 3.581 5 40 HHBB CN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409189099 CSHWHCQYNRWDRJ-XDHOZWIPSA-N 403.394 3.850 5 40 HHBB O=C1OCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(C(F)(F)F)c1 1429587 QHAWXEAHTAPFHY-HNNXBMFYSA-N 418.327 3.945 5 40 HHBB O=[N+]([O-])c1ccccc1SNc1ccc(S(=O)(=O)Nc2nccs2)cc1 3194621 WZOIQUWWTQYRHZ-UHFFFAOYSA-N 408.486 3.971 5 40 HHBB O=C1C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccc2ccccc2c1 5054940 YFVHFECFEFYPAO-JOCHJYFZSA-N 401.378 3.575 5 40 HHBB O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ccc([N+](=O)[O-])cc1 6445560 IMISBQGEQLYMKK-UHFFFAOYSA-N 416.484 3.502 5 40 HHBB COc1cc(OC)c(C2=CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)c(OC)c1 12771968 WCZPAMWATBCQCP-CMDGGOBGSA-N 424.453 3.950 5 40 HHBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2csc3ccccc23)CC1 12792304 JWVLABLMPQQZFN-MRXNPFEDSA-N 424.526 3.954 5 40 HHBB CCOc1ccc2nc(SCC(=O)NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 13134603 OLGUOHNOJNYAQW-UHFFFAOYSA-N 417.468 3.652 5 40 HHBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Sc2nccn2C)cc1 30530243 YOFOSTFFRMUAJW-UHFFFAOYSA-N 404.473 3.589 5 40 HHBB CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 31304562 GVFAGNBQNJJYFP-WBVHZDCISA-N 408.930 3.550 5 40 HHBB CCSc1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220422693 QRVRXNAQPJBJIJ-ZDUSSCGKSA-N 423.516 3.500 5 40 HHBB CC(C)Cn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 6417137 UFBYIZQQYSFBLE-UHFFFAOYSA-N 412.471 3.649 5 40 HHBB Cc1cc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)on1 8529262 OKCQEZMZWAHSNG-UHFFFAOYSA-N 413.352 3.870 5 40 HHBB CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 12554100 OAWBIJKIIQMAJN-VXGBXAGGSA-N 409.430 3.815 5 40 HHBB CCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br 12659364 BVKZBEYGESCQJO-WJDWOHSUSA-N 419.231 3.691 5 40 HHBB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 16044830 PTWGNSGHVDNVIM-JTQLQIEISA-N 418.862 3.614 5 40 HHBB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc([N+](=O)[O-])c1O 260759224 FIBWINWCTQEXCC-SSKCKEOISA-N 400.460 3.683 5 40 HHBB Cc1cccc(OCc2nn(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(=S)o2)c1 409166553 DABWHWOOKMOGNK-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3577829 FZCXXQLHECYXEN-UHFFFAOYSA-N 402.362 3.752 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 12535258 TWSAFYCGFRCCNR-MRXNPFEDSA-N 404.492 3.626 5 40 HHBB O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 16812346 NVOCBBZEFLGERI-FMIVXFBMSA-N 417.421 3.679 5 40 HHBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCC(C)CC1 408602056 ABMKZPUYLLTCET-FNORWQNLSA-N 415.446 3.708 5 40 HHBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ncc(Cl)cc1Cl 3257377 VRKPMTFYVCAPLL-UHFFFAOYSA-N 404.593 3.746 5 40 HHBB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3537429 KLGHUPMZEUEGBU-HSZRJFAPSA-N 401.422 3.785 5 40 HHBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C 12879377 YKIDKPRGMJDBFT-QGZVFWFLSA-N 410.474 3.501 5 40 HHBB Cc1ccccc1Cn1nc(C)c(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c1C 4873962 RSHYWYFHZIGJAI-UHFFFAOYSA-N 424.505 3.997 5 40 HHBB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 5518907 QPAULWLBZNRHRU-LBPRGKRZSA-N 413.459 3.816 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 6139221 HBWYDDYNIRXFGV-UHFFFAOYSA-N 411.867 3.531 5 40 HHBB O=C(COc1ccccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 7092484 BFUBZJVJQIETHM-UHFFFAOYSA-N 410.257 3.629 5 40 HHBB O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 10327340 GLRNHLATHDQKGA-UHFFFAOYSA-N 403.438 3.872 5 40 HHBB NC(=O)c1ccc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])c1 36398516 LVAKLXPRCNESQX-UHFFFAOYSA-N 400.822 3.872 5 40 HHBB Cc1cccc(C)c1N1C(=O)c2cccc3c(NCCO)c([N+](=O)[O-])cc(c23)C1=O 95470800 BMLLPVYHMJBJKO-UHFFFAOYSA-N 405.410 3.570 5 40 HHBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408683150 KNCSAPXQFIIWFU-SZVBFZGTSA-N 421.453 3.573 5 40 HHBB O=C(Nc1ccccc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccco1 2653560 VLADJYSEELZZCA-UHFFFAOYSA-N 424.365 3.664 5 40 HHBB COC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)OC)c1 4582331 YXVULHHLRKBYJX-UHFFFAOYSA-N 404.374 3.844 5 40 HHBB C[N+]12CCCC[C@H]1[C@@H](COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)CCC2 4028686 IDLJIYQNWQWRCQ-QFDPPKTOSA-N 415.554 3.740 5 40 HHBB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 6386301 ZCPKXKZNWISRRM-UHFFFAOYSA-N 406.851 3.724 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1Br 8433619 AKKKVKMCCDRXIC-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 28044847 PQGQTXCJEMEUBU-LLVKDONJSA-N 423.878 3.636 5 40 HHBB CC1(C)C[C@@H](n2[nH]c(=O)c3c2N=C(O)CS[C@@H]3c2ccc([N+](=O)[O-])cc2)CCO1 5862241 YBXIMSUDUZZIGS-XJKSGUPXSA-N 418.475 3.639 5 40 HHBB CC[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)Nc1nccs1 9971598 UXTZFAFGGVEWBT-ZDUSSCGKSA-N 418.504 3.839 5 40 HHBB CCc1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)O)n[nH]1 408630880 DMCQFUBEIQCIIO-DHDCSXOGSA-N 416.415 3.762 5 40 HHBB COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c13)O[C@H]1OC=C[C@H]21 13374565 MLCZRFXGJOUFHE-VERVWZFWSA-N 410.422 3.710 5 40 HHBB biogenic,in-vitro Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1C 787028 DOOVBUQIDSTVSI-GFCCVEGCSA-N 413.459 3.524 5 40 HHBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccccc2c1 6587885 IAPLLGIGJNIZBT-UHFFFAOYSA-N 406.427 3.675 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6970237 GSIDHJYBJZMBHM-BQYQJAHWSA-N 416.821 3.518 5 40 HHBB O=C(NCCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1cccc(O)c1 58264906 AEBNKYMSJVFAFN-UHFFFAOYSA-N 419.437 3.763 5 40 HHBB O=C(OCc1csc(Br)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 58940358 ARDRKPAFPXHBRF-UHFFFAOYSA-N 408.233 3.962 5 40 HHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225017106 WPAQSTCOAVBEQS-ROUUACIJSA-N 411.502 3.778 5 40 HHBB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1 408603379 GFMOWXGERXVGLA-SFHVURJKSA-N 415.471 3.991 5 40 HHBB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1 409204047 CBDBQTRNKZNFNY-VXPUYCOJSA-N 412.427 3.928 5 40 HHBB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409356579 HTIZRTLAPFJPOZ-DHDCSXOGSA-N 401.400 3.847 5 40 HHBB CC(C)Oc1cccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 6345982 UZGUUXZHEBRLSO-UHFFFAOYSA-N 403.866 3.998 5 40 HHBB CC(C)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Nc2ccccc2)cc1 8720376 QFGOJOMHQREVSF-UHFFFAOYSA-N 406.442 3.942 5 40 HHBB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)O[C@@H](C)C2 12560463 DWDQSFQXWFUSKA-JTQLQIEISA-N 412.851 3.771 5 40 HHBB Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 26780120 CDFVNNVDVWLJPP-UHFFFAOYSA-N 418.475 3.722 5 40 HHBB Cc1oc(-c2ccccc2)nc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 5537014 KNHWFRJVSHFKFK-UHFFFAOYSA-N 406.354 3.965 5 40 HHBB CC1(C)C[C@@H](n2[nH]c(=O)c3c2N=C(O)CS[C@H]3c2ccc([N+](=O)[O-])cc2)CCO1 5862217 YBXIMSUDUZZIGS-BBRMVZONSA-N 418.475 3.639 5 40 HHBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1cccc([N+](=O)[O-])c1 9404449 SAESTGIWBFDNOA-UHFFFAOYSA-N 411.399 3.688 5 40 HHBB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1[N+](=O)[O-] 40074443 CPFDFOTZYVOWNR-UHFFFAOYSA-N 404.444 3.572 5 40 HHBB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 6104120 ORJAXTJGNAEPGO-OAHLLOKOSA-N 418.471 3.515 5 40 HHBB C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccc(F)c(F)c1 11396306 IEXKNSGNYXEVLS-ZDUSSCGKSA-N 418.396 3.904 5 40 HHBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 21481663 ZNXBEPVWXAKSOS-MRXNPFEDSA-N 423.347 3.588 5 40 HHBB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 22906594 GEZOIDAMOKKTTI-QFIPXVFZSA-N 402.454 3.519 5 40 HHBB NC(=O)[C@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@@H]1c1ccccc1[N+](=O)[O-] 39356294 KPVCUXKOJPSNDL-CRAIPNDOSA-N 401.831 3.824 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 100037537 HNEZKHXMXZGDLP-UHFFFAOYSA-N 422.309 3.673 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@@H]2C1 408677659 DWRYHWBAQMNRIT-GDBMZVCRSA-N 423.400 3.832 5 40 HHBB O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 2711836 FLQSTOJGVDUXDN-UHFFFAOYSA-N 411.892 3.542 5 40 HHBB Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 3014064 WDKVYAQXYKUSQQ-UHFFFAOYSA-N 412.423 3.923 5 40 HHBB COc1cc(/C=C2/SC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3208904 NICKPKJTMSTIRI-VIZOYTHASA-N 417.355 3.628 5 40 HHBB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 9829254 GWGIXWHWNOECCZ-UHFFFAOYSA-N 419.802 3.503 5 40 HHBB O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 10475604 MWZHXYNKVFZPIA-UHFFFAOYSA-N 403.851 3.688 5 40 HHBB CCn1nc(C)cc1C(=O)O[C@@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 96013373 PSDGMDWBHGJYIB-HNNXBMFYSA-N 410.268 3.927 5 40 HHBB CCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 408585698 HJAIULKKCGXNRL-UHFFFAOYSA-N 408.204 3.796 5 40 HHBB COc1cc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 6126894 NTTBPUNGGYCFNI-UHFFFAOYSA-N 415.427 3.996 5 40 HHBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 408917799 BFSYIJBPRAYIAC-CXUHLZMHSA-N 415.383 3.748 5 40 HHBB O=C(NCc1ccc(-n2cccn2)nc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 12522981 RDIUQAMYTXASQC-UHFFFAOYSA-N 414.425 3.849 5 40 HHBB COc1cc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-] 5127742 ZMMYSTNDDVRART-VMPITWQZSA-N 404.806 3.760 5 40 HHBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 223637249 KFNLUGQQQXLCFT-WOJBJXKFSA-N 424.482 3.605 5 40 HHBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223564520 GHBJHYQVNQSXNJ-FQEVSTJZSA-N 411.502 3.861 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1ccc(C(=O)O)o1 226353923 KWMNWPQHGIJVNO-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cccc([N+](=O)[O-])c1 14409755 CTLVKAFBCNNJEV-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB Cc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1[N+](=O)[O-] 19959021 ALBFSFFYPLPMOV-UHFFFAOYSA-N 413.437 3.560 5 40 HHBB Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)n1C[C@@H]1CCCO1 4822056 DJCXYSDXLAKVNG-BBVFFXRHSA-N 412.442 3.631 5 40 HHBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 6478257 HOXNXWKARGSWSL-UHFFFAOYSA-N 408.443 3.939 5 40 HHBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCCOc1ccccc1F 6740917 WJGDTHQICPITTG-NSHDSACASA-N 415.343 3.748 5 40 HHBB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 9426104 ILFZIBQGZMLDOL-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(C)n(CC(F)(F)F)c1C 16405912 AFYUEDQWBAFVIZ-UHFFFAOYSA-N 413.352 3.679 5 40 HHBB COc1ccccc1-c1cc(-c2ccccc2OC)n(Cn2ccc([N+](=O)[O-])n2)n1 2733454 FUNOVOJUGLZWSD-UHFFFAOYSA-N 405.414 3.845 5 40 HHBB COc1cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c([N+](=O)[O-])cc1OC 26320139 FWDLIZPAPSHWBR-UHFFFAOYSA-N 401.419 3.849 5 40 HHBB Cc1cccc(NC2=N[C@H](c3cc([N+](=O)[O-])ccc3Cl)n3c(nc(C)cc3=O)N2)c1 104017313 JNHNEMVTCYXZKY-SFHVURJKSA-N 424.848 3.862 5 40 HHBB COc1cc(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc(OC)c1 36412980 LYWWTPLDUADDSN-UHFFFAOYSA-N 414.458 3.803 5 40 HHBB COC(=O)c1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)c([N+](=O)[O-])c1 12865196 HGTWYRXJBUUPBD-UHFFFAOYSA-N 413.407 3.816 5 40 HHBB C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C1 5487297 LDBQBHPUVKAVTG-IAGOWNOFSA-N 424.549 3.908 5 40 HHBB O=C(CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(F)c(F)c1F 9376989 YDYISKBSQTYESS-UHFFFAOYSA-N 419.315 3.641 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 1359725 MLWWEFACDQUCLD-UHFFFAOYSA-N 420.450 3.735 5 40 HHBB O=c1c2c3c(sc2nc2c4ccccc4c(N4CCOCC4)nn12)CCCCC3 719364 JWTWCANTURADLD-UHFFFAOYSA-N 406.511 3.563 5 40 HHBB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222415515 ZKNBWNBWDUJPGH-FQEVSTJZSA-N 411.502 3.778 5 40 HHBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc[nH]n1 32913692 WEZFOGAHPIMEDT-INIZCTEOSA-N 400.778 3.508 5 40 HHBB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2251765 LFEPLMKZOTYFFP-GDBMZVCRSA-N 403.460 3.585 5 40 HHBB O=[N+]([O-])c1cnn(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)c1 2787791 AOHPHDHOXUMCRA-UHFFFAOYSA-N 421.442 3.631 5 40 HHBB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4198936 AWCVOBZWLNMCIF-UHFFFAOYSA-N 414.439 3.962 5 40 HHBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 9903911 SDEVZNKPZIPHKH-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1sc2nc(CSCc3cc([N+](=O)[O-])cc4c3OCOC4)[nH]c(=O)c2c1C 13112909 BJICEHAXGDOUAU-UHFFFAOYSA-N 419.484 3.810 5 40 HHBB COCCN(Cc1ccco1)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 25095050 XEZRFRNPOCQSLO-UHFFFAOYSA-N 401.463 3.713 5 40 HHBB COc1cc(Cl)c(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4895691 KKLGOILQNCICMF-UHFFFAOYSA-N 405.838 3.654 5 40 HHBB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223517683 ZTKPTVFJXLAETI-SFHVURJKSA-N 411.502 3.513 5 40 HHBB CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 225564527 GKICOCOSJUXWNC-UHFFFAOYSA-N 414.458 3.697 5 40 HHBB Cc1cc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)ccc1[N+](=O)[O-] 15787659 KXGMKXRUMWOURI-UHFFFAOYSA-N 415.318 3.561 5 40 HHBB COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc(C)c1C 1102498 BRTFREMNCHBMJP-UHFFFAOYSA-N 414.443 3.557 5 40 HHBB O=c1c2oc3ccccc3c2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 4359006 SBLVMKZTIFMKHM-UHFFFAOYSA-N 413.389 3.855 5 40 HHBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2Cl)CC1 6045442 PVNISVBGZLINDB-UHFFFAOYSA-N 414.893 3.811 5 40 HHBB O=C(CCCc1nc2ccccc2s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 6831229 MCWVHTIMDKXLPG-UHFFFAOYSA-N 410.499 3.876 5 40 HHBB CCc1ccc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1[N+](=O)[O-] 8484292 NTLFMJUQQDADSH-OVCLIPMQSA-N 412.398 3.528 5 40 HHBB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 8767297 AXIIBQKSUSBZNW-MRXNPFEDSA-N 420.853 3.819 5 40 HHBB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] 24238148 DNYMGKJVEBOMBM-UHFFFAOYSA-N 415.837 3.929 5 40 HHBB CN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1)S(C)(=O)=O 222517877 QPAZXQPEYYGQCU-UHFFFAOYSA-N 418.258 3.550 5 40 HHBB COC(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc([N+](=O)[O-])c1 10899306 GNJORRRXTZEVLV-UHFFFAOYSA-N 411.458 3.644 5 40 HHBB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3546122 LUAZFZXAKJZNKI-LLVKDONJSA-N 403.851 3.948 5 40 HHBB COc1ccc(-c2nc(COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cs2)cc1OC 5228839 UKKZSRMAJPNUPG-UHFFFAOYSA-N 415.427 3.675 5 40 HHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225097221 IOSAZNLXAWGWSQ-MSOLQXFVSA-N 411.502 3.778 5 40 HHBB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 95909131 NOMVSDQTOAIXOV-BZSNNMDCSA-N 415.833 3.503 5 40 HHBB COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Br 16283154 PDEPWQKFVTVPAU-UHFFFAOYSA-N 424.276 3.801 5 40 HHBB O=C(Cc1cc2c(cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C2=O)c1cccs1 653844272 IDJUKOINTOKMDF-UHFFFAOYSA-N 406.419 3.878 5 40 HHBB Cc1nn(-c2c([N+](=O)[O-])c(C)nn2C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] 4593991 AZLQUFLNCQTHSA-UHFFFAOYSA-N 400.439 3.736 5 40 HHBB O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)c1ccccc1 6343993 MOPDJWNADUEJMP-UHFFFAOYSA-N 400.441 3.674 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 9518923 SWTKATWMEYSKDC-UHFFFAOYSA-N 416.484 3.673 5 40 HHBB CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57669475 FXRXZLMQLAVMRC-FQEVSTJZSA-N 413.526 3.750 5 40 HHBB Cc1csc(N(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 3327493 SPELJMMHADSFPK-UHFFFAOYSA-N 410.455 3.845 5 40 HHBB Cc1nc(-c2cccc(CNC(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c2)n[nH]1 89497144 YHYCGUXWEVOQML-UHFFFAOYSA-N 403.398 3.878 5 40 HHBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1cc(=O)n2c(n1)sc1ccccc12 32859682 QYGNPSUKKFULOW-MDZDMXLPSA-N 407.407 3.574 5 40 HHBB Cc1cc(I)cnc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 32125383 VZKQBXIMZNKXBV-UHFFFAOYSA-N 417.590 3.809 5 40 HHBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccs1 12377267 QDPJYAYRFCCQLN-NRFANRHFSA-N 408.435 3.664 5 40 HHBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cc2c(cc1Cl)OCO2 4472040 GMPVNWMIINZNFB-DXNYSGJVSA-N 407.165 3.975 5 40 HHBB O=C(NCc1ccccc1)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 1212818 ZQGVUXCENCFYJA-HKWRFOASSA-N 401.422 3.682 5 40 HHBB CCOc1ccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 7160113 LSMDGXDCFOCDCD-UHFFFAOYSA-N 412.320 3.808 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20061482 ISRPQFATDUKMGO-UHFFFAOYSA-N 423.878 3.593 5 40 HHBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 57316857 KNOLYXYGRWAQPU-UHFFFAOYSA-N 410.474 3.542 5 40 HHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225056866 VKLJUGHZFGNBSP-ROUUACIJSA-N 411.502 3.778 5 40 HHBB Cc1ccc(C)n1N(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1 408684809 ODQXZWTYQAATKC-UHFFFAOYSA-N 422.397 3.583 5 40 HHBB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1[N+](=O)[O-] 1224420 OURIGDOXRDUNGK-UHFFFAOYSA-N 420.454 3.763 5 40 HHBB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24752579 RYVGYCRZUZNZEI-INIZCTEOSA-N 417.462 3.537 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(c1nncs1)C3=O 1889708 KSQVSEWLFCYZJW-MRXNPFEDSA-N 420.406 3.611 5 40 HHBB O=C(c1ccc(OCC(F)(F)F)nc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 72295984 QDAOCLNLCBLODQ-MRXNPFEDSA-N 413.377 3.819 5 40 HHBB O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cc2c(=O)n3ccccc3nc2s1 6865104 PXQMGLLKZSPYPR-UHFFFAOYSA-N 400.803 3.723 5 40 HHBB Cc1cc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 22257342 AOTKYYJGRBDETN-UHFFFAOYSA-N 416.821 3.644 5 40 HHBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 260783860 UJEHBRXHYJFQQI-HQOQDVMHSA-N 414.487 3.986 5 40 HHBB O=C(O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 5197236 OBVMKEAMSWJLPN-UHFFFAOYSA-N 405.366 3.798 5 40 HHBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCc1ccco1 8792123 MWWRMDQOQVGRFT-UHFFFAOYSA-N 423.428 3.880 5 40 HHBB biogenic O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NCc1cccnc1 12849510 VHUOYPFJOAMHQB-UHFFFAOYSA-N 422.397 3.939 5 40 HHBB COc1cc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] 219826062 JXAKYQDDRXOXIO-UHFFFAOYSA-N 402.447 3.518 5 40 HHBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2ccccc2o1 6479956 ZQNAWIBTRJSXSS-UHFFFAOYSA-N 409.427 3.867 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Nc1ccc2c(c1)OCO2 6552324 PYCIQQGVEBQRHQ-UHFFFAOYSA-N 419.459 3.632 5 40 HHBB COc1ccc(-c2nnc(Sc3ncccc3[N+](=O)[O-])n2C[C@H]2CCCO2)cc1 7186340 KGDHQRPGXMTIGR-OAHLLOKOSA-N 413.459 3.587 5 40 HHBB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 8880787 WIINJYBMPCTFSW-MRXNPFEDSA-N 420.347 3.880 5 40 HHBB CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21 9424526 GCWFECZNEBEYTI-RGEXLXHISA-N 424.416 3.811 5 40 HHBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 9561745 WPUVDZGTMVKKBI-INIZCTEOSA-N 420.347 3.880 5 40 HHBB CCOc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] 10010568 VHCGRQFMMJBWEA-UHFFFAOYSA-N 418.387 3.772 5 40 HHBB Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)Nc3ncc([N+](=O)[O-])s3)cc12 12321389 YYGOCIVHNRMCPV-UHFFFAOYSA-N 417.443 3.825 5 40 HHBB biogenic CSc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2ccc[nH]2)cc1[N+](=O)[O-] 12682305 WACSACZYABDMTF-UHFFFAOYSA-N 424.434 3.916 5 40 HHBB Cc1ccc(N2C(=O)c3cccc4c(NCCO)c([N+](=O)[O-])cc(c34)C2=O)cc1C 95470804 FXRAJGRJJZTADU-UHFFFAOYSA-N 405.410 3.570 5 40 HHBB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc([N+](=O)[O-])cc1Br 107549334 FYOHVMXQEGLVRU-SRVKXCTJSA-N 411.252 3.665 5 40 HHBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222637735 NKAMRXADMLEZJO-LBPRGKRZSA-N 424.284 3.607 5 40 HHBB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223048021 QBNQWLMUFAENLE-SFHVURJKSA-N 411.502 3.779 5 40 HHBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)CC1 409356868 HTRZQOVKEYIBGS-DHDCSXOGSA-N 423.878 3.543 5 40 HHBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnc(C)cn2)c2ccccc2)c([N+](=O)[O-])c1 7536772 RBNKYSYDAJPSFH-IBGZPJMESA-N 406.398 3.538 5 40 HHBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccco1 2402048 PEORPRDLMONSBW-UHFFFAOYSA-N 417.469 3.671 5 40 HHBB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)c1C 25993582 NRKBYAVMNWQPMW-UHFFFAOYSA-N 408.414 3.826 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 210809222 WGSYWJYYYNHTOP-OQLLNIDSSA-N 417.830 3.923 5 40 HHBB C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])(c2ccccc2)CC1 1644055236 NRSGEJBQESMNGB-KRWDZBQOSA-N 407.470 3.518 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCc3ccccc32)ccc1O 31535059 ZZUHYXMLXWFSNY-UHFFFAOYSA-N 411.439 3.795 5 40 HHBB Cc1nc([N+](=O)[O-])c(N2CCN(Cc3ccc(F)cc3)CC2)n1Cc1ccccc1 57384783 ZEDLJCVKVJSAQV-UHFFFAOYSA-N 409.465 3.609 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10330834 VCDBUQOAPSRDGP-UHFFFAOYSA-N 419.503 3.605 5 40 HHBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCCC1 218509628 HDYUYYHZXKHMMV-UHFFFAOYSA-N 423.878 3.593 5 40 HHBB Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] 40152752 QXAUPGGWHDBAKL-GOSISDBHSA-N 403.385 3.815 5 40 HHBB COC(=O)c1cn(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc12 226368161 RNKRBAZKMHDCIE-UHFFFAOYSA-N 403.188 3.787 5 40 HHBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2Cc2ccco2)cc1 2361982 SBTKNBBLUFSKBO-UHFFFAOYSA-N 413.433 3.565 5 40 HHBB O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(F)c1 8970422 PQSPEOQLYKONRC-UHFFFAOYSA-N 402.432 3.984 5 40 HHBB Cc1cc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1C 5668550 UFHMSDYFBPMCBK-UHFFFAOYSA-N 410.348 3.955 5 40 HHBB Cc1ccnc2nc(C(=O)Nc3c4ccccc4n4c(C)nc5ccccc5c34)nn12 12522343 BQWCDLGDQAACCS-UHFFFAOYSA-N 407.437 3.948 5 40 HHBB Cc1cc(C)cc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 13960335 TVGGSYRIBDYTRP-YRPNKDGESA-N 408.410 3.671 5 40 HHBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)C(c1ccccc1)c1ccccc1 35274168 HDJOTDUAXZLCTL-UHFFFAOYSA-N 407.451 3.946 5 40 HHBB CC(C)NC(=O)CN1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 40135240 YBBXIPLDIBTGGZ-UHFFFAOYSA-N 422.835 3.668 5 40 HHBB Cc1nc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Br 96957114 UDGBAKSEVKZBEY-UHFFFAOYSA-N 405.252 3.913 5 40 HHBB O=C(c1ccccc1)[C@@H]1C(c2ccc([N+](=O)[O-])cc2)=NO[C@]12C(=O)Nc1ccccc12 102898687 JHWGXAQPUPVFDH-CVDCTZTESA-N 413.389 3.676 5 40 HHBB CN1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 216930030 QEELOWIQIAJSJP-UHFFFAOYSA-N 403.866 3.651 5 40 HHBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223035418 GBRFQFSIFFIXIZ-PMACEKPBSA-N 424.482 3.869 5 40 HHBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223241327 UOCLRQJMGLGQCU-MRXNPFEDSA-N 415.465 3.610 5 40 HHBB Cc1ccc(OCc2n[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 2661995 OEYKEIRSQJBBRI-UHFFFAOYSA-N 414.443 3.759 5 40 HHBB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cc([N+](=O)[O-])ccc1Cl 6882629 NREAEXBLMZODMU-UHFFFAOYSA-N 400.807 3.667 5 40 HHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1 17094120 YGSGBHXUXWCPFF-UHFFFAOYSA-N 424.804 3.800 5 40 HHBB COc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1OC1CCCC1 24507211 HBDDXWLNGXSDHS-UHFFFAOYSA-N 423.429 3.758 5 40 HHBB COc1ccc(OC)c([C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2cnn(C)c2)c1 58378405 JYIKLHLITZFABB-AWEZNQCLSA-N 410.430 3.754 5 40 HHBB CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 59474792 CSWJIDDYYKKCRC-UHFFFAOYSA-N 402.457 3.894 5 40 HHBB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224757530 CZFZLMYVMUOGTD-UHFFFAOYSA-N 403.229 3.712 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 409366141 ZAQJABIKYJXUHG-LZYBPNLTSA-N 418.814 3.873 5 40 HHBB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 7881895 UHGLADWRDJJSEU-GFCCVEGCSA-N 403.822 3.557 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2nc3ccccc3n2C(F)F)c1C 24752412 WRECRMVWHTVGTK-UHFFFAOYSA-N 424.429 3.777 5 40 HHBB Cc1cc(C(=O)NCC(=O)N2CCC(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] 11453485 RDHQRZFJCWYWCC-UHFFFAOYSA-N 409.486 3.504 5 40 HHBB CS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1 20104211 KXVZCCCZMAYSLR-UHFFFAOYSA-N 404.231 3.525 5 40 HHBB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224787445 QBJHLBHTMWFREJ-UHFFFAOYSA-N 412.851 3.558 5 40 HHBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 36046383 LYWWNMYPMMYEHO-BFQNTYOBSA-N 401.492 3.780 5 40 HHBB Cc1cc(C)c(C)c(Oc2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 103155236 WFXIMDQQONVABX-QCFAMHMHSA-N 422.437 3.979 5 40 HHBB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3241095 BKUFBMOZXHNWKD-UHFFFAOYSA-N 404.593 3.746 5 40 HHBB O=C(CCC(=O)c1ccc(Cl)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3321106 QGBWPMWWYXFGML-UHFFFAOYSA-N 405.790 3.821 5 40 HHBB COC(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 12760209 ASLNQUNHDLNBKA-UHFFFAOYSA-N 419.436 3.878 5 40 HHBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 409098065 NFQZDDZLQQEUOK-LKBVRNOZSA-N 416.411 3.761 5 40 HHBB COc1cccc(-c2ccc3nnc(SCC(=O)c4cccc([N+](=O)[O-])c4)n3n2)c1 9829149 QTBIDFAHWYQKMF-UHFFFAOYSA-N 421.438 3.683 5 40 HHBB O=C(NCc1cccnc1OC1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 40089461 IXSFCILARQTHKK-UHFFFAOYSA-N 410.474 3.841 5 40 HHBB CCCCNC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 6623367 OREOWWASHWDKAQ-UHFFFAOYSA-N 406.464 3.626 5 40 HHBB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 8413015 IAZIZLJPFUTSMV-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 12857098 FBZIZTMCNUDOBV-UHFFFAOYSA-N 412.427 3.556 5 40 HHBB COc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1[N+](=O)[O-] 6616559 LVYKFFZIJMIJCV-KRWDZBQOSA-N 402.476 3.860 5 40 HHBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 15356980 QJNSCGGWXXUQKS-ORMMXULVSA-N 419.275 3.925 5 40 HHBB CC1(C)C[C@H](N)C[C@@](C)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 4284107 RXZUTZHCCRCZKR-MEDUHNTESA-N 423.457 3.844 5 40 HHBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccc(F)cc3s2)CC1 5181309 VIMYETSFSFEASR-BAQGIRSFSA-N 412.446 3.706 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@H]2C1 102075857 POIAQCMMXQUSHM-MOPGFXCFSA-N 406.394 3.660 5 40 HHBB COc1cc(/C=C2/N=C(c3ccc(C(F)(F)F)cc3)OC2=O)c([N+](=O)[O-])cc1OC 2658186 MTXILTZFKCWCJA-NTUHNPAUSA-N 422.315 3.975 5 40 HHBB CS(=O)(=O)c1ccc(N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 5688326 MBABAOFVSFPZAP-HNNXBMFYSA-N 403.485 3.950 5 40 HHBB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1C[C@@H]1COc2ccccc2O1 9511995 IVJFAHSUYYAAEV-MRXNPFEDSA-N 423.425 3.510 5 40 HHBB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 9540045 FWOARJQHNFDVHY-MRXNPFEDSA-N 420.347 3.880 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 16429265 LHSNUCLMQQWRTJ-UHFFFAOYSA-N 422.875 3.750 5 40 HHBB Cc1ccc(-c2nc3c4ccccc4n(Cc4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 65534910 JFQNQYRZMGFFMP-UHFFFAOYSA-N 411.421 3.976 5 40 HHBB CCCOC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)ccc1Cl 409177623 GZQKCFMZAOWJPG-UHFFFAOYSA-N 409.851 3.941 5 40 HHBB O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(Br)cc1 3176945 ZVFPSSGBGGKWTE-QPEQYQDCSA-N 406.623 3.928 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1[N+](=O)[O-] 4130181 LBWUIFMZTMLOAC-RNODOKPDSA-N 413.503 3.994 5 40 HHBB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 5429421 RHJFLIHVPARTSE-CQSZACIVSA-N 413.426 3.861 5 40 HHBB O=C(OCC(=O)c1ccc(OC(F)F)cc1OC(F)F)c1ccc([N+](=O)[O-])cc1 9465295 OSMFWYRTSSVLPV-UHFFFAOYSA-N 417.267 3.837 5 40 HHBB O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13100524 TUNMRYNNCCBSAT-UHFFFAOYSA-N 418.711 3.768 5 40 HHBB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 20609999 SMERRBBURAWODF-UHFFFAOYSA-N 403.398 3.655 5 40 HHBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 222649586 QVZQQMKIKMUKGH-ZUSMLRIVSA-N 414.487 3.986 5 40 HHBB CC(C)n1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cc21 524729495 VUJDIIUWWYLJAZ-MAUKXSAKSA-N 420.469 3.552 5 40 HHBB biogenic COCCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c(C)c(C)sc12 2362687 VSCJRSAFQVZUPS-UHFFFAOYSA-N 422.466 3.771 5 40 HHBB CC(=O)Oc1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1 5236129 UTZWYMGISAQBEP-UHFFFAOYSA-N 414.421 3.985 5 40 HHBB CCN1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 6241910 XALGVKAQAFTXPC-UHFFFAOYSA-N 402.882 3.951 5 40 HHBB O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 13070431 ZVBXNDPUGBGVDB-UHFFFAOYSA-N 408.502 3.938 5 40 HHBB CCCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257545 SEKMCVSHZHHRHM-UHFFFAOYSA-N 416.459 3.832 5 40 HHBB Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(F)(F)F 78968456 SMWRDIUCFWJDGN-NHYWBVRUSA-N 416.425 3.846 5 40 HHBB Nc1nc(NCc2ccco2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 5111930 VBEQVIDGXMHRDH-UHFFFAOYSA-N 408.462 3.631 5 40 HHBB Cc1csc(Sc2ccc(C(=O)NCCc3ccccn3)cc2[N+](=O)[O-])n1 5689651 SXAGPKRBPOBMHL-UHFFFAOYSA-N 400.485 3.878 5 40 HHBB COc1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)ccc1OC(F)F 8825303 HZEHPCXUSVCFAB-XYOKQWHBSA-N 415.352 3.859 5 40 HHBB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 16491416 CORLEGKEIPALGR-UHFFFAOYSA-N 417.487 3.557 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 409007317 PGFWRLRTDWVIBG-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)c2ccccc2)c([N+](=O)[O-])c1 409368866 QJXRRPOQVKCTRW-FHQLIMNDSA-N 416.433 3.999 5 40 HHBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)cc(OC)c1 2426088 VAYRXMPMOKJSSH-UHFFFAOYSA-N 415.453 3.711 5 40 HHBB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1[N+](=O)[O-] 4837945 RFPAUIZULYKGDQ-UHFFFAOYSA-N 403.398 3.980 5 40 HHBB CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 5429419 RHJFLIHVPARTSE-AWEZNQCLSA-N 413.426 3.861 5 40 HHBB CCOc1ccc2[nH]c3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nnc3c2c1 12707514 ODMWHVKOJVYUKA-UHFFFAOYSA-N 424.442 3.544 5 40 HHBB CCCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC 32115168 CFEILSLENDLSCX-UHFFFAOYSA-N 416.390 3.893 5 40 HHBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 21481665 ZNXBEPVWXAKSOS-INIZCTEOSA-N 423.347 3.588 5 40 HHBB O=c1[nH]c(/C=C/c2ccccc2OCc2cccc3ccccc23)c([N+](=O)[O-])c(=O)[nH]1 6496660 MAHKWQDSQBBRBV-OUKQBFOZSA-N 415.405 3.874 5 40 HHBB CC1CCN(c2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2[N+](=O)[O-])CC1 18104001 CXKGITDMBBETSQ-UHFFFAOYSA-N 415.519 3.528 5 40 HHBB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 8417245 TYBAUMBZTMVJRZ-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB C[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6995417 YFTHUAZRKLSVEE-JTQLQIEISA-N 413.213 3.851 5 40 HHBB CC[C@H]1[C@H](c2ccc(C)cc2)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 72302490 RTFLAUUSHRIVRE-ROUUACIJSA-N 403.504 3.584 5 40 HHBB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)ccc1[N+](=O)[O-] 89591367 CEYCYSMESBSZBG-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 409154439 OKQFSXJGGRCNOO-MHWRWJLKSA-N 411.439 3.887 5 40 HHBB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c([N+](=O)[O-])cc1OC 222565529 RKDFNWFYSMGGEV-UZCIPKQKSA-N 400.460 3.596 5 40 HHBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC(C)(C)NC2(C)C 4275295 FMOBBALRLKURAI-UHFFFAOYSA-N 421.475 3.838 5 40 HHBB CCc1c(C(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccc([N+](=O)[O-])cc1 32934207 CGLOBVDCJHVCFG-UHFFFAOYSA-N 406.446 3.590 5 40 HHBB O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cccs1 24460907 ZNHFMXWMJJQSSF-UHFFFAOYSA-N 409.427 3.673 5 40 HHBB O=C(Nc1cc(-n2cccn2)c(F)cc1[N+](=O)[O-])c1ccccc1Br 12854776 JDEMOBXVPSOHPW-UHFFFAOYSA-N 405.183 3.934 5 40 HHBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3ccc4ccccc4c3)cc21 408541525 BWGKVCOBJZGKFE-UHFFFAOYSA-N 422.466 3.669 5 40 HHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 43730802 LTSSNJKYSUGPMN-LQNXUBFPSA-N 417.421 3.564 5 40 HHBB Cc1cc(Nc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])ccc1Br 16282223 OIVDLKSZGKWOMM-UHFFFAOYSA-N 424.642 3.882 5 40 HHBB O=C1CC2(CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)Oc2ccccc21 4505562 NFQWVUCXBBEMOK-UHFFFAOYSA-N 400.818 3.888 5 40 HHBB O=[N+]([O-])/C(=C\Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1 6088282 KMBOVVMOLHXDSL-RIYZIHGNSA-N 419.203 3.689 5 40 HHBB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16284389 UGTHBRIJSNYHLC-UHFFFAOYSA-N 418.369 3.798 5 40 HHBB Cc1c(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cccc1[N+](=O)[O-] 17091025 PGPPDMINRLONGI-UHFFFAOYSA-N 417.428 3.548 5 40 HHBB O=C(O)/C(=C/c1cc([N+](=O)[O-])ccc1O)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633739 LWKVYDXBLNHCNS-ZSOIEALJSA-N 418.818 3.957 5 40 HHBB Cc1c(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cccc1[N+](=O)[O-] 20611550 DCZODYZYPREQKC-UHFFFAOYSA-N 420.263 3.755 5 40 HHBB CC(C)c1ccc(C(=O)N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 29079561 GDPTUYJYERSNEE-IZZDOVSWSA-N 407.470 3.716 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 409163062 LJKAEFNOBKSFOX-OVCLIPMQSA-N 417.830 3.923 5 40 HHBB Cc1ccc(NC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 16293114 VSUAPFHOFXSQRB-UHFFFAOYSA-N 418.456 3.837 5 40 HHBB CC[C@H](C)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 635587 UHUILKIIRLLYKW-YJBOKZPZSA-N 424.453 3.887 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 6453802 DBCYELWPIWOYFV-UHFFFAOYSA-N 413.213 3.635 5 40 HHBB Cc1ccc(S(=O)(=O)NCCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 4688277 WZPPWHWAIJCAGY-UHFFFAOYSA-N 417.409 3.703 5 40 HHBB COc1ccc(-c2noc(CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 9095259 QZJNXTJRNWXSBP-UHFFFAOYSA-N 410.430 3.633 5 40 HHBB in-vitro O=C(OCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32823676 XORKFIWFTNIAJP-UHFFFAOYSA-N 410.348 3.807 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C 4946956 VNEOAPSULHHHTP-UHFFFAOYSA-N 401.423 3.569 5 40 HHBB CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8782981 GUFSHTOIIPHZRF-UHFFFAOYSA-N 413.474 3.778 5 40 HHBB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 103155517 UOTQFAQAAWCIGH-TVFCKZIOSA-N 414.801 3.707 5 40 HHBB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2251764 LFEPLMKZOTYFFP-GOEBONIOSA-N 403.460 3.585 5 40 HHBB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)cc1c32 2231111 APVHFBAPQJMYCA-RMKNXTFCSA-N 418.405 3.938 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 13763412 KWIXCEPPKLVGRU-SFQUDFHCSA-N 422.353 3.506 5 40 HHBB Cc1ccc(OCc2cccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)c2)c([N+](=O)[O-])c1 13960380 CRWIWYOQBWEPNO-GOSISDBHSA-N 423.347 3.565 5 40 HHBB O=C(c1cccnc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 17090122 ZCTSVCDMTAWDBC-UHFFFAOYSA-N 414.771 3.624 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2C)o1 8571646 SVXZUHOTEOFONT-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc21 12585689 NDMFBUDFQVFLRB-LLVKDONJSA-N 402.838 3.596 5 40 HHBB COc1cc(CSc2nnnn2-c2cccc(C)c2)c([N+](=O)[O-])cc1OC(F)F 12698428 DAYBYQJFHOTDNV-UHFFFAOYSA-N 423.401 3.781 5 40 HHBB O=C(/C=C/c1ccc(Br)o1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 13129630 NVFPUTNVFZMVLP-SOFGYWHQSA-N 420.175 3.757 5 40 HHBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 17156747 ZZEXMMZLIBWADX-UHFFFAOYSA-N 422.422 3.624 5 40 HHBB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1nc2ccc([N+](=O)[O-])cc2s1 23249397 CJUVRNOXKXKDFW-UHFFFAOYSA-N 412.456 3.720 5 40 HHBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 46069511 RCORGQXYOLNINH-CHWSQXEVSA-N 402.426 3.642 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408639679 GUBSGVNYNSHUOC-JTQLQIEISA-N 424.240 3.902 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 409151802 HPCBFLPSONDKSQ-UHFFFAOYSA-N 413.459 3.618 5 40 HHBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccccc1OC(F)F 3284874 KINNCRCYZMRQGJ-UHFFFAOYSA-N 400.721 3.645 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1ccccc1 13006570 GKOPWPSUUWULTA-IBGZPJMESA-N 400.481 3.993 5 40 HHBB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 17368228 KMRBGXPANPRVGI-UHFFFAOYSA-N 407.474 3.824 5 40 HHBB Cc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc(C(C)C)c1 7239002 KFNZONRTCVCTHE-UHFFFAOYSA-N 420.487 3.840 5 40 HHBB C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 31382322 JZDNPAIUWFNQQV-QGZVFWFLSA-N 417.465 3.661 5 40 HHBB CCc1cccc(C)c1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222363529 BCNCSRTUGPDWRL-UHFFFAOYSA-N 419.503 3.651 5 40 HHBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17092437 BBGPJLLHHQRDKA-UHFFFAOYSA-N 420.809 3.554 5 40 HHBB COc1ccc(OC)c(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)c1 408534274 URTYIVCLEMDILL-UHFFFAOYSA-N 415.789 3.942 5 40 HHBB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O 222570295 FIBWINWCTQEXCC-GOPGUHFVSA-N 400.460 3.683 5 40 HHBB Cc1cc(I)cnc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 6572462 NIGNABAUGWPVLT-AATRIKPKSA-N 409.183 3.555 5 40 HHBB Cc1cc(C)cc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 6963396 QAFNPTYZSJMFCL-UHFFFAOYSA-N 403.866 3.593 5 40 HHBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCCC2 1903802 FEJPEMCFGPDCRX-UHFFFAOYSA-N 419.415 3.872 5 40 HHBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 2220094 JBGBYLLLHMNPRZ-UHFFFAOYSA-N 413.481 3.574 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 26780025 FGXDHHNZGJVTDY-UHFFFAOYSA-N 424.866 3.677 5 40 HHBB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 7108153 VQKVUXMXWPESEE-UHFFFAOYSA-N 418.833 3.659 5 40 HHBB CN1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 408629324 XAYLFBGAHOTARV-VMPITWQZSA-N 400.866 3.652 5 40 HHBB Cc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 726697 UVOVORPKWBEAJW-DEDYPNTBSA-N 405.410 3.584 5 40 HHBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1F 4892858 NXWCZTAGNCMYJY-ISQHLFTMSA-N 414.392 3.611 5 40 HHBB COc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O 8767633 BKXQMMACTZUEJQ-VGOFMYFVSA-N 416.773 3.527 5 40 HHBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] 3611962 DEBLEFDSBQBPRD-UHFFFAOYSA-N 407.814 3.919 5 40 HHBB O=[N+]([O-])C[C@@H](c1ccc(Br)cc1)c1c(-c2ccccc2O)n[nH]c1O 4649873 HOMJFGCSVMMSKO-ZDUSSCGKSA-N 404.220 3.659 5 40 HHBB C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 31382326 JZDNPAIUWFNQQV-KRWDZBQOSA-N 417.465 3.661 5 40 HHBB COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 33729875 QMGKQYJCJZFAQP-WQLSENKSSA-N 403.387 3.578 5 40 HHBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716631 YCOGXFRONCDMOA-GOSISDBHSA-N 419.503 3.703 5 40 HHBB O=C1N(Cc2cccc([N+](=O)[O-])c2)c2ccccc2S(=O)(=O)N1c1ccccc1 4314995 IZFCKPFNBBAPRS-UHFFFAOYSA-N 409.423 3.930 5 40 HHBB Cc1nn(-c2ccc(Br)cc2)c2nc(C)n3c4ccccc4nc3c2c1=O 9433915 WLYPVAMVIREIEX-UHFFFAOYSA-N 420.270 3.961 5 40 HHBB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 13946218 ULXAEVJNJGAOMW-UHFFFAOYSA-N 419.894 3.760 5 40 HHBB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 19929198 ZXVBWTQVWOFGKV-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 40069639 OBYBRKYHIXXQLW-UHFFFAOYSA-N 421.388 3.971 5 40 HHBB CN(CCOc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 57355241 VSZFSPQCWGXEKF-UHFFFAOYSA-N 423.263 3.735 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 95346078 OBTZGXKXSUAATG-ACRUOGEOSA-N 415.405 3.646 5 40 HHBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 225091751 IQPXKPDMGBHPMK-UHFFFAOYSA-N 406.460 3.604 5 40 HHBB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 409129165 RADVSNOCXZNACI-AWEZNQCLSA-N 411.487 3.843 5 40 HHBB O=C(NCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])nn1Cc1ccccc1 673102 ZGVHXJDCRWBYGT-UHFFFAOYSA-N 404.348 3.788 5 40 HHBB O=C(Nc1ccccc1)c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3089798 MBLMQERAELMTTD-UHFFFAOYSA-N 407.338 3.975 5 40 HHBB COc1cc(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])cc1OC(F)F 10391578 GFPLFXWZLAMWRJ-UHFFFAOYSA-N 412.301 3.778 5 40 HHBB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 12447578 LWLVUXBYPGXFKR-DEOSSOPVSA-N 416.433 3.911 5 40 HHBB C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)OCO2 32900278 VXLDZDSYEPRZDT-HNNXBMFYSA-N 400.434 3.761 5 40 HHBB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 35292703 TUBOTBURGRYKMC-GOSISDBHSA-N 424.284 3.938 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCCC[C@@H]3O)c([N+](=O)[O-])c2)c(C)c1 58167272 QJSSXTOKKAQICS-ICSRJNTNSA-N 419.503 3.728 5 40 HHBB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c([N+](=O)[O-])cc1OC 260778220 RKDFNWFYSMGGEV-CNOZUTPLSA-N 400.460 3.596 5 40 HHBB COc1ccc(-c2ccc(/C=C(\Sc3n[nH]c(C)n3)C(=O)O)o2)c([N+](=O)[O-])c1 409190450 NPQLSHZODHYQHV-NVNXTCNLSA-N 402.388 3.508 5 40 HHBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2Cc1ccccc1 2302725 GYBXTLLEMNAKMA-UHFFFAOYSA-N 413.481 3.552 5 40 HHBB COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)c1 2313488 KSTVLDBMVFUQQJ-UHFFFAOYSA-N 423.432 3.934 5 40 HHBB CCCOc1cccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 6629703 OWSNWFJELQVANW-UHFFFAOYSA-N 403.866 3.999 5 40 HHBB CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 11092896 CTHJEBZTTPVVFO-ZUOKHONESA-N 417.437 3.819 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1 12535257 TWSAFYCGFRCCNR-INIZCTEOSA-N 404.492 3.626 5 40 HHBB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-] 12869618 DGQPWVIODIIRKT-UHFFFAOYSA-N 415.421 3.846 5 40 HHBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(C4CCCC4)c3nc12 100895271 HCKDTQVNMVZNPL-UHFFFAOYSA-N 419.529 3.615 5 40 HHBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 408574057 HXCHBRBBYLOYCR-QPJJXVBHSA-N 411.527 3.686 5 40 HHBB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 408647373 BRWREMYGETYNIM-LVNJIZSUSA-N 422.437 3.622 5 40 HHBB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1O 409007688 QRWJNAUKZSCNNY-YBEGLDIGSA-N 400.412 3.588 5 40 HHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 409180363 RAJNNHRMQADUHB-LICLKQGHSA-N 411.439 3.887 5 40 HHBB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)s1 2703622 HIVIQHPMTSOPKT-INIZCTEOSA-N 420.406 3.611 5 40 HHBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCC(C)C 4333633 QPCPPLXMIVXQTQ-CQSZACIVSA-N 416.430 3.822 5 40 HHBB Cc1c(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cccc1[N+](=O)[O-] 12536674 NSAILUMHSYOXQZ-UHFFFAOYSA-N 420.351 3.553 5 40 HHBB Cc1ccc(-c2nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=S)[nH]2)cc1 16081972 SEEBMYSFJZGGEL-UHFFFAOYSA-N 410.503 3.604 5 40 HHBB CC[C@H](C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1)c1ccccc1 72056873 PXTQMZLJEFLRNU-FQEVSTJZSA-N 409.486 3.818 5 40 HHBB Cc1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 72328746 SOOFVXZPJOCOTO-UHFFFAOYSA-N 405.458 3.564 5 40 HHBB Cc1cc(C)cc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222371945 MMVOYWVPPKSTOP-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 409334371 XEZYSOSSVBMOSF-WQRHYEAKSA-N 412.423 3.913 5 40 HHBB COc1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c(OC)c1OC 13005064 OQCBJHWWXZWIQV-URNNUDQISA-N 418.490 3.955 5 40 HHBB COC(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 97165929 QWBZVKNKZKNVEK-UHFFFAOYSA-N 408.360 3.998 5 40 HHBB COc1cccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OC 4526112 FFMCRDMZHILBGE-MHWRWJLKSA-N 400.412 3.849 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(-n2cnc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 7982169 LFZVBEWCCQCJFV-UHFFFAOYSA-N 402.476 3.581 5 40 HHBB Cc1ccc(Cn2nc(C)c(NC(=O)CSc3[nH]nc(C)c3[N+](=O)[O-])c2C)cc1 15974193 GHFDBDDJWOLVQF-UHFFFAOYSA-N 414.491 3.527 5 40 HHBB CCN(CC)Cc1ccc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 16779879 AHIJOOCAGJAIKG-UHFFFAOYSA-N 410.518 3.967 5 40 HHBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCc4ccccc4C3)c(O)n2n1 23157690 CAANWBMDPWKXJB-GOSISDBHSA-N 421.482 3.861 5 40 HHBB CCOC(=O)c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 40945752 CNQBYJIDYVDFRN-UHFFFAOYSA-N 410.473 3.513 5 40 HHBB O=C(NCc1ccc(Br)cc1)c1ccc2nc3ccccc3c(=O)n2c1 57477700 GJWNUKGCEFDWGE-UHFFFAOYSA-N 408.255 3.540 5 40 HHBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222762313 PSXRWANUDOEMPP-RBUKOAKNSA-N 410.455 3.861 5 40 HHBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cc1OC 32803165 FRAAPVYIWUJENB-OAQYLSRUSA-N 414.458 3.588 5 40 HHBB Cn1ccnc1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12551028 MXMYFOGWMCLJGT-QGZVFWFLSA-N 420.878 3.587 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12977721 OAMWUSIFZOUMAE-KRWDZBQOSA-N 418.471 3.590 5 40 HHBB O=C(/C=C/CN1C(=O)c2cccc3cccc(c23)C1=O)OCc1ccc([N+](=O)[O-])cc1 15441247 JIJDGFAGXSGOPT-FPYGCLRLSA-N 416.389 3.644 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 23143113 UBLRVYNHOUCNCI-UHFFFAOYSA-N 403.442 3.907 5 40 HHBB C[C@H]1CCCN(c2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 26911721 QTZJMDBPDCEZPU-HNNXBMFYSA-N 411.458 3.532 5 40 HHBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)nc21 2203261 JBZMGVBOMBHVKS-UHFFFAOYSA-N 424.416 3.813 5 40 HHBB Cc1ccc(OCc2cccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)c2)c([N+](=O)[O-])c1 13960381 CRWIWYOQBWEPNO-SFHVURJKSA-N 423.347 3.565 5 40 HHBB CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531566 PMDXEYKJNHHKSC-GOSISDBHSA-N 419.503 3.703 5 40 HHBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223096803 WHHLZLOCLDWAHC-GOSISDBHSA-N 411.502 3.779 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 48312686 SBWNDYUSLPAZPZ-GOSISDBHSA-N 414.487 3.706 5 40 HHBB CC[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)N1CCOCC1 4598444 JHFHUWGRQADCRB-IBGZPJMESA-N 406.511 3.765 5 40 HHBB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] 40133357 GXPXNUCUTPCKCH-UHFFFAOYSA-N 414.412 3.877 5 40 HHBB CCCCCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(O)c2ccccc21 100502068 XLNQEBVXSISHDL-UHFFFAOYSA-N 411.414 3.763 5 40 HHBB Cc1c(Cl)cc(Cl)c2nc(COC(=O)c3cccc([N+](=O)[O-])c3)cc(=O)n12 3244930 WXOMVUKAAFLVIL-UHFFFAOYSA-N 408.197 3.575 5 40 HHBB C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NC[C@H](O)c1ccccc1 6659861 BRWGPMGYXODUQH-BTYIYWSLSA-N 403.434 3.563 5 40 HHBB COCCNc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 7814242 MULGBBABMVOZHC-HIGJEIRPSA-N 401.507 3.988 5 40 HHBB CCOC(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc1 12522644 PPCIXJWZSIBBSD-UHFFFAOYSA-N 424.379 3.512 5 40 HHBB CC(C)n1c(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)nc2ccccc21 72288875 FUGPPYBKKKALKY-UHFFFAOYSA-N 404.430 3.641 5 40 HHBB CCCCc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220412448 IQVGEYLKZBYLPE-HNNXBMFYSA-N 419.503 3.731 5 40 HHBB Cc1cc(C)c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 222363273 WPEMRTUONLIVDC-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408641668 KYGDRLYDUVDWAL-SNVBAGLBSA-N 424.240 3.902 5 40 HHBB O=C(c1ccc(NCCOc2ccc3ccccc3c2)c([N+](=O)[O-])c1)N1CCOCC1 32808451 GMFZEECMUNIHLP-UHFFFAOYSA-N 421.453 3.711 5 40 HHBB O=C(c1ccccc1)c1ccc(NC[C@@H]([C@@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 58162675 VDHBOXBLCGIUKP-KNQAVFIVSA-N 409.486 3.739 5 40 HHBB CC[C@H](NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12)c1ccc(C)cc1 36619422 VJHLQTCDPVMYEN-SFHVURJKSA-N 416.441 3.889 5 40 HHBB O=C(/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)N1CCOCC1 5827454 GPBNSYMICRHGCC-SDNWHVSQSA-N 412.833 3.524 5 40 HHBB COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1[N+](=O)[O-] 2058376 XKQLKAYLZPLPNQ-MLPAPPSSSA-N 403.734 3.510 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 58423368 CKBIABQOZOQZGP-UHFFFAOYSA-N 414.315 3.988 5 40 HHBB CCN(CC)CCn1c(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)nc2ccccc21 10653055 WVSKXVPRWBIIPS-UHFFFAOYSA-N 410.478 3.580 5 40 HHBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1 408569940 KIBILLKBAXXZIR-GOSISDBHSA-N 400.460 3.703 5 40 HHBB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 408927333 ZCYKQVUKCJIOIR-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1ccc(N2CCCC2=O)cc1 32842240 ARIHJHHLQSRHFT-UHFFFAOYSA-N 401.850 3.576 5 40 HHBB CCOC(=O)/C(=C\c1ccc(NC)c([N+](=O)[O-])c1)c1nccn1Cc1ccccc1 97207232 JVDZGRSWPCBSNE-AQTBWJFISA-N 406.442 3.985 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13712315 OBTZGXKXSUAATG-HKBOAZHASA-N 415.405 3.646 5 40 HHBB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Cl)c([N+](=O)[O-])c1 17089741 SFZKHIZGHUUXGQ-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB COc1cc(NC(=O)COC(=O)c2ccc(OCC(C)C)cc2)c(C)cc1[N+](=O)[O-] 4332892 GQKGZCSOQLKUAB-UHFFFAOYSA-N 416.430 3.742 5 40 HHBB Cc1nc(CN2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)cs1 22225757 BZWVTLJLHLVXKN-UHFFFAOYSA-N 422.510 3.913 5 40 HHBB Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc(C)c1Cl 20611878 IUXOTFXMRLOONC-UHFFFAOYSA-N 419.865 3.719 5 40 HHBB COc1ccc(Br)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 48290253 VVFQEXBMOWVHIQ-UHFFFAOYSA-N 417.219 3.804 5 40 HHBB COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccc(F)cc4)nc3oc2c1 2205149 IPWRQNNOJGRCRI-UHFFFAOYSA-N 418.380 3.959 5 40 HHBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@H]1c1cccnc1 11614644 LEBYZMUOSKNSBH-OAQYLSRUSA-N 413.477 3.838 5 40 HHBB O=C(OCc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4865436 WNOAADIRKPTUTQ-UHFFFAOYSA-N 412.423 3.753 5 40 HHBB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5750767 AGMSNGDWUHUONC-KRWDZBQOSA-N 416.821 3.523 5 40 HHBB Cc1cc(Br)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1C 409197954 SONILTUZGNHKQX-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 3196953 DYBLWJRERBVZEY-UHFFFAOYSA-N 403.441 3.709 5 40 HHBB Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1I 17091201 KMJZPURBBBHHNC-UHFFFAOYSA-N 417.590 3.809 5 40 HHBB CCOC(=O)c1c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)sc2c1CCCC2 20047984 MZSVRUXLCKPMQM-UHFFFAOYSA-N 424.500 3.654 5 40 HHBB COc1ccc([C@H](CN2CCCC2)NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 95940848 VTKLYVOELKVTRW-DEOSSOPVSA-N 424.545 3.999 5 40 HHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3301587 LPVPYXUXWWQUFT-UHFFFAOYSA-N 418.471 3.517 5 40 HHBB O=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 4888677 JGZLOHHMZAHMJE-UHFFFAOYSA-N 418.906 3.839 5 40 HHBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 6348424 LSMVDKFSWMMVCE-MRXNPFEDSA-N 404.785 3.654 5 40 HHBB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902563 HKDBRZSHBXVDBE-UHFFFAOYSA-N 419.865 3.881 5 40 HHBB CCOc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])cc1OC 12796768 MCNLYGJYXFEUHH-KRWDZBQOSA-N 421.881 3.688 5 40 HHBB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 40141012 DBBGYDUQTDLBMA-CHWSQXEVSA-N 423.516 3.860 5 40 HHBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225461062 LIQXFFGTSUMQTF-PXNSSMCTSA-N 411.502 3.859 5 40 HHBB Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3ccc([N+](=O)[O-])cc3)nn12 227143689 CRIKCIPXWBKZHJ-JXMROGBWSA-N 403.427 3.888 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 3832875 OMUKCYBJEXVGEC-UHFFFAOYSA-N 405.310 3.631 5 40 HHBB Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1C 9339079 IJTHQZAFPKBTEG-UHFFFAOYSA-N 422.441 3.785 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1[N+](=O)[O-] 17090642 KLKAJUYOOJFWJO-UHFFFAOYSA-N 416.484 3.957 5 40 HHBB Cc1cccc(NC2=N[C@@H](c3cc([N+](=O)[O-])ccc3Cl)n3c(nc(C)cc3=O)N2)c1 104017318 JNHNEMVTCYXZKY-GOSISDBHSA-N 424.848 3.862 5 40 HHBB O=C(c1ccc(Cl)cc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccc([N+](=O)[O-])c1 728799 OJPCRDFJJGKQLZ-MRXNPFEDSA-N 413.739 3.858 5 40 HHBB CN(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(c1ccccc1)c1ccccc1 23609417 YREBPFQAHVBMNA-UHFFFAOYSA-N 401.422 3.870 5 40 HHBB O=C(Nc1ccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1)c1cccs1 27213847 ILYHRLYGTHGXEV-MRXNPFEDSA-N 414.439 3.727 5 40 HHBB Cc1ccc(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1311348 SUHQMYTVABEURS-UHFFFAOYSA-N 423.175 3.614 5 40 HHBB O=C(Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 5855574 XIIUWUAGHZLOSN-UHFFFAOYSA-N 410.474 3.674 5 40 HHBB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 7988190 HURHZYSTBWSHAR-ZCFIWIBFSA-N 409.777 3.515 5 40 HHBB COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 408685807 ROUDVRMAHJIFTN-UHFFFAOYSA-N 419.393 3.886 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 40087603 GNZHROXQHUCQNV-ZDUSSCGKSA-N 419.384 3.687 5 40 HHBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2 3200085 XRJJHOWSGKJEHM-UHFFFAOYSA-N 419.415 3.872 5 40 HHBB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-] 792638 JYLVZVJZHBAPNU-FQEVSTJZSA-N 404.426 3.716 5 40 HHBB CCOC(=O)c1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc(C(=O)OCC)c1 79055825 AYAZNHHHHLTAFJ-UHFFFAOYSA-N 418.377 3.648 5 40 HHBB O=[N+]([O-])C[C@H](c1ccc(Br)cc1)c1c(-c2ccccc2O)n[nH]c1O 4649874 HOMJFGCSVMMSKO-CYBMUJFWSA-N 404.220 3.659 5 40 HHBB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 9226168 PBPHHBPMCALGAB-UHFFFAOYSA-N 405.410 3.786 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCc1ccc(O)cc1 40155563 PRRUKXVYIWIORS-UHFFFAOYSA-N 419.503 3.520 5 40 HHBB C[C@H](OC[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 23389752 BVVGIYYPRHOYME-LPHOPBHVSA-N 419.909 3.509 5 40 HHBB Cc1nn([C@@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)cc1[N+](=O)[O-] 2731125 VYVKKQJQJGOQCR-ZDUSSCGKSA-N 410.463 3.549 5 40 HHBB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 4784257 SWKHIBRWEQKGHD-XMMPIXPASA-N 416.433 3.911 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)O)c2)cc1[N+](=O)[O-] 72312993 ZEWAVVLBNIGSEB-UHFFFAOYSA-N 405.215 3.709 5 40 HHBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cc4ccccc4o3)n2)c1 15674879 KPLIMMMOUKQVLI-AEFFLSMTSA-N 406.398 3.699 5 40 HHBB biogenic,in-vitro COc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OC(C)=O 2307690 SHZLZGXMTBXWSZ-CHHVJCJISA-N 416.773 3.527 5 40 HHBB COc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] 12990682 JTMVJXJVEXRJAI-UHFFFAOYSA-N 424.453 3.842 5 40 HHBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 14232236 CSQRURZGOXQUFQ-AWEZNQCLSA-N 414.483 3.903 5 40 HHBB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 25274611 SVPCIOWCBSTSSL-UHFFFAOYSA-N 410.474 3.592 5 40 HHBB O=S(=O)(c1cccs1)N1CCN(Cc2nc3ccccc3c3ccccc23)CC1 36383374 WRYNHPGMGUICOZ-UHFFFAOYSA-N 423.563 3.956 5 40 HHBB Cc1cccc(-c2nc3c4ccccc4n(Cc4ccc([N+](=O)[O-])cc4)c(=O)n3n2)c1 65534886 QLVITDQGTBIIQM-UHFFFAOYSA-N 411.421 3.976 5 40 HHBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 408668997 VKGQBGFUTJLMGP-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1O 409411836 LVLGFOOZDBBZSW-UHFFFAOYSA-N 413.459 3.618 5 40 HHBB Cc1sc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 40087451 UMHOBLWZVBBPNS-KBPBESRZSA-N 403.504 3.504 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225213463 MROWJVYVJRYFDT-HZPDHXFCSA-N 415.465 3.608 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14376663 MEENORCCPLHCKN-UHFFFAOYSA-N 400.372 3.644 5 40 HHBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 4892857 NXWCZTAGNCMYJY-YQORSWRPSA-N 414.392 3.611 5 40 HHBB Cc1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1C 6966697 KYKYOOBFSLYONE-UHFFFAOYSA-N 403.866 3.593 5 40 HHBB COC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 12980880 STJXBPMNBWUROZ-JTQLQIEISA-N 409.778 3.767 5 40 HHBB COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2cccc([N+](=O)[O-])c2)cc1 13844111 XOPONPOHPNPRRD-UHFFFAOYSA-N 419.397 3.756 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 59132853 BEAXQUHCBUFUFM-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cn1c(=O)nc2n(-c3ccc(N4CCCCCC4)cc3)c3ccccc3cc-2c1=O 59497809 ALANXTXWXVIOSI-UHFFFAOYSA-N 400.482 3.570 5 40 HHBB CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57669619 KQCIHCOQUSQOTF-FQEVSTJZSA-N 413.526 3.606 5 40 HHBB CCCC[C@H](CC)CNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 4603634 GVMYTNRWXPBXAH-OXJNMPFZSA-N 413.474 3.513 5 40 HHBB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 11691523 TVVMTLVYOIRIPD-UHFFFAOYSA-N 407.835 3.818 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 10187873 KLWCAFLJZMUDBH-UHFFFAOYSA-N 419.771 3.989 5 40 HHBB Cc1c(NC(=O)c2cccc3nc4ccccc4nc23)c(=O)n(-c2ccccc2)n1C 5445764 QFSTWPJCJNBGRM-UHFFFAOYSA-N 409.449 3.833 5 40 HHBB C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc2c(c1)OCO2 9548685 HXTMVFKJZKQDPB-GFCCVEGCSA-N 424.365 3.768 5 40 HHBB O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 10327758 KARGMOKFSWJXHX-UHFFFAOYSA-N 403.438 3.872 5 40 HHBB Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 16739430 KAZWGMRQKXQIMJ-UHFFFAOYSA-N 418.409 3.905 5 40 HHBB COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224626716 XOXAZEYVULEULC-UHFFFAOYSA-N 421.258 3.744 5 40 HHBB CCOC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 408529631 NCYPUCAEAQLSPK-UHFFFAOYSA-N 415.789 3.830 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccncc1 886909 DWRBYNSQEXQQDL-UHFFFAOYSA-N 418.866 3.652 5 40 HHBB Cc1ccccc1OS(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 4746056 FQNQUDSTBJISDH-UHFFFAOYSA-N 412.423 3.923 5 40 HHBB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 714619 DJIHXHYPPBWYFO-IBGZPJMESA-N 421.375 3.696 5 40 HHBB CS(=O)(=O)c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 23042841 INHUOCWVIGAYQB-UHFFFAOYSA-N 416.484 3.608 5 40 HHBB C[C@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 48342713 SCZYEMGHOGMKPI-CQSZACIVSA-N 421.419 3.719 5 40 HHBB C[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14199558 VLTSKZXVRCLRCX-SSDOTTSWSA-N 416.615 3.523 5 40 HHBB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 9507125 AMFMXJVFELRWFN-UHFFFAOYSA-N 418.862 3.931 5 40 HHBB O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 95441479 BQDLMPLJSYXVHV-UHFFFAOYSA-N 403.744 3.861 5 40 HHBB O=c1c2oc3ccccc3c2n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 4359007 GZHVIPLMJZIHJQ-UHFFFAOYSA-N 413.389 3.855 5 40 HHBB Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(F)(F)F 78968462 SMWRDIUCFWJDGN-XHDPSFHLSA-N 416.425 3.846 5 40 HHBB Cc1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(C)c1 6964966 UGVVQIAVIAVWGJ-UHFFFAOYSA-N 403.866 3.593 5 40 HHBB Cc1ccc(NC2=Nc3nc(C)cc(=O)n3[C@H](c3cc([N+](=O)[O-])ccc3Cl)N2)cc1 2325808 ZNFXKQANUFAEEG-GOSISDBHSA-N 424.848 3.671 5 40 HHBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11073740 RMRWOZRIZSPQNT-HNNXBMFYSA-N 418.453 3.510 5 40 HHBB Cc1c(CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)cccc1[N+](=O)[O-] 40127409 CWTWYELVIBHSSF-UHFFFAOYSA-N 407.402 3.769 5 40 HHBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCC1(c2ccccc2)CCOCC1 224493910 XKORXKHXKZUKBZ-UHFFFAOYSA-N 400.500 3.693 5 40 HHBB Cc1cc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)ccc1Cl 16282298 MTDRIMBPTJCHQW-UHFFFAOYSA-N 424.284 3.938 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1Cc1ccccc1 877773 SARHJXUYATXTAN-AWEZNQCLSA-N 411.487 3.971 5 40 HHBB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 106380838 FBJLIIFJLAFSJW-CQSZACIVSA-N 411.487 3.815 5 40 HHBB O=C(COC(=O)/C=C/c1cccc(Br)c1)Nc1cccc([N+](=O)[O-])c1 3301713 HASNUQBKKCFRAR-BQYQJAHWSA-N 405.204 3.552 5 40 HHBB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1 12919645 OIGSWMRWZBQUSD-SNVBAGLBSA-N 423.219 3.550 5 40 HHBB CC(C)OC(=O)C[C@H](NC(=O)N1CCc2ccccc2C1)c1ccccc1[N+](=O)[O-] 9112192 RHRCLFAJOPTVMI-IBGZPJMESA-N 411.458 3.746 5 40 HHBB CN(CCc1cccc(NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c1)C1CC1 95460074 NUFGIBRWDFWSQI-VMPITWQZSA-N 423.469 3.750 5 40 HHBB COC1(c2nc(-c3ccccn3)no2)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 583615850 DCWUZKWZVNXFOO-OAHLLOKOSA-N 409.446 3.739 5 40 HHBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 95993049 GNQDZQJPKXFBOY-QGZVFWFLSA-N 411.506 3.630 5 40 HHBB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1cccc([N+](=O)[O-])c1 2655487 VJXFZPNRBGGNKW-UHFFFAOYSA-N 406.394 3.860 5 40 HHBB Cc1c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] 12973431 FPCFBVYKOBHQIO-IBGZPJMESA-N 411.458 3.840 5 40 HHBB COc1cccc(N2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 58039194 XYBDCIRVWBSKBX-HNNXBMFYSA-N 409.446 3.537 5 40 HHBB Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)n2)cc1 26599482 KSGAEXZMTZETIA-QGZVFWFLSA-N 407.474 3.832 5 40 HHBB C[C@H](C(=O)OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13015085 HWHKOYAMLYGGOS-SNVBAGLBSA-N 418.254 3.807 5 40 HHBB Cc1cccc(OCc2nn(CC(=O)Nc3ccccc3[N+](=O)[O-])c(=S)o2)c1 409161964 XUHBCKPHQUCVGA-UHFFFAOYSA-N 400.416 3.640 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc(C)c(C)c12 5697376 GHRLIKHVUYOHMN-UHFFFAOYSA-N 404.473 3.956 5 40 HHBB CC(C)(C)SCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 6788403 ZCNCAQPOOBJCJW-UHFFFAOYSA-N 408.501 3.898 5 40 HHBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccccc1[N+](=O)[O-] 9226442 QZRGJWJQIXFDBC-UHFFFAOYSA-N 421.388 3.794 5 40 HHBB N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1)CCCN4CCC3 67341983 LWZGFVVZXGRVHA-UHFFFAOYSA-N 404.426 3.772 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 8054274 AFRBACRCJAHADB-UHFFFAOYSA-N 421.475 3.530 5 40 HHBB CCc1n[nH]c(=S)n1CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 72304260 UBGNWGOJCLKVMA-UHFFFAOYSA-N 421.866 3.755 5 40 HHBB CC[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 95945077 QKIXBAJHZOWTKT-HNNXBMFYSA-N 412.895 3.518 5 40 HHBB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223035852 DTAVDRXSOZONKF-WOJBJXKFSA-N 424.482 3.869 5 40 HHBB COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(OC)cc1Cl 15245933 CTEBLMGJJQYOCA-UHFFFAOYSA-N 400.840 3.683 5 40 HHBB COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1429042 DXGUUPHHMYXNES-UHFFFAOYSA-N 419.393 3.886 5 40 HHBB O=[N+]([O-])c1ccc(Nc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)cc1 12540706 LONVNIQGEYEZRA-UHFFFAOYSA-N 402.432 3.654 5 40 HHBB CC(C)c1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 6358971 XKRJBOFLLVOBHZ-SFHVURJKSA-N 416.499 3.548 5 40 HHBB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224767419 UIUAPAJQOMOTLU-UHFFFAOYSA-N 420.487 3.785 5 40 HHBB COc1cc(Br)c(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC 5371874 MPYRUHNKHJCAEP-UHFFFAOYSA-N 407.220 3.577 5 40 HHBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 6441662 GSCAQZVXVGFNTM-UHFFFAOYSA-N 411.370 3.710 5 40 HHBB S=C(Nc1ccc2nc3ccccc3nc2c1)N1CCN(c2ccccn2)CC1 6897062 JAFZHPHKILVDNS-UHFFFAOYSA-N 400.511 3.697 5 40 HHBB CC(C)n1nccc1NC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 32667996 GBIRBLYIFLBUGR-UHFFFAOYSA-N 423.429 3.642 5 40 HHBB CCc1nc(C)c2c(C)c(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])sc2n1 40047350 OVNLQEYZAISPAH-UHFFFAOYSA-N 414.443 3.574 5 40 HHBB CN(c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1)S(=O)(=O)c1ccccc1 222532203 IHQMZIVIFJVGHK-UHFFFAOYSA-N 411.439 3.672 5 40 HHBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCOC)c(C)nc32)cc1 2306936 PAESTNXYSQVKJA-UHFFFAOYSA-N 413.481 3.801 5 40 HHBB COc1ccc(C)cc1[C@@H](C)Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-] 7365651 LDWDYNUDKGDPSL-CQSZACIVSA-N 407.492 3.772 5 40 HHBB COc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OC(F)F 9120028 NMYGYWZFCHOEJF-UHFFFAOYSA-N 421.312 3.612 5 40 HHBB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9715051 SHSQNBUAHZENMD-UHFFFAOYSA-N 419.850 3.568 5 40 HHBB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 10728220 OBZOQNQXMQNNMB-UHFFFAOYSA-N 424.409 3.754 5 40 HHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 12918289 XRLUIFBNWSLXCZ-UHFFFAOYSA-N 412.258 3.784 5 40 HHBB COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 17088359 IPTCAEUAMMGIJS-UHFFFAOYSA-N 409.851 3.701 5 40 HHBB COc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c([N+](=O)[O-])c1 19928167 HWAKQJKTUVTMGY-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 15881991 OCQAXMGWGZSDQS-SFHVURJKSA-N 416.480 3.601 5 40 HHBB O=C1[C@H]2[C@@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1c1ccccc1 102748789 KLSOIPVTUNNHBD-PWRODBHTSA-N 415.405 3.646 5 40 HHBB COc1ccc(OC)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)c1 408565056 BBSHKUXXIMFBLL-SFHVURJKSA-N 400.460 3.703 5 40 HHBB COc1ccc(OC)c(Nc2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])c1 9245225 WYNZTCZCMWWKMJ-UHFFFAOYSA-N 400.370 3.611 5 40 HHBB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 20022895 SBMBTWBNGYKSJK-UHFFFAOYSA-N 415.402 3.805 5 40 HHBB O=C(N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C12CC3CC(CC(C3)C1)C2 95939688 DZZRSFRRJMVGND-UHFFFAOYSA-N 423.517 3.726 5 40 HHBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225213504 MROWJVYVJRYFDT-JKSUJKDBSA-N 415.465 3.608 5 40 HHBB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 106380833 FBJLIIFJLAFSJW-AWEZNQCLSA-N 411.487 3.815 5 40 HHBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)c3ccccc3C2=O)c1 9055365 HOHJAJYLJSGHQF-UHFFFAOYSA-N 402.362 3.752 5 40 HHBB Cc1cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2c2ccccc12 3443545 CEIZCKAHCXYZLM-UHFFFAOYSA-N 411.418 3.969 5 40 HHBB C[C@@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 18109192 HZJHBEIORPGBNV-OAHLLOKOSA-N 411.458 3.847 5 40 HHBB CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 33606066 KFYCDCFVPCNVCA-UHFFFAOYSA-N 424.438 3.940 5 40 HHBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)c1 2247415 KRHAIXCKZYIEKI-QGZVFWFLSA-N 411.465 3.771 5 40 HHBB Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1 4954415 RJXTXYCYABDPGQ-UHFFFAOYSA-N 403.851 3.775 5 40 HHBB O=C(OC/C(=C\Cl)OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 5182410 MWAHPPQBLQTKSF-OQLLNIDSSA-N 406.734 3.597 5 40 HHBB O=c1[nH]cccc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCC1 95473527 CGSIPTOHGJXDDR-UHFFFAOYSA-N 402.410 3.800 5 40 HHBB Cc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 222371702 GBACPNQCQUUINL-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 5269916 DBUKOXZEOFNDQC-UHFFFAOYSA-N 413.817 3.719 5 40 HHBB O=C(CNc1ccccc1C(=O)NCCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 6651425 DMUICUKFBCGHKJ-UHFFFAOYSA-N 418.453 3.618 5 40 HHBB COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccc([N+](=O)[O-])c2)cc1 9667624 XPYZYVUMSIAABR-UHFFFAOYSA-N 419.397 3.756 5 40 HHBB CSc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1[N+](=O)[O-] 12777742 HCGKVFVXTCHPQU-RYUDHWBXSA-N 422.532 3.635 5 40 HHBB NC(=O)c1ccc(CNc2cc(C(F)(F)F)ccc2N2CCCC2)c([N+](=O)[O-])c1 25252150 QSTUJVTUVZLTOC-UHFFFAOYSA-N 408.380 3.925 5 40 HHBB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1F 32931525 ZJFUVTRBIOZMKA-UHFFFAOYSA-N 413.449 3.519 5 40 HHBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 409364763 LMTDWTQZMHZSSD-LICLKQGHSA-N 411.439 3.887 5 40 HHBB COc1cc(C(=O)O[C@H](C)C(=O)c2cc(C)c(C)cc2C)c([N+](=O)[O-])cc1OC 3411898 ACAXDFWYQPGUAU-CQSZACIVSA-N 401.415 3.965 5 40 HHBB C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 8435609 SZTDHBOVYZKKHX-JTQLQIEISA-N 415.387 3.672 5 40 HHBB CSc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1[N+](=O)[O-] 12777751 HCGKVFVXTCHPQU-TXEJJXNPSA-N 422.532 3.635 5 40 HHBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224271053 AGLRRSFFLOTLMX-GOSISDBHSA-N 417.893 3.734 5 40 HHBB O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1CCOc1ccc(F)cc1 409051533 AZSDXBZNOHVRNF-YBEGLDIGSA-N 404.375 3.555 5 40 HHBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 409341176 DEEYIDRVSUDQQJ-LICLKQGHSA-N 411.439 3.887 5 40 HHBB CC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])cc4)n3)ccc21 1365605 UEXBXUBEWAOWDC-UHFFFAOYSA-N 408.439 3.880 5 40 HHBB CCOC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1cccc([N+](=O)[O-])c1 1467218 SGHSJTIUQGWTGJ-SFHVURJKSA-N 405.414 3.705 5 40 HHBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102715460 OBTZGXKXSUAATG-NJDAHSKKSA-N 415.405 3.646 5 40 HHBB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2cc3ccncc3c3ncccc23)C1 6274487 ADCGBFOEFASIJK-KRWDZBQOSA-N 405.502 3.895 5 40 HHBB CC1=NC2=C(C)N(C)N(c3ccccc3)C2=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8781150 TZFUDIUERJUHCG-UHFFFAOYSA-N 407.390 3.653 5 40 HHBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1 107734670 KBIPLOLALBXHSY-AWEZNQCLSA-N 411.487 3.990 5 40 HHBB Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)nnc3c2c1 4976314 SNRVAOZSHLMQRX-UHFFFAOYSA-N 408.443 3.762 5 40 HHBB O=C(O)[C@H]1CS[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)N1 408991020 MJDAVWVZZFCIFF-NOZJJQNGSA-N 409.470 3.737 5 40 HHBB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225425104 JTZUXVZYQKYQBB-HXUWFJFHSA-N 411.502 3.513 5 40 HHBB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 13551645 BETXQROPAUMXBT-YVLHZVERSA-N 400.412 3.896 5 40 HHBB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1C[C@H]1COc2ccccc2O1 9511996 IVJFAHSUYYAAEV-INIZCTEOSA-N 423.425 3.510 5 40 HHBB COc1cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c([N+](=O)[O-])cc1OC 12922531 WNHPCVVAXAUHOG-LBPRGKRZSA-N 420.491 3.553 5 40 HHBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(CN2CCOCC2)cc1 22418453 TVAROPBJVJLZCC-XBXARRHUSA-N 401.850 3.732 5 40 HHBB O=C(NCc1ccc(Br)cc1)c1cccn2c(=O)c3ccccc3nc12 51317278 OZTWEDYZBKFAPP-UHFFFAOYSA-N 408.255 3.540 5 40 HHBB Cc1cc(C)cc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 222570884 XQUQCMFVWRYTGK-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 4013070 RCOQXAPQYJMRLK-UHFFFAOYSA-N 418.427 3.935 5 40 HHBB O=C(CSCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 12858028 DFVGNFMAUUAMBT-UHFFFAOYSA-N 424.276 3.668 5 40 HHBB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 15604037 SXZHXRIQZBFSEL-AQDCRGGLSA-N 410.426 3.847 5 40 HHBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 40082699 ZQHHZRCYNJSJCW-GOSISDBHSA-N 403.438 3.760 5 40 HHBB Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2cncc(F)c2)CC1 95468716 YSERJTCJIIFLMB-UHFFFAOYSA-N 411.842 3.569 5 40 HHBB COc1ccc(OC)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)c1 408577036 YKZXSRYELONCFT-SFHVURJKSA-N 418.450 3.842 5 40 HHBB O=C(Nc1ccccc1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 3014142 RJMJTSLTFKVPNR-UHFFFAOYSA-N 407.338 3.975 5 40 HHBB C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCCN(C2CCC2)C1 95469104 MAFWESMCPSZSAX-PKOBYXMFSA-N 414.550 3.580 5 40 HHBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 17093774 QIVSIORMVOPGOF-UHFFFAOYSA-N 424.276 3.801 5 40 HHBB Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1 3013184 OKBTTWHQRZJTLG-UHFFFAOYSA-N 415.405 3.804 5 40 HHBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)cs1 10647164 GFYOEKGOGQKUTA-UHFFFAOYSA-N 411.439 3.898 5 40 HHBB O=C(NCc1ccccc1OC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12563730 ZOGKWOPBLHNRCM-UHFFFAOYSA-N 405.401 3.729 5 40 HHBB COc1ccc(OCc2nnc(C(=O)Nc3ccc(C)cc3)s2)c([N+](=O)[O-])c1 12736073 MHLQTIKCUGLDMC-UHFFFAOYSA-N 400.416 3.595 5 40 HHBB CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 224741505 JQBBHPFVUBVMAE-UHFFFAOYSA-N 405.657 3.836 5 40 HHBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225017028 WPAQSTCOAVBEQS-ZWKOTPCHSA-N 411.502 3.778 5 40 HHBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225104730 BHIADVZFYNSSTD-HXUWFJFHSA-N 411.502 3.779 5 40 HHBB O=C(OCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1609804 UEFLOYJGIGTLEP-UHFFFAOYSA-N 402.359 3.687 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)c3)C(=O)[C@H]2C1 408681385 JDOSQFMECMKSPJ-SJORKVTESA-N 423.400 3.832 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1 408917198 OPUYITPYCUEFEU-RQZCQDPDSA-N 400.412 3.849 5 40 HHBB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225536649 PTIVWZZOONUMRT-OAHLLOKOSA-N 417.893 3.733 5 40 HHBB COC(=O)c1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc([N+](=O)[O-])c1 5559670 UXZVPYZIYQWULY-DOPJRALCSA-N 421.446 3.542 5 40 HHBB Cc1cccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c1[N+](=O)[O-] 12971482 WPUDKWMEZGLNIB-UHFFFAOYSA-N 403.438 3.655 5 40 HHBB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 10186542 OSNAEEAQOIWKMD-UHFFFAOYSA-N 418.384 3.994 5 40 HHBB COCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc21 3499290 ZJDANCLJEXABLD-UHFFFAOYSA-N 420.878 3.975 5 40 HHBB Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)n1 5577600 XOTRVSTWBZFGLZ-UHFFFAOYSA-N 406.851 3.852 5 40 HHBB COc1cc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc(OC)c1 15208201 YHUCQBILSINMGH-UHFFFAOYSA-N 421.475 3.530 5 40 HHBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2Cl)CC1 72328753 GMSYYPBPQMQXNT-UHFFFAOYSA-N 411.849 3.601 5 40 HHBB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C 8333968 GIOPZBLNQJTHRE-UHFFFAOYSA-N 409.851 3.701 5 40 HHBB O=C(c1ccccc1)c1ccc(N2CCC(CCN3CCOCC3)CC2)c([N+](=O)[O-])c1 58134345 GWAAMPYAKJSJMW-UHFFFAOYSA-N 423.513 3.765 5 40 HHBB Cc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)c([N+](=O)[O-])c1 9317858 NYNFYRUTXDWRNG-UHFFFAOYSA-N 417.219 3.626 5 40 HHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225213544 MROWJVYVJRYFDT-CVEARBPZSA-N 415.465 3.608 5 40 HHBB CCOc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17089898 DMBWOXKPEDPGOB-UHFFFAOYSA-N 414.487 3.721 5 40 HHBB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1[N+](=O)[O-] 989562 DNCPKZOEZRJWRY-UHFFFAOYSA-N 403.398 3.898 5 40 HHBB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)c([N+](=O)[O-])c1 6988145 MFWJYJCIBUQTDX-UHFFFAOYSA-N 404.220 3.736 5 40 HHBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 12935077 VJFAAGHVFYUCKV-UHFFFAOYSA-N 424.526 3.874 5 40 HHBB CC(=O)c1ccc(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 15442805 SVJNEERNNSECLB-OAHLLOKOSA-N 421.457 3.731 5 40 HHBB Cc1cc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)n[nH]1 16283461 LSSXHXGBCKDGQM-UHFFFAOYSA-N 420.454 3.849 5 40 HHBB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc([N+](=O)[O-])cc1Cl 32127801 NQRJQLQXFDVHNM-UHFFFAOYSA-N 418.862 3.947 5 40 HHBB Cc1c(OCC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)ccc2c1oc(=O)c1ccccc12 100765679 TTXZRTYXXNRVMA-IYBDPMFKSA-N 423.465 3.641 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 408646149 VPXQWAQRIDKQJF-LBPRGKRZSA-N 403.822 3.557 5 40 HHBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc4cn[nH]c4c3)c([N+](=O)[O-])c2)C1 79016315 SILDRJLBQBHQFJ-CYBMUJFWSA-N 416.459 3.684 5 40 HHBB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 8412618 PLMCYYQOVQRLPE-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 1417277 JMIGGRVKGJRZNN-CXUHLZMHSA-N 416.411 3.554 5 40 HHBB COc1c([N+](=O)[O-])cc(NC(=O)COc2cc(C)ccc2C(C)C)cc1[N+](=O)[O-] 20528886 VDZKZZORYHTISM-UHFFFAOYSA-N 403.391 3.961 5 40 HHBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccccc1 5094190 LGWZTUBTNDZURN-NJDAHSKKSA-N 415.405 3.646 5 40 HHBB O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1OC(F)F 5656115 IXGXREHFYZZZKJ-UHFFFAOYSA-N 400.721 3.645 5 40 HHBB CCCN1C(=O)c2ccc(OC)cc2N(CCC[N+](C)(C)C)C(=O)c2ccccc21 5468494 ATSJPCHPOMAZDT-UHFFFAOYSA-N 410.538 3.809 5 40 HHBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)c1 23143583 JMMBPZBJQMFPHA-UHFFFAOYSA-N 424.784 3.624 5 40 HHBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1F 12555395 VPHSUFQTTXYJBN-UHFFFAOYSA-N 400.332 3.664 5 40 HHBB Cn1ccnc1Sc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 12525413 XRGHCDAUBXJDIP-UHFFFAOYSA-N 424.891 3.934 5 40 HHBB Cc1cc(NC2CCN(C(=O)c3ccco3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 48326847 CJJVNCCIGITZHB-UHFFFAOYSA-N 407.430 3.670 5 40 HHBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cc(Cl)ccc1O 95470909 VTSKURAABCNXAY-UHFFFAOYSA-N 413.729 3.816 5 40 HHBB CCOC(=O)c1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc2c1CCCC2 14398675 TXVOTARUIJOBMG-UHFFFAOYSA-N 424.500 3.821 5 40 HHBB CC(C)(C)c1nc(CN2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)no1 79048124 XWAKSWSUCVUOMS-UHFFFAOYSA-N 410.478 3.536 5 40 HHBB COc1ccccc1-c1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(=S)n1C 36398051 HIGHRLRPHSLXLQ-ZDUSSCGKSA-N 411.487 3.944 5 40 HHBB C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccc(F)c(F)c1 11396307 IEXKNSGNYXEVLS-CYBMUJFWSA-N 418.396 3.904 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 12763372 HTBUHMKRRAOHHX-QGZVFWFLSA-N 418.471 3.590 5 40 HHBB CC(C)Oc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 408628767 XFWFIAUPEMRQDE-UHFFFAOYSA-N 403.866 3.998 5 40 HHBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1 225059480 IUTRBMUOHGQBAZ-UHFFFAOYSA-N 414.439 3.506 5 40 HHBB C[C@H]1CN([C@@H](C)CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 40081297 GBSUAXYGOLFQOM-YESZJQIVSA-N 412.490 3.566 5 40 HHBB CCn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 6490088 JRJLASBPDAXSRS-UHFFFAOYSA-N 401.492 3.988 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1 7890956 FZUYVLOXQYBDFR-UHFFFAOYSA-N 405.410 3.542 5 40 HHBB Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57456086 LVVMJCXRRUQNNZ-KRWDZBQOSA-N 419.485 3.601 5 40 HHBB Cc1cccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C(C)C)n2)c1 5354661 IYJZNXVTSNZESD-UHFFFAOYSA-N 410.430 3.769 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 408689414 YYHXWNMYBYUAHQ-OALUTQOASA-N 405.410 3.693 5 40 HHBB O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 139122968 IPFVEUTWRNAJTF-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCCc2ccccc21 5508624 HJLLUOPPBDKALB-SGTLLEGYSA-N 402.834 3.987 5 40 HHBB O=c1nc2n(-c3ccc(Br)cc3)c3cc(Cl)ccc3cc-2c(=O)[nH]1 2224639 QMMVLIZOHASMMZ-UHFFFAOYSA-N 402.635 3.595 5 40 HHBB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 3318066 NFJKYXYATOZPPT-UHFFFAOYSA-N 416.861 3.886 5 40 HHBB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 4690923 MVEXMVYMMOCKAD-UHFFFAOYSA-N 413.459 3.516 5 40 HHBB COc1ccc(C(=O)Nc2nc(CN3CCCCC3)nc3ccccc23)cc1[N+](=O)[O-] 11164808 VQTLTMHKWLYEDG-UHFFFAOYSA-N 421.457 3.785 5 40 HHBB CC(=O)Nc1ccc(Oc2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)cc1 72434072 REDYCBQSBFWYAT-UHFFFAOYSA-N 423.381 3.694 5 40 HHBB Cc1cccc(OCc2nn(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c(=S)o2)c1 409153726 MVMWVHFLXFVHAG-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1349263 BCHYPPYHGXTLAI-UHFFFAOYSA-N 412.446 3.820 5 40 HHBB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12 8071499 WYJGUXDFBJNZTP-UHFFFAOYSA-N 408.443 3.884 5 40 HHBB Cc1ccc(-n2nc(C)c(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2C)cc1 12536169 GWBCSOXFDHVRLM-UHFFFAOYSA-N 400.460 3.815 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1C 12985647 BQGWZOFDXQNGLG-KRWDZBQOSA-N 418.471 3.509 5 40 HHBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)C1CC1 9139024 YGIBHMGENQUGPM-MRXNPFEDSA-N 419.231 3.990 5 40 HHBB Cc1cc2nnc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])n2c2ccccc12 9670168 BMLZBYQQSPXYGG-UHFFFAOYSA-N 414.468 3.654 5 40 HHBB CC(C)n1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 886024615 RMNXXVNBQYWZKM-JKSUJKDBSA-N 420.469 3.552 5 40 HHBB COC(=O)c1cc(C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc([N+](=O)[O-])c1 12621268 UXZVPYZIYQWULY-VHSSKADRSA-N 421.446 3.542 5 40 HHBB COC(=O)CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 24271111 CRNXTLBZHXQHFI-CYBMUJFWSA-N 413.455 3.721 5 40 HHBB O=C1S[C@H](Nc2ccc(Br)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 2272894 GFUKYGATKQOAAS-AWEZNQCLSA-N 422.260 3.991 5 40 HHBB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 3318858 CSCCKQRFSGFBRQ-UHFFFAOYSA-N 416.861 3.886 5 40 HHBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl 9765462 CGDFEJQZHWSIHX-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408685651 PQUNIMCZYHTBBV-XPGWFJOJSA-N 421.453 3.573 5 40 HHBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc(OCc2ccccc2)cc1 820585 UFKLUNSKERHXQI-UHFFFAOYSA-N 403.394 3.839 5 40 HHBB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 9540044 FWOARJQHNFDVHY-INIZCTEOSA-N 420.347 3.880 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1[N+](=O)[O-] 58263912 RFECPCGZTHDKLT-UHFFFAOYSA-N 402.432 3.877 5 40 HHBB Cn1ccnc1C(=O)c1ccc(NCc2cccc(-c3ncc[nH]3)c2)c([N+](=O)[O-])c1 95460523 GICXNLAFWDJUPP-UHFFFAOYSA-N 402.414 3.562 5 40 HHBB CC(C)COc1ccc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1Br 408599977 QBNBTVZEKBBBOC-HWKANZROSA-N 410.224 3.764 5 40 HHBB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408644723 SVACQVMCXFYHJL-GFCCVEGCSA-N 403.822 3.557 5 40 HHBB C[C@@H](NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 1807636 ZMSJFOIOKWSDSB-OAHLLOKOSA-N 409.442 3.629 5 40 HHBB CCOc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 6155577 DUAYLASEAKCUJH-UHFFFAOYSA-N 402.447 3.692 5 40 HHBB COCCNc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] 10546602 BIXODRRCWFOVLO-MRXNPFEDSA-N 423.473 3.549 5 40 HHBB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12642642 DFVBLZDBDNHJML-INIZCTEOSA-N 417.462 3.537 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)c1noc(-c2ccco2)c1S(=O)(=O)c1ccccc1 16491570 HTRIJFVPTFOPPN-UHFFFAOYSA-N 424.390 3.907 5 40 HHBB CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1 26770629 UPOXKUKUWZYRQV-UHFFFAOYSA-N 402.447 3.733 5 40 HHBB in-vitro Cc1cc(C(=O)N2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)on1 48324997 LNWBDZZMTIOKEX-UHFFFAOYSA-N 418.759 3.526 5 40 HHBB CN(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 89365273 UPTJYGPCVJGGOA-UHFFFAOYSA-N 412.423 3.639 5 40 HHBB O=C(CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)Oc1ccc(Cl)cc1 8898197 NDBSZERUWISCLP-UHFFFAOYSA-N 424.796 3.993 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nc(-c3ccco3)no2)CC1 12528635 NPLUKDARJMYHDO-UHFFFAOYSA-N 423.351 3.579 5 40 HHBB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1[N+](=O)[O-] 12975198 CBMADXRHONDOFW-GOSISDBHSA-N 404.469 3.733 5 40 HHBB Cc1cccc(Cc2cnc(NC(=O)CCn3cnc([N+](=O)[O-])c3)s2)c1Cl 24836616 AEQIVHAXEMHCDN-UHFFFAOYSA-N 405.867 3.829 5 40 HHBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)C12CC3CC(CC(C3)C1)C2 32724217 YCRHCLDQPACSEE-OWFXSXJRSA-N 401.415 3.654 5 40 HHBB O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)nc1 96524735 RZRNUZBGFWRIOO-UHFFFAOYSA-N 403.486 3.924 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409136951 UEWJXPXHMZVKFK-UHFFFAOYSA-N 411.399 3.502 5 40 HHBB COc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)ccc1OC(C)=O 675732 XXRLBMZKAWWMJK-CHHVJCJISA-N 416.773 3.527 5 40 HHBB Cc1c(Cl)cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] 12649198 ZAGUDQTUFVQDPS-UHFFFAOYSA-N 404.835 3.814 5 40 HHBB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14370685 XZFWYBLJTYDSIK-UHFFFAOYSA-N 406.442 3.531 5 40 HHBB Cc1c(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cccc1[N+](=O)[O-] 14630096 CFCVHBWIIFGDIO-UHFFFAOYSA-N 415.318 3.561 5 40 HHBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)o1 408631222 GIRZUAXLZQJHTG-NVNXTCNLSA-N 403.372 3.773 5 40 HHBB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n21 4168148 UOZIGFMIWKJRFA-UHFFFAOYSA-N 409.471 3.875 5 40 HHBB O=C(COc1ccc(Br)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 5863737 KJDBEEJWEPYPLQ-UHFFFAOYSA-N 408.233 3.985 5 40 HHBB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)c([N+](=O)[O-])c3)cc12 8834313 VJRUSEYARMYKSN-UHFFFAOYSA-N 422.390 3.766 5 40 HHBB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9283947 UDKOQZRGUGXJOU-NSHDSACASA-N 416.415 3.507 5 40 HHBB COc1ccccc1Cc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 9426456 PKLNAHPXSRMDTM-UHFFFAOYSA-N 404.835 3.951 5 40 HHBB O=[N+]([O-])c1ccccc1N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 9604775 IGANVUIINLUSMR-UHFFFAOYSA-N 403.364 3.883 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 13039187 HDHDCEZGSMTKOU-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB O=C(/C=C/c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 17088509 KHKQWHTWHYGFNL-VQHVLOKHSA-N 410.474 3.540 5 40 HHBB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n[nH]1 408583928 YUJRBJSCWDTLCP-UHFFFAOYSA-N 413.459 3.818 5 40 HHBB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 409008409 YBJNTOLGDBJVLI-WJDWOHSUSA-N 400.412 3.588 5 40 HHBB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 865328 CKYTVPVCHBCIDF-INIZCTEOSA-N 405.794 3.699 5 40 HHBB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 2631878 ZECXNJAZPVQZKR-GFCCVEGCSA-N 419.865 3.651 5 40 HHBB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 6615739 LZSVHTZGAMQFCF-UHFFFAOYSA-N 404.879 3.975 5 40 HHBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 13632619 DPAPSXKOIFRVCS-UHFFFAOYSA-N 420.450 3.974 5 40 HHBB CCc1noc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1 96747835 VDOXSAOOFPEYBL-UHFFFAOYSA-N 413.503 3.587 5 40 HHBB O=[N+]([O-])c1ccc(NCCCNc2ccc([N+](=O)[O-])c3cccnc23)c([N+](=O)[O-])c1 103748460 YVGDSXGPNUBIBX-UHFFFAOYSA-N 412.362 3.874 5 40 HHBB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 862153 ODVZKIVIFPICTE-UHFFFAOYSA-N 411.487 3.992 5 40 HHBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)c(C)nc21 2257708 KQYHCFXNBFFNOO-MRXNPFEDSA-N 405.502 3.972 5 40 HHBB CCCC[C@@H](CC)CNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 4603633 GVMYTNRWXPBXAH-OXQOHEQNSA-N 413.474 3.513 5 40 HHBB COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 4619281 KDDQDKSBHPVXAI-UHFFFAOYSA-N 409.364 3.585 5 40 HHBB C[C@H](OC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 6038494 DYRHBOUFJKTBLL-INIZCTEOSA-N 417.506 3.969 5 40 HHBB COCCNc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] 7105362 DVFRCJALNGJHIM-CYBMUJFWSA-N 412.402 3.621 5 40 HHBB COC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 12980878 STJXBPMNBWUROZ-SNVBAGLBSA-N 409.778 3.767 5 40 HHBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(Cl)cc3)n2)c1 15674833 XFGWAUBLXGNRIY-SJORKVTESA-N 400.822 3.606 5 40 HHBB biogenic,in-vitro COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 23081512 RHAMQDINAQBJMF-UHFFFAOYSA-N 416.411 3.581 5 40 HHBB CCOC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 40945577 JFQFYMSPQNEBLN-UHFFFAOYSA-N 410.473 3.513 5 40 HHBB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408615000 KPYLDXRYVFXZPR-UHFFFAOYSA-N 405.410 3.786 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCN1CCc2ccccc21 12537257 CEXXWDBXXYAUKH-UHFFFAOYSA-N 411.505 3.724 5 40 HHBB O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 12604838 OHEFYEOAPIJAJF-UHFFFAOYSA-N 422.463 3.745 5 40 HHBB COc1ccc(C)cc1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccco1 27914237 GWPIBZDQUAMISF-UHFFFAOYSA-N 416.455 3.896 5 40 HHBB O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cc3c(cc2o1)CCC3 57571675 VTDKILJQXUWDDH-UHFFFAOYSA-N 405.454 3.512 5 40 HHBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(Cl)c2)CC1 72328754 PYJFNENZOXZADC-UHFFFAOYSA-N 411.849 3.601 5 40 HHBB COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc2c1OCCO2 524729306 NHUFARATJFCFSM-UHFFFAOYSA-N 419.393 3.726 5 40 HHBB biogenic CCN(CC)c1ccc2cc(-c3n[nH]c(-c4ccc([N+](=O)[O-])cc4)n3)c(=O)oc2c1 1505069 LDJMWXIBEIDOCQ-UHFFFAOYSA-N 405.414 4.000 5 40 HHBB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 12906795 RAQKMBGAKLYRBK-UHFFFAOYSA-N 415.247 3.532 5 40 HHBB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 36700312 PNMABNIAOWCVGY-LBPRGKRZSA-N 418.247 3.657 5 40 HHBB CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 39759120 XIAIUJVWVYBROD-UHFFFAOYSA-N 413.415 3.934 5 40 HHBB O=C(c1ccccc1)c1ccc(N[C@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 40153779 YNQUSDNEUWTHMR-SFHVURJKSA-N 403.442 3.697 5 40 HHBB COc1ccccc1CNc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 89929987 UVFHOARHEDGNQT-UHFFFAOYSA-N 419.503 3.636 5 40 HHBB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 862142 CGZUVEHWYBXYLU-UHFFFAOYSA-N 403.851 3.775 5 40 HHBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1022545 ZXXQNBBOAUBILB-MRXNPFEDSA-N 414.892 3.693 5 40 HHBB CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)[nH]c2c1 4830393 NSEXKLHYFJUUBA-UHFFFAOYSA-N 402.432 3.609 5 40 HHBB CSc1cccc(N2C[C@@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 25834360 PCFHOVJXRAVZLH-HOCLYGCPSA-N 413.499 3.889 5 40 HHBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2418349 GJSZIWYHGDVWDH-ZDUSSCGKSA-N 413.437 3.983 5 40 HHBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1SCC(=O)N1CCCC1 9351217 ANYKZPRYGDNFAW-UHFFFAOYSA-N 400.456 3.666 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 12361391 VTGXYMRGWNBFJP-IBGZPJMESA-N 417.874 3.844 5 40 HHBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cccc([N+](=O)[O-])c1 16399789 IWOUMEKXSGWKCG-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17089165 WCMLPBBEEBDGBD-UHFFFAOYSA-N 412.471 3.524 5 40 HHBB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3oc4ccccc4c(=O)c3c2)[nH]n1 96004263 TYNYMCNXEOVMND-UHFFFAOYSA-N 413.437 3.939 5 40 HHBB Cc1cc(C)cc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222570701 MZTYELNSUJATBM-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 408623184 RDLCVGZIJXXXNX-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 1380554 SGBUBYAQQUDGDV-UHFFFAOYSA-N 419.363 3.836 5 40 HHBB Cc1c(OCC(=O)N[C@H](C(=O)O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 2118719 OSSLOCNLYPTMCR-NRFANRHFSA-N 417.417 3.576 5 40 HHBB biogenic Cc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 17051856 OFBXGIWBTYVPNB-UHFFFAOYSA-N 424.482 3.633 5 40 HHBB O=C(CCCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 408660972 AFOCLUFJNZIVCQ-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2CCC(C)C 2256144 RHXVTJOUNZJDLG-MRXNPFEDSA-N 405.502 3.828 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3565695 RYOIHNKXNSHPCN-UHFFFAOYSA-N 424.482 3.627 5 40 HHBB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl 16385723 FAVAPOXXXDSALW-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccc([N+](=O)[O-])cc1 408714974 ZVMRTRYJAAZHIT-UHFFFAOYSA-N 424.457 3.980 5 40 HHBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C(C)=O)c1C 1903784 GPCUZDFYFYWDBQ-UHFFFAOYSA-N 421.387 3.505 5 40 HHBB COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2368896 XSVWRPARRHOMAT-UHFFFAOYSA-N 419.872 3.643 5 40 HHBB Cc1c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)oc2ccc(Br)cc12 15565719 QTGWVODRFISSFL-HNNXBMFYSA-N 419.231 3.875 5 40 HHBB COc1ccc(NC(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)cc1Cl 17092000 REXMUMZTHDYZJA-UHFFFAOYSA-N 419.825 3.667 5 40 HHBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 17093046 DBRUDMQZZDHSIX-UHFFFAOYSA-N 422.466 3.805 5 40 HHBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@](CO)(c2ccccc2)C1 513917240 TYXCDVPTNLLAHL-AREMUKBSSA-N 412.489 3.848 5 40 HHBB CN(C)c1oc(-c2cccc([N+](=O)[O-])c2)nc1S(=O)(=O)c1ccc(Cl)cc1 865464 MRQPSHPYESOQEV-UHFFFAOYSA-N 407.835 3.802 5 40 HHBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 3283101 JGANSTALJBFZLT-UHFFFAOYSA-N 400.721 3.645 5 40 HHBB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 4120807 CRTCSXNZYMLSAE-KPKJPENVSA-N 422.485 3.695 5 40 HHBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 4704198 SFGZZGFUQFHTIL-IBGZPJMESA-N 404.430 3.731 5 40 HHBB CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 12554102 OAWBIJKIIQMAJN-NEPJUHHUSA-N 409.430 3.815 5 40 HHBB COc1cc2sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])nc2cc1Cl 17093309 HORUQUZMTQXQCC-UHFFFAOYSA-N 422.875 3.993 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 32101194 FBOSGGHAEZDUNZ-INIZCTEOSA-N 413.739 3.749 5 40 HHBB O=C([C@H]1CC(c2ccccc2)=NO1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 59253206 NGZQIPVIRYCLIO-QGZVFWFLSA-N 407.348 3.679 5 40 HHBB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 222649509 UJEHBRXHYJFQQI-GESALYCCSA-N 414.487 3.986 5 40 HHBB Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C/c1onc(C)c1[N+](=O)[O-] 408996936 KOTKJJKEUPJOLE-FNORWQNLSA-N 414.334 3.681 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC(=S)NCCc1ccccc1 4682437 SKZWKWMKWWAQRR-UHFFFAOYSA-N 412.437 3.732 5 40 HHBB CC(C)c1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 6358967 XKRJBOFLLVOBHZ-GOSISDBHSA-N 416.499 3.548 5 40 HHBB CCn1nc(C)cc1C(=O)O[C@H](c1ccc(Br)cc1)C(C)(C)[N+](=O)[O-] 96013374 PSDGMDWBHGJYIB-OAHLLOKOSA-N 410.268 3.927 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 409008251 XHDTVJNOUZPTFM-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB COc1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 9587893 DWQGGAGAUJKRPL-UHFFFAOYSA-N 420.421 3.990 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 10335057 XUJMDSYRDIZHMX-UHFFFAOYSA-N 419.503 3.740 5 40 HHBB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1[N+](=O)[O-] 15629561 XGEMSLWNSVKTNP-UHFFFAOYSA-N 406.442 3.982 5 40 HHBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccsc2)c(S(=O)(=O)N2CCCC2)c1 48234406 XBVWZSLCTIELAV-MRXNPFEDSA-N 407.517 3.782 5 40 HHBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222762366 PSXRWANUDOEMPP-OALUTQOASA-N 410.455 3.861 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 225015226 OINQAZOFZDSGAT-UHFFFAOYSA-N 410.864 3.876 5 40 HHBB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 5548107 AONQYTHLUJEJMC-YCIYHOANSA-N 410.429 3.780 5 40 HHBB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 6416160 OKZWZCWKBMCWJR-SNVBAGLBSA-N 412.320 3.806 5 40 HHBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 8412972 UBLPGEIUHGHAIR-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C 222678784 QAXCRMSQMQLAJE-QGZVFWFLSA-N 411.502 3.778 5 40 HHBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 885991 FSENBJCRODKMLT-UHFFFAOYSA-N 403.398 3.898 5 40 HHBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1NC(=O)C12CC3CC(CC(C3)C1)C2 6528404 FHICYXMXLJGIRG-UHFFFAOYSA-N 419.437 3.592 5 40 HHBB Cc1ccc(C2=NN(C(=O)COc3ccc(C)nc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 8861987 MDWUCGYQGRCYDS-GOSISDBHSA-N 420.425 3.956 5 40 HHBB CCOc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)s2)c([N+](=O)[O-])c1 11668584 DITXBCGOOMAQNJ-VMPITWQZSA-N 410.835 3.904 5 40 HHBB C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC12CCCCC2 97143480 NGUHXFJIRYQTNC-QGZVFWFLSA-N 401.507 3.864 5 40 HHBB CCc1ccccc1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531784 LNFIEGDHVJEGRL-GOSISDBHSA-N 419.503 3.649 5 40 HHBB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409247562 IFZHKJFWDKCQRZ-DEDYPNTBSA-N 402.410 3.787 5 40 HHBB O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3cc21 13634290 MQFHFRQGYVRIKK-ZDUSSCGKSA-N 421.438 3.831 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1N1CCCC1 15174121 GLYWTNCHVULSIB-UHFFFAOYSA-N 413.402 3.597 5 40 HHBB CN(Cc1ccc(Br)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 31653129 GJVLSDPLCRGFGD-UHFFFAOYSA-N 402.252 3.705 5 40 HHBB Cc1nc2ccccc2nc1COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 32950527 ZKDHAXGYPVXIDV-UHFFFAOYSA-N 406.442 3.806 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c(C)c1 33719058 AYNOYBOAOCIEBC-UHFFFAOYSA-N 412.471 3.894 5 40 HHBB COc1cc(NC(=O)CN(C)Cc2ccc(OC(F)F)cc2)c(C)cc1[N+](=O)[O-] 6051356 LTXYUHYMXSNDEQ-UHFFFAOYSA-N 409.389 3.584 5 40 HHBB Cc1cc(-n2c(C)nc3ncccc3c2=O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 7508760 GLEZBLUUQXSDNZ-UHFFFAOYSA-N 415.409 3.558 5 40 HHBB Cc1cc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)ccc1[N+](=O)[O-] 21481649 MDHFLVPAHFAHKS-MRXNPFEDSA-N 423.347 3.588 5 40 HHBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(OC)c1 89434866 HBPWOSNPPPSTMI-UHFFFAOYSA-N 421.475 3.530 5 40 HHBB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c([N+](=O)[O-])cc1OC 222565647 RKDFNWFYSMGGEV-FJNPEDAXSA-N 400.460 3.596 5 40 HHBB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 40155902 FEOFDCGFBXDTTO-HNNXBMFYSA-N 413.352 3.517 5 40 HHBB O=C(CCCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccco1)N1CCCCC1 58050720 MWQRAHCRDCTFEZ-IBGZPJMESA-N 400.479 3.723 5 40 HHBB Cn1ccnc1C(=O)c1ccc(NCc2ncoc2-c2ccccc2)c([N+](=O)[O-])c1 79061636 OOIDFFHCGQUMJV-UHFFFAOYSA-N 403.398 3.826 5 40 HHBB Cc1ccc(Cn2ncc3c(C(=O)NCc4ccccc4[N+](=O)[O-])cc(C)nc32)cc1 40145522 FWJFXVAJHLWXPJ-UHFFFAOYSA-N 415.453 3.935 5 40 HHBB Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3C(C)C)c(=O)n2c1 100630663 WGJKMGKBCYGLKW-INIZCTEOSA-N 415.497 3.509 5 40 HHBB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccccc1[N+](=O)[O-] 409353899 UHSHKUWPHWIVPW-LICLKQGHSA-N 408.391 3.938 5 40 HHBB COC(=O)c1c(NC(=O)c2nn(C)cc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 669150 ADXBSLKLDAUBRG-JTQLQIEISA-N 420.491 3.580 5 40 HHBB Cc1nn(CC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)c(C)c1[N+](=O)[O-] 2646359 CODAPLMLDWQCAT-KRWDZBQOSA-N 424.457 3.549 5 40 HHBB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6249123 BGWBWEDJGZSNTE-UHFFFAOYSA-N 410.474 3.674 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(COc2ccccc2)oc1=S 8336314 QHHMUCBYUZOWAB-UHFFFAOYSA-N 400.416 3.640 5 40 HHBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2ccccc2)cc1 2350530 RFUORRATRDHAEY-UHFFFAOYSA-N 409.445 3.913 5 40 HHBB O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 3401731 DKTZLTFTFAQDPK-UHFFFAOYSA-N 415.449 3.871 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1 6452985 IXZRAQOSZIVCRJ-UHFFFAOYSA-N 404.872 3.599 5 40 HHBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224313397 ZXFAXQPRKSZKIR-GOSISDBHSA-N 417.893 3.734 5 40 HHBB COc1ccc(CNC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC 3197077 CZSHUCICKLJSOJ-XBXARRHUSA-N 408.357 3.543 5 40 HHBB Cc1cccc(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1[N+](=O)[O-] 4436036 GYEPDZRSZWMSKI-UHFFFAOYSA-N 408.414 3.501 5 40 HHBB COc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 12420114 QXMVKIBRJPYGDL-YBFXNURJSA-N 419.418 3.634 5 40 HHBB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 12628114 XDXVEVCSXIXUBH-UHFFFAOYSA-N 407.430 3.515 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 14139469 ATWDAZLRZGEQNF-UHFFFAOYSA-N 407.392 3.962 5 40 HHBB O=C(NCc1ccco1)c1cc2c(=O)n3ccccc3nc2nc1NC1CCCCC1 20059567 CIDKRTJJSXVLHD-UHFFFAOYSA-N 417.469 3.510 5 40 HHBB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 46432712 SEBQZIHDKSGHFF-MRXNPFEDSA-N 403.822 3.500 5 40 HHBB CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccc(Cl)c([N+](=O)[O-])c1 2796917 PZWNCCSYTPJXKK-UHFFFAOYSA-N 422.865 3.950 5 40 HHBB Cc1cc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c(=O)[nH]1 9599687 AKRQEEJLHZIXCS-UHFFFAOYSA-N 410.226 3.848 5 40 HHBB COc1ccc(C2=N/C(=C\c3csc(Br)c3)C(=O)O2)cc1[N+](=O)[O-] 26433590 HAPIOGCUSZIUQF-WMZJFQQLSA-N 409.217 3.772 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c2oc(=O)sc2c1 4281863 CTNZOZMDXMIUPL-UHFFFAOYSA-N 400.821 3.525 5 40 HHBB CCN1C[C@@H](CN(C)C(=O)c2ccc(SC)c([N+](=O)[O-])c2)Oc2ccccc21 9933173 CHEMWPAOJZZSSB-OAHLLOKOSA-N 401.488 3.676 5 40 HHBB Cc1cc(C(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)ccc1[N+](=O)[O-] 58098185 ZCDCCLDEKSGBST-UHFFFAOYSA-N 416.235 3.558 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 100252237 HTNBCMOEQNYZLQ-ZUOKHONESA-N 413.503 3.994 5 40 HHBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225556361 POVJGVDWFWUVPX-HNNXBMFYSA-N 417.893 3.733 5 40 HHBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2Cc2ccccc2)cc1 2340110 IYEWEFIQEMRHQO-UHFFFAOYSA-N 423.472 3.972 5 40 HHBB COc1cc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1 3271257 LOPAGHAWTNXDND-UHFFFAOYSA-N 405.457 3.953 5 40 HHBB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 5007087 YEJLMUPZXJEGKN-UHFFFAOYSA-N 405.432 3.598 5 40 HHBB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 5549160 ZCOPGHPDWGMNPY-NFJKTXFASA-N 410.429 3.780 5 40 HHBB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 8209265 YPZQCNBVCMZHHD-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB Cc1ccc(OCc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)c([N+](=O)[O-])c1 227143465 OOZBBHUZXKIHCU-UHFFFAOYSA-N 421.442 3.605 5 40 HHBB CCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 3056115 UFZYSPKQCLFDNH-AQTBWJFISA-N 401.850 3.935 5 40 HHBB O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4725835 AFOLPIQCCUIQHI-UHFFFAOYSA-N 415.427 3.884 5 40 HHBB O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9614522 LMEZUFNUAJHQTQ-QHCPKHFHSA-N 420.396 3.741 5 40 HHBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)nn1-c1ccccc1 48274466 NXPVEPBDKUXQIU-UHFFFAOYSA-N 417.425 3.882 5 40 HHBB CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4602075 IZANDHWUALMSLQ-MRXNPFEDSA-N 406.822 3.983 5 40 HHBB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1[N+](=O)[O-] 12984655 KASHJMCUZREMCH-UHFFFAOYSA-N 414.842 3.749 5 40 HHBB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 40115879 WYTGWAZWQBAHCD-RTBURBONSA-N 410.861 3.816 5 40 HHBB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] 44532501 RNLVZOXTJTYBCL-UHFFFAOYSA-N 401.220 3.854 5 40 HHBB CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OC)c1 55536885 VBKNWRXTZITTJV-MRXNPFEDSA-N 406.822 3.681 5 40 HHBB CC[C@@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 58161747 VEKGSQZLJLIFBP-GUXCAODWSA-N 409.486 3.961 5 40 HHBB CN(C)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(F)cccc2s1 5122407 STCYPBYPOMYYDR-UHFFFAOYSA-N 402.451 3.942 5 40 HHBB COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)cc1 9981698 JYVZWQSJABOHPL-UHFFFAOYSA-N 417.472 3.929 5 40 HHBB C[C@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 10643263 HDFWGDUWJADCHV-LBPRGKRZSA-N 421.475 3.573 5 40 HHBB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 32928187 UOXSKRAYRZMLSL-UHFFFAOYSA-N 420.828 3.814 5 40 HHBB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C 224788970 WSIRQJGUBBGXPA-UHFFFAOYSA-N 406.460 3.604 5 40 HHBB O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1 409386581 VDDAJNZVDLLGIB-UHFFFAOYSA-N 404.835 3.920 5 40 HHBB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 8776461 SWASDEDGCVBLPR-SFHVURJKSA-N 400.504 3.798 5 40 HHBB O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 32098222 IQHDLRVCAXCYDS-UHFFFAOYSA-N 421.818 3.894 5 40 HHBB C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1c(F)cc(Br)cc1F 41690066 WACHYYLCXKLDSI-OAHLLOKOSA-N 401.271 3.744 5 40 HHBB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 222649379 UJEHBRXHYJFQQI-YXKWSERDSA-N 414.487 3.986 5 40 HHBB COc1cccc(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1 408673266 QYHFNTHLIADEOJ-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB O=C(O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 6210632 OQOYOSSSZYITAX-XGICHPGQSA-N 406.181 3.920 5 40 HHBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 8475130 BHFXJKHOAYDLPB-UIAACRFSSA-N 421.453 3.573 5 40 HHBB Cc1ccc(Cn2cc(/C=C/c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)c3ccccc32)cc1 9010322 OPRCLVAGJZMTTC-ZHACJKMWSA-N 402.410 3.866 5 40 HHBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 33695000 YYLORXFRFVXLAY-UHFFFAOYSA-N 408.443 3.884 5 40 HHBB CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 72302489 RTFLAUUSHRIVRE-ZWKOTPCHSA-N 403.504 3.584 5 40 HHBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225461025 LIQXFFGTSUMQTF-XLIONFOSSA-N 411.502 3.859 5 40 HHBB Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1Cc1cccs1 3449567 QWFIWQCOCHFCIL-UHFFFAOYSA-N 422.466 3.716 5 40 HHBB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 9713906 LRBOEFXFGGSNDU-LLVKDONJSA-N 418.866 3.652 5 40 HHBB COc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c([N+](=O)[O-])c1 9716048 KSLSPMVQCCLMJY-UHFFFAOYSA-N 424.384 3.991 5 40 HHBB CC1CCN(c2ccc(C(=O)NC[C@@H]3COc4ccccc4C3)cc2[N+](=O)[O-])CC1 26784340 UBUXWNOVKCPZRP-QGZVFWFLSA-N 409.486 3.812 5 40 HHBB O=C(c1ccccc1)[C@H]1C(c2ccc([N+](=O)[O-])cc2)=NO[C@@]12C(=O)Nc1ccccc12 102898694 JHWGXAQPUPVFDH-AUSIDOKSSA-N 413.389 3.676 5 40 HHBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC1CCCCCC1 5694245 VUUFALIBQULARR-UHFFFAOYSA-N 403.479 3.581 5 40 HHBB Cc1ccc(C)n1N(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc([N+](=O)[O-])cc1 408682089 IPLNQDQGFFGMHY-UHFFFAOYSA-N 422.397 3.583 5 40 HHBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409018779 ZEKLMYKDICILLP-OKHBPPCESA-N 416.411 3.843 5 40 HHBB COc1ccc(CSc2nnc3n4ncnc4c4c5c(sc4n23)CCC5)cc1 2449155 HBCNUDSKYYBBPW-UHFFFAOYSA-N 408.512 3.776 5 40 HHBB O=C(/C=C/c1ccc(Br)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1O 9313319 FAZBJWYGFLNLQO-FPYGCLRLSA-N 422.260 3.589 5 40 HHBB Cc1ccc2nc(NC(=O)c3ccc(=O)n(Cc4cccc([N+](=O)[O-])c4)c3)sc2c1 10187977 FCBUHUVLDAAVCJ-UHFFFAOYSA-N 420.450 3.975 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(Sc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 15164417 YQUPHWJQAXVFPS-UHFFFAOYSA-N 424.500 3.548 5 40 HHBB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cc1F 36390809 RLRSBQSTYYEFAI-UHFFFAOYSA-N 413.449 3.519 5 40 HHBB O=[N+]([O-])c1ccc(-c2noc(CN(Cc3cccs3)C[C@@H]3CCCO3)n2)cc1 40118758 ZICPXEZYRFADNR-INIZCTEOSA-N 400.460 3.888 5 40 HHBB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2761612 SKIXCWFXFCNFGX-UHFFFAOYSA-N 416.393 3.916 5 40 HHBB CCOc1nn(-c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 4881455 MCXJDXRONVVWPE-UHFFFAOYSA-N 409.324 3.664 5 40 HHBB C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 5889250 KYYVIHZNPQNCAS-JIEKGTPASA-N 406.866 3.879 5 40 HHBB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)O[C@H](C)C2 12771250 DVLOZLYPZMTWQZ-NEPJUHHUSA-N 403.410 3.895 5 40 HHBB Cc1nn(Cc2c(C(=O)Nc3ccc(F)c(Cl)c3)noc2C)c(C)c1[N+](=O)[O-] 17087785 QCJLVAQTRWEDTG-UHFFFAOYSA-N 407.789 3.798 5 40 HHBB CC(C)c1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220399790 XPGHKUWAURLQFP-AWEZNQCLSA-N 405.476 3.511 5 40 HHBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 225039580 HEPSYSLDYDEEQI-UHFFFAOYSA-N 412.851 3.640 5 40 HHBB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 32127919 WYZVDKHCCDWSRP-UHFFFAOYSA-N 418.862 3.947 5 40 HHBB COc1ccc(C)cc1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 14729762 ILQAKZGSSWKVAE-UHFFFAOYSA-N 400.478 3.831 5 40 HHBB COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O 17091012 XEXCMPIFONHOHN-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(-n2cccn2)cc1 45747299 IGJDCBOIDNDQIM-UHFFFAOYSA-N 408.461 3.657 5 40 HHBB C[N+]1(C)CN(c2ccccc2)C2(CCN(CCCC(=O)c3cccs3)CC2)C1=O 73371808 OBYGBHACHRQVTM-UHFFFAOYSA-N 412.579 3.626 5 40 HHBB Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CO)C1CC1 95443808 HCPDSAZMJIJXTP-SFHVURJKSA-N 424.906 3.518 5 40 HHBB COc1cc(F)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1OC 95457187 UJWIPWLTTIYCLB-UHFFFAOYSA-N 424.328 3.571 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 604483819 LUYZZDKFSBQDBA-INIZCTEOSA-N 415.515 3.508 5 40 HHBB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 2832638 IFAUOHUEYWGYEM-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 7721332 RXKSGNQZOZWVAP-UHFFFAOYSA-N 402.794 3.579 5 40 HHBB COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1C(=O)c2ccccc2C1=O 17091013 CYLBBIFSQUEWJO-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB CCc1nc(S/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C(=O)O)n[nH]1 408632749 SDDVXVUNLYAOMQ-DHDCSXOGSA-N 416.415 3.762 5 40 HHBB CC(C)n1cc(C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 524730657 RMNXXVNBQYWZKM-HOTGVXAUSA-N 420.469 3.552 5 40 HHBB biogenic O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 3300858 BZAZZJQSUHTKEJ-UHFFFAOYSA-N 418.711 3.942 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)N1CCCCCC1 27744266 HJLWIRVRYWDULT-SFHVURJKSA-N 403.504 3.769 5 40 HHBB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2s1 57315607 PTFQFKXIVLLTNH-UHFFFAOYSA-N 400.416 3.814 5 40 HHBB O=C(O)[C@H]1CS[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)N1 408991023 MJDAVWVZZFCIFF-RNCFNFMXSA-N 409.470 3.737 5 40 HHBB O=C(CN1CCN(C/C=C\c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 5772479 DYFMTPXGVVXJFP-DAXSKMNVSA-N 414.893 3.518 5 40 HHBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 9190310 MICBJDRKZOMAHG-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 15117480 OBSZFHVRQYGTHB-UHFFFAOYSA-N 420.425 3.727 5 40 HHBB CCC(=O)Nc1nc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2s1 21595922 JLZVRNWFKDDNFX-UHFFFAOYSA-N 400.416 3.571 5 40 HHBB Cc1ccc2c(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)oc2c1 24455118 DPILNHUNHOMMDA-UHFFFAOYSA-N 422.437 3.969 5 40 HHBB CCN1CCN(c2cc(NC(=O)c3cccc(C)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229092 YHCWXXKOTBFFPF-UHFFFAOYSA-N 402.882 3.951 5 40 HHBB O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 96892220 SWLJQWXGFIGSMR-MHWRWJLKSA-N 411.801 3.720 5 40 HHBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC 408570319 KWXIUXHSDBUMPA-GOSISDBHSA-N 400.460 3.703 5 40 HHBB COc1cc(C(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)c([N+](=O)[O-])cc1OC 5441357 CEFHENGKESATRY-UHFFFAOYSA-N 413.430 3.690 5 40 HHBB O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 8916704 OROJOTNSILXNBM-UHFFFAOYSA-N 423.498 3.626 5 40 HHBB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 11225994 GQTKAGBMKMCPRQ-UONOGXRCSA-N 409.442 3.692 5 40 HHBB O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14342581 DJNFILFEPCRABQ-UHFFFAOYSA-N 411.849 3.601 5 40 HHBB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cn3ccc([N+](=O)[O-])n3)n2)c1 17083146 SHGKQGKJJSYVNX-UHFFFAOYSA-N 405.414 3.845 5 40 HHBB C[C@H]1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2S1 36619773 SHBXNXXBDVWVBH-HNNXBMFYSA-N 413.499 3.963 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 40074355 XCKFYKWBLCNIOJ-MDWZMJQESA-N 400.456 3.963 5 40 HHBB CCCN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409231755 KJPYYTSCACPZJF-ZROIWOOFSA-N 420.219 3.920 5 40 HHBB Cc1c(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] 103718765 BUDOKRKAVLOGPU-LBPRGKRZSA-N 407.348 3.914 5 40 HHBB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC 408588013 VWKWWFRCKDSKEV-UHFFFAOYSA-N 423.447 3.671 5 40 HHBB O=C(Nc1ccc(Cl)c(Cl)c1)OCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 984151 FDFYKEVEKRFUCQ-UHFFFAOYSA-N 424.196 3.746 5 40 HHBB CNS(=O)(=O)c1ccc(Nc2ccc(-c3cn4ccccc4n3)cc2)c([N+](=O)[O-])c1 9219750 OXNNAVRIUPAZDT-UHFFFAOYSA-N 423.454 3.561 5 40 HHBB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 12529118 RHVWVOREFUNBFD-UHFFFAOYSA-N 419.846 3.972 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225153725 AHSHXKDZUNUNPN-UHFFFAOYSA-N 407.473 3.661 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccccc1C 409169319 PKBGBXNKRFJXPR-UHFFFAOYSA-N 413.459 3.618 5 40 HHBB CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1[N+](=O)[O-] 5362895 ZJXKDZCCAYMZDR-UHFFFAOYSA-N 412.442 3.664 5 40 HHBB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 17093614 SVJVGTOGJOSZPQ-UHFFFAOYSA-N 423.498 3.961 5 40 HHBB CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1 18056368 AFCDPNLYLNZAIZ-UHFFFAOYSA-N 404.322 3.639 5 40 HHBB CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 84770976 PGJODSLOKUIUQK-ZDUSSCGKSA-N 424.461 3.836 5 40 HHBB O=[N+]([O-])c1ccc(N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c([N+](=O)[O-])c1 96011401 POLCVAMYKGJKKR-AWEZNQCLSA-N 408.296 3.841 5 40 HHBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccc(Cl)cc2)no1 218053560 PMHRCGGUYACKRZ-UHFFFAOYSA-N 418.862 3.848 5 40 HHBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223630923 NWUUOSHTRUIZAE-UXHICEINSA-N 424.482 3.605 5 40 HHBB Cc1cc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)ccc1[N+](=O)[O-] 609674033 UGTLCRSYJAUYQV-MRXNPFEDSA-N 415.515 3.508 5 40 HHBB O=C(COc1cccc(Br)c1)Nc1nc2ccc([N+](=O)[O-])cc2s1 3293181 CQCKSKKXYLFNGN-UHFFFAOYSA-N 408.233 3.985 5 40 HHBB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 7928231 AGXCUNNOZWNKAN-MRXNPFEDSA-N 411.458 3.720 5 40 HHBB CNc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(OC)nc2)cc1[N+](=O)[O-] 28274549 CJOPGKABXNJWMY-UHFFFAOYSA-N 406.398 3.523 5 40 HHBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 29285363 DSXNTKYOODYGSU-UHFFFAOYSA-N 415.393 3.513 5 40 HHBB Cc1nc(-c2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)cc(=O)[nH]1 32915389 HPJWMMZIUSCNND-LBPRGKRZSA-N 410.455 3.773 5 40 HHBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCCc2ccccc21 5508625 HJLLUOPPBDKALB-XIKOKIGWSA-N 402.834 3.987 5 40 HHBB Cc1cc(Br)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17092079 VKHBIABCDVURBE-UHFFFAOYSA-N 420.263 3.755 5 40 HHBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)S2)cc1 408777292 XUOQCFFDOLDDLG-JZVSFUAJSA-N 415.471 3.774 5 40 HHBB O=[N+]([O-])c1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 2711545 TXXQSLWVJAACEO-UHFFFAOYSA-N 411.892 3.542 5 40 HHBB COC(=O)c1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc([N+](=O)[O-])c1 5559667 UXZVPYZIYQWULY-JEBQAFNWSA-N 421.446 3.542 5 40 HHBB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 9707723 FUKXCEBVWROAOV-UHFFFAOYSA-N 417.468 3.764 5 40 HHBB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F 3537504 AYJGXZRJYPXRAO-UHFFFAOYSA-N 424.417 3.594 5 40 HHBB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1cc([N+](=O)[O-])ccc1F 7016363 TVHZURDJRUFBIO-UHFFFAOYSA-N 411.389 3.890 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1OC 17088360 CSHZRYMFGKAURQ-UHFFFAOYSA-N 409.851 3.701 5 40 HHBB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225135069 HMDKMWRUSPYIOX-HXUWFJFHSA-N 411.502 3.779 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 408648360 XXVPJVPSMVYKPK-JTQLQIEISA-N 424.240 3.902 5 40 HHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccn(Cc2cccc(F)c2)c1=O 5268890 PLLJOZOHYBDNQQ-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB COc1cc(NC(=O)COC(=O)CCSc2ccc(C)cc2)c(C)cc1[N+](=O)[O-] 5867592 LASKFQUHPOZIBF-UHFFFAOYSA-N 418.471 3.884 5 40 HHBB COC(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc([N+](=O)[O-])c1 10105331 OLOHDPNUFSZWBR-UHFFFAOYSA-N 417.468 3.805 5 40 HHBB CCOc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])cc1OC 12796764 MCNLYGJYXFEUHH-QGZVFWFLSA-N 421.881 3.688 5 40 HHBB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 44532588 GJRALJWZTOCVNF-UHFFFAOYSA-N 401.220 3.854 5 40 HHBB Cc1ccc(C)c(N2C(=O)c3cccc4c(NCCCO)c([N+](=O)[O-])cc(c34)C2=O)c1 95470793 XHFVNOFYBNUMQP-UHFFFAOYSA-N 419.437 3.960 5 40 HHBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])o1 408625318 XJLYVFYZKVHYFL-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 4926794 LOLTWZKSOYEASZ-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB O=C(CNC(=O)c1cccs1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 6471703 QWOUXKGBZOSENL-UHFFFAOYSA-N 412.423 3.922 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1 7267478 YUHRTTHGKPTXAA-CYBMUJFWSA-N 407.854 3.595 5 40 HHBB Cc1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2N2CCOCC2)c(C)c1 7572751 YGMWAMVDCFLYHI-DQRAZIAOSA-N 410.499 3.942 5 40 HHBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2C)c(F)c1F 17090997 LMXRSUNROOSSFH-UHFFFAOYSA-N 417.340 3.595 5 40 HHBB O=C(Nc1ccc(-n2cccn2)c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 47678389 BDIYIHRJKUUZRM-UHFFFAOYSA-N 409.421 3.775 5 40 HHBB CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]21 101359451 DWNWFLJGOOEXSQ-WVATUKLVSA-N 403.232 3.615 5 40 HHBB COc1cc(OC)c([N+](=O)[O-])cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222565802 BBEXCTUEDSFGBB-UZCIPKQKSA-N 400.460 3.596 5 40 HHBB CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 223591439 LNDNPFZSDUTWDS-UHFFFAOYSA-N 416.459 3.589 5 40 HHBB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 6417477 ZJIKCKDIBXRLCC-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 9159126 PJLNHFOMLFKWEG-HNAYVOBHSA-N 424.384 3.565 5 40 HHBB O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1cccc([N+](=O)[O-])c1 9614521 ZDLBQCXOLDFMEM-HSZRJFAPSA-N 420.396 3.741 5 40 HHBB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 10186551 VJUNMFQOUIMNOM-UHFFFAOYSA-N 418.384 3.994 5 40 HHBB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1 21133589 KVXKGETWGJAMBF-UHFFFAOYSA-N 418.453 3.884 5 40 HHBB CN(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1 24926754 FJWACMSCEIYMRK-FQEVSTJZSA-N 405.523 3.635 5 40 HHBB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 33626875 CEYZWBYWCVOQRR-AWEZNQCLSA-N 411.487 3.815 5 40 HHBB Cc1nn(Cc2ccccc2C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] 2794433 FJIGWXKYJVQWTP-CYBMUJFWSA-N 422.441 3.676 5 40 HHBB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)n1 4518837 VPHVOIIALATIAQ-UHFFFAOYSA-N 404.425 3.824 5 40 HHBB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(F)cc1[N+](=O)[O-] 4936036 YYKMBQIJOFAPLC-FPYGCLRLSA-N 410.304 3.530 5 40 HHBB CCOc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 5506224 QDZRADJRWYDHPI-UHFFFAOYSA-N 411.414 3.589 5 40 HHBB O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 18078486 YLMSTLJSBUGVCF-UHFFFAOYSA-N 408.502 3.543 5 40 HHBB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 100580348 RQYNFXLABWOWGX-ZNZDAUKMSA-N 408.410 3.740 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O 101050900 UXPXACRHAUOCOU-ZBFHGGJFSA-N 420.208 3.503 5 40 HHBB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 989988 XNWAVXANOAWSEZ-UHFFFAOYSA-N 403.398 3.980 5 40 HHBB O=[N+]([O-])c1cc2c(c(CSc3ncnc4c3cnn4-c3ccccc3)c1)OCOC2 3550343 KSHMMMQZFLILCY-UHFFFAOYSA-N 421.438 3.883 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nccc(C(F)(F)F)n1 26476972 WHPGJDJMLMTEHL-QMMMGPOBSA-N 402.354 3.532 5 40 HHBB O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1 108995041 SEKVNRGJUIDKLJ-UHFFFAOYSA-N 412.383 3.890 5 40 HHBB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 1885482 ALEGMJAWXUZWKK-HXUWFJFHSA-N 421.453 3.588 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CSCN1C(=O)OCc1ccccc1 3666247 QOSMKEBOQCPLED-QGZVFWFLSA-N 401.444 3.553 5 40 HHBB O=C(COc1ccc(Cl)cc1Br)Nc1ccc([N+](=O)[O-])cc1O 5938098 VBYPPJFUXJSJDH-UHFFFAOYSA-N 401.600 3.734 5 40 HHBB O=C(Nc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cccs1 12589481 CWRZFOOMGYGUSW-UHFFFAOYSA-N 410.455 3.751 5 40 HHBB COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1ccc(F)c(F)c1 13003546 RYDMXXFIVWHOMY-SFHVURJKSA-N 417.368 3.933 5 40 HHBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc[nH]n1 32913693 WEZFOGAHPIMEDT-MRXNPFEDSA-N 400.778 3.508 5 40 HHBB COc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc4cc(C(C)C)ccc4nc32)cc1 41074110 KBSXGSJADFIBSE-UHFFFAOYSA-N 412.449 3.859 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 137864606 DKUPHKMYSNNQSX-FHWLQOOXSA-N 421.434 3.707 5 40 HHBB Cc1c(NC(=O)C(C)(C)Br)c(=O)oc2c(C)c3occc(=O)c3cc12 1631594 HUDOVPXYMPVBGY-UHFFFAOYSA-N 406.232 3.628 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](O)c1ccc(Cl)cc1 12523083 BMDGPOQROXHLSG-NRFANRHFSA-N 406.869 3.658 5 40 HHBB CSc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1[N+](=O)[O-] 12777747 HCGKVFVXTCHPQU-VXGBXAGGSA-N 422.532 3.635 5 40 HHBB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 40129641 MDIQGKCQYYKFGR-UHFFFAOYSA-N 402.370 3.615 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)cc1[N+](=O)[O-] 100252244 LBWUIFMZTMLOAC-RBZFPXEDSA-N 413.503 3.994 5 40 HHBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220543772 PSJHHKPRCMKZEW-QGZVFWFLSA-N 419.503 3.703 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C 4130179 HTNBCMOEQNYZLQ-RNODOKPDSA-N 413.503 3.994 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1C 30497832 KDZKJUDUNIKOFK-INIZCTEOSA-N 410.517 3.643 5 40 HHBB O=[N+]([O-])c1cc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc([N+](=O)[O-])c1 15083095 OARAIBAFALVIBT-UHFFFAOYSA-N 402.779 3.990 5 40 HHBB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 19625019 VMYFXAZFSDAFSE-JOCHJYFZSA-N 406.394 3.504 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142623 JAOXXSMMGSHEGB-QGZVFWFLSA-N 403.442 3.907 5 40 HHBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCC2)c1 223794971 SSLBSUSILJHMOV-GOSISDBHSA-N 423.513 3.922 5 40 HHBB CCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(CC)c(=O)c21 5415338 ZHSPJPKZEUSQCW-UHFFFAOYSA-N 412.475 3.785 5 40 HHBB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2cc3cccnc3c3cccnc23)C1 6274486 NYXSRDCOVGOABL-KRWDZBQOSA-N 405.502 3.895 5 40 HHBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223035660 DTAVDRXSOZONKF-PMACEKPBSA-N 424.482 3.869 5 40 HHBB COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2308298 FIJMTEDSBZGSED-UHFFFAOYSA-N 413.481 3.937 5 40 HHBB Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cccc1[N+](=O)[O-] 3438047 DOZWUZBDVCJOPS-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 6508642 BGNPNASNKBCUEV-IBGZPJMESA-N 407.401 3.714 5 40 HHBB CSc1ccc(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 6602216 OMKLDXLQDUPOQE-UHFFFAOYSA-N 414.439 3.550 5 40 HHBB CCCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)n1CC 7342114 MMVQTBQVMWTHGY-UHFFFAOYSA-N 413.297 3.896 5 40 HHBB COC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc([N+](=O)[O-])c1 7779491 CYFJUQHLRZMMDH-UHFFFAOYSA-N 400.721 3.889 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)c(C)c1 58167274 QJSSXTOKKAQICS-AZUAARDMSA-N 419.503 3.728 5 40 HHBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 59294387 WMMOKWVOYWWRKW-UHFFFAOYSA-N 424.438 3.875 5 40 HHBB CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1 95457200 AIOUEOMHNZHBFI-UHFFFAOYSA-N 415.427 3.511 5 40 HHBB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1753028 ALSPJFLKTFSCSX-UHFFFAOYSA-N 414.321 3.649 5 40 HHBB O=[N+]([O-])c1cc(Br)c(I)c(Br)c1 2547548 ZTLNIHDUCWPSGZ-UHFFFAOYSA-N 406.799 3.724 5 40 HHBB O=C(CN1C(=O)CS/C1=C/c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3268280 GYJLVEXRJPLIFC-DJKKODMXSA-N 411.464 3.961 5 40 HHBB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(Br)cc1 4657254 CWKOWFBHWQIAFI-UHFFFAOYSA-N 401.648 3.935 5 40 HHBB Cc1ccc(C)c(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 33793001 BTTXVZKRXDMGNI-UHFFFAOYSA-N 412.471 3.894 5 40 HHBB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c([N+](=O)[O-])c3)N21 222653493 UTTWTUGJHRNNFU-JCURWCKSSA-N 400.460 3.683 5 40 HHBB CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cc(Br)ccc1O 408605248 LHFBHWKXLMQCHL-UHFFFAOYSA-N 422.264 3.888 5 40 HHBB COC(=O)[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CCN1[C@H](C)c1ccccc1 725240112 ZKEDMGQTXQUYGA-CDHQVMDDSA-N 412.442 3.519 5 40 HHBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 10922296 QQRULDWXZWLKRB-KRWDZBQOSA-N 421.906 3.649 5 40 HHBB O=C(COc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12782670 UASASRLTMAJAIG-UHFFFAOYSA-N 410.257 3.629 5 40 HHBB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13982761 LYQGOTXOIFBJJW-UHFFFAOYSA-N 412.402 3.818 5 40 HHBB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 5496847 MQHNEVYZTZMRFB-UHFFFAOYSA-N 405.451 3.923 5 40 HHBB Cc1cccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1C 6968343 LPPVOXSKUHUFQD-UHFFFAOYSA-N 403.866 3.593 5 40 HHBB COc1ccc(S(=O)(=O)Nc2ccc3nc(SC)sc3c2)cc1[N+](=O)[O-] 9511947 IAMWNGIZSRFAKW-UHFFFAOYSA-N 411.486 3.736 5 40 HHBB O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 10222428 KMCSQQXSANENOF-UHFFFAOYSA-N 415.247 3.516 5 40 HHBB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 24195368 YANVQZACZGQOJF-UHFFFAOYSA-N 409.373 3.955 5 40 HHBB O=C1CC(=O)OC(c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)O1 59488736 TTZLTJMBIUEWNL-UHFFFAOYSA-N 402.409 3.844 5 40 HHBB Cc1ccc(Sc2cc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cc([N+](=O)[O-])c2)cc1 103155187 HTKORJTXUQQZNO-NCXUSEDFSA-N 410.451 3.721 5 40 HHBB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225536689 PTIVWZZOONUMRT-HNNXBMFYSA-N 417.893 3.733 5 40 HHBB COc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)c([N+](=O)[O-])cc1OC 409062271 QZUZLPOTUKEDSF-MFOYZWKCSA-N 416.411 3.862 5 40 HHBB C[C@@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3436295 PBQQRLJRERSLEL-CGAJTASUSA-N 418.789 3.561 5 40 HHBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1NC(=O)C12CC3CC(CC(C3)C1)C2 4612050 WKUYXAIDVXYIFI-UHFFFAOYSA-N 419.437 3.592 5 40 HHBB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 8837820 DUYBKUVWMWZCHH-AWEZNQCLSA-N 423.292 3.836 5 40 HHBB O=C(c1csc(-c2ccco2)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12546210 NMIAQCFZIOJLLC-UHFFFAOYSA-N 418.862 3.927 5 40 HHBB CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCCCC1 24493351 SIFNJBUJVFDYIK-UHFFFAOYSA-N 406.483 3.525 5 40 HHBB CCOC(=O)Nc1cc(NCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c(N)n1 31771932 OMUCBWCEISFLOJ-UHFFFAOYSA-N 409.402 3.588 5 40 HHBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 40082702 ZQHHZRCYNJSJCW-SFHVURJKSA-N 403.438 3.760 5 40 HHBB CC[C@@H](C)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 635589 UHUILKIIRLLYKW-CRAIPNDOSA-N 424.453 3.887 5 40 HHBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccccc1-c1ccccc1 878029 NHBBGIMIVZCMPW-UHFFFAOYSA-N 400.398 3.554 5 40 HHBB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 5604746 GDGULFYXNBYCAW-UJKMTWAASA-N 412.401 3.697 5 40 HHBB O=C(Nc1ccccc1C(=O)NCCc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl 29571578 JGSRLYVSIIREKU-UHFFFAOYSA-N 424.844 3.868 5 40 HHBB CCC(CC)C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829784 OQSMIKIZENBXPU-UHFFFAOYSA-N 418.372 3.607 5 40 HHBB C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 58088299 KGRIUMOMQVHSMT-CYBMUJFWSA-N 400.460 3.566 5 40 HHBB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 823767 LGZWIPMNDYXXPN-UHFFFAOYSA-N 404.378 3.887 5 40 HHBB aggregator Cc1cc(OCc2ccc(C(=O)NCCn3nc([N+](=O)[O-])cc3C)o2)ccc1Cl 2796470 AQOVFIALTTZNOQ-UHFFFAOYSA-N 418.837 3.664 5 40 HHBB Cc1[nH]c2ccc(F)cc2c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 4580910 YTCPTPXFMYJTAF-UHFFFAOYSA-N 411.842 3.698 5 40 HHBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1Cl 5959379 QPKKIYXNJJWCKP-UHFFFAOYSA-N 411.867 3.785 5 40 HHBB O=C(N/C(=C\C=C/c1ccccc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 6440750 RZFODZWMXIGJKS-XZSIZXQSSA-N 405.454 3.934 5 40 HHBB COCCNc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] 10546601 BIXODRRCWFOVLO-INIZCTEOSA-N 423.473 3.549 5 40 HHBB CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 17090889 AMMHXGOYAQQAFR-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1csc2c1CC[C@@H](C)C2 2636536 CLETUFGAFPEMOU-LLVKDONJSA-N 404.444 3.585 5 40 HHBB COc1ccc(Oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])cc1 6649809 QWGMHFONFIUIAY-UHFFFAOYSA-N 406.460 3.816 5 40 HHBB CCOc1ccc(CN(CC)C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1OC 21932166 CCYIXNNJHXOZFJ-UHFFFAOYSA-N 401.463 3.730 5 40 HHBB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] 22029522 YNJODFRXHIMOJT-UHFFFAOYSA-N 419.393 3.643 5 40 HHBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223136478 NKBRDBSEYOFAGO-LJQANCHMSA-N 411.502 3.859 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1-c1ccc(C(=O)O)o1 226353885 LUVMCKBMXBTRFJ-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB COc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)c([N+](=O)[O-])c1 409160242 WKOSPBRPLKWZDK-UHFFFAOYSA-N 400.416 3.737 5 40 HHBB CC1CCN(c2ccc([N+](=O)[O-])cc2/C=c2/sc3nc4ccccc4n3c2=O)CC1 409274399 WPXQPNHITDSALO-DEDYPNTBSA-N 420.494 3.601 5 40 HHBB CSc1nc(O)c2c(n1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 4597352 YQLRHSKPOPNTJI-CQSZACIVSA-N 416.459 3.595 5 40 HHBB Cc1ccc(N(CCCCO)C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 8410450 LQMTWKNGIYGXCU-UHFFFAOYSA-N 401.488 3.505 5 40 HHBB CC1(C)CC(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)CC(C)(C)N1 9486929 XQEFZGKBRQSGNK-UHFFFAOYSA-N 408.498 3.750 5 40 HHBB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)O[C@@H](C)C2 12771260 DVLOZLYPZMTWQZ-NWDGAFQWSA-N 403.410 3.895 5 40 HHBB C[C@H](Sc1nncn1Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12797884 ZYEVTHUCHFTFHC-JTQLQIEISA-N 407.839 3.600 5 40 HHBB Cc1ccc(C)c2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc12 17089164 LFIGFZGEJOYKFU-UHFFFAOYSA-N 412.471 3.910 5 40 HHBB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 24199006 QQFYFGWMNQXGHD-UHFFFAOYSA-N 415.405 3.959 5 40 HHBB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3519526 WHXMRVQJNPTTFR-UHFFFAOYSA-N 423.425 3.680 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2ccccc2O)CC1 32828801 TZBIODSEXUOWDM-UHFFFAOYSA-N 412.324 3.554 5 40 HHBB CC(C)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1nc2ccccc2c(=O)[nH]1 89869654 MANKFCGTICAPAP-UHFFFAOYSA-N 419.441 3.897 5 40 HHBB CC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)s1 95467699 GXHAUUPEHMEQSJ-BETUJISGSA-N 417.487 3.720 5 40 HHBB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222514132 WNBHUWXQZLNOBI-LJQANCHMSA-N 419.503 3.902 5 40 HHBB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1[N+](=O)[O-] 408641214 LEBBOONSIHBKCY-GFCCVEGCSA-N 407.348 3.914 5 40 HHBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 4928825 LNPFWPQKVRPLBQ-LJQANCHMSA-N 406.398 3.553 5 40 HHBB CCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(Br)c1 8200236 IERCNOJDBRJWJG-UHFFFAOYSA-N 409.236 3.946 5 40 HHBB COc1ccccc1[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])N1CCCC1 32869508 RJQWAOUITJLSSY-OAQYLSRUSA-N 424.501 3.745 5 40 HHBB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 43346240 NUFMZNIQXNHWRF-UHFFFAOYSA-N 412.446 3.794 5 40 HHBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222762262 PSXRWANUDOEMPP-MOPGFXCFSA-N 410.455 3.861 5 40 HHBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223026712 CFHSWVADRSDDDX-PMACEKPBSA-N 424.482 3.869 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 408562500 QIILDSQEBDWWPL-UHFFFAOYSA-N 418.475 3.722 5 40 HHBB O=C(Nc1ccc(Cl)cn1)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 822792 LCOPIOYUUQEZDU-UHFFFAOYSA-N 422.784 3.696 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@H](c1ccccc1)C1CC1 10044470 ANMGGBPHMVLZQX-HXUWFJFHSA-N 401.488 3.943 5 40 HHBB Cc1nc(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc1-c1ccccn1 12552839 JVZNUZHZTUMRDV-AATRIKPKSA-N 410.411 3.802 5 40 HHBB Cc1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15649438 VGZBHEZWVATRBV-UHFFFAOYSA-N 420.263 3.755 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCCC(c1ccccc1)c1ccccc1 20888080 QYYISSLFZMSOHK-UHFFFAOYSA-N 408.410 3.683 5 40 HHBB COC(=O)c1ccccc1C(=O)c1ccc(NCC(C)(C)CN(C)C)c([N+](=O)[O-])c1 24837553 FPKZFBOLTJWWAS-UHFFFAOYSA-N 413.474 3.612 5 40 HHBB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220410392 VIXLNCOKKBUPLB-AWEZNQCLSA-N 419.503 3.513 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)NC1CCCCC1 408550135 BTUOHEZFGJBVCR-UHFFFAOYSA-N 417.487 3.767 5 40 HHBB CCC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@@](O)(c2ccc(Br)cc2)C1 799708 QLEQYTJRPQGEIU-SFHVURJKSA-N 418.247 3.815 5 40 HHBB COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 9667625 JNFHCCILFSAHOH-UHFFFAOYSA-N 419.397 3.756 5 40 HHBB Cc1ccc(C(=O)c2ccccc2C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 12983978 YIUYGOWEHNAILF-NRFANRHFSA-N 404.422 3.598 5 40 HHBB CSc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 13149794 QPFRLILRJLDANN-UHFFFAOYSA-N 401.473 3.849 5 40 HHBB NC(=O)c1ccc(CNC2(c3cccc(Br)c3)CCC2)c([N+](=O)[O-])c1 84363378 PLEUSXYHVBPUEX-UHFFFAOYSA-N 404.264 3.625 5 40 HHBB C[C@]12CC3CC(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 100294596 MXNSHYIOGBQANN-AYVAEDQWSA-N 413.518 3.910 5 40 HHBB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222514066 WNBHUWXQZLNOBI-IBGZPJMESA-N 419.503 3.902 5 40 HHBB CN1CCN(c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 12737540 WGNKOOSBVPZEMS-UHFFFAOYSA-N 423.300 3.583 5 40 HHBB COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1[N+](=O)[O-] 17091009 ACIUNNHESGNFRL-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB Cc1c(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cccc1[N+](=O)[O-] 20063204 KNYMVNLHJPJEBH-UHFFFAOYSA-N 423.450 3.718 5 40 HHBB Cc1c([C@@H](C)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 40068537 UEGAEWMPODBLJK-CYBMUJFWSA-N 411.437 3.785 5 40 HHBB Cc1c(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cccc1[N+](=O)[O-] 40127700 JTNGQIXFLUSDNF-UHFFFAOYSA-N 407.517 3.765 5 40 HHBB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225135108 HMDKMWRUSPYIOX-FQEVSTJZSA-N 411.502 3.779 5 40 HHBB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1 408614322 AWXDIVPXVSPGAG-UHFFFAOYSA-N 405.410 3.786 5 40 HHBB O=C(NCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 4729873 JVQZRXIZNNLBFW-RCCKNPSSSA-N 401.422 3.682 5 40 HHBB COc1ccc(S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 6627445 RUGBJBXYHZZWTE-UHFFFAOYSA-N 413.407 3.602 5 40 HHBB O=C(CCc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 48287856 ZHPARKREBLLYJK-UHFFFAOYSA-N 404.470 3.861 5 40 HHBB O=C(Nc1ccccc1N1CCCCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 57923433 UCOJOJHMXPFPNH-UHFFFAOYSA-N 424.505 3.724 5 40 HHBB COc1ccc([C@@H](CN2CCCC2)NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 95940847 VTKLYVOELKVTRW-XMMPIXPASA-N 424.545 3.999 5 40 HHBB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225424145 XARHXIPLPOBLGL-ZWKOTPCHSA-N 411.502 3.512 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc(C)c1Br 408646539 PJRMJRIUWOXGNH-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3390499 YPLXTHSEBKNQPZ-JTQLQIEISA-N 418.862 3.614 5 40 HHBB O=C(COC(=O)c1cccc(OCc2ccccc2)c1)Nc1ccc([N+](=O)[O-])cc1 4596680 MIQIGWZOFYUXIR-UHFFFAOYSA-N 406.394 3.969 5 40 HHBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 5508623 HJLLUOPPBDKALB-KZULUSFZSA-N 402.834 3.987 5 40 HHBB COc1cc(NC(=O)COC(=O)COc2ccc3ccccc3c2)c(C)cc1[N+](=O)[O-] 9509925 MIMGKCMKYPFPKZ-UHFFFAOYSA-N 424.409 3.626 5 40 HHBB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9661970 SYIDOJABRJROAE-JTQLQIEISA-N 418.866 3.558 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1nc2ccc(Cl)cc2s1 16450531 AIKFYZVDOFBBSM-UHFFFAOYSA-N 422.875 3.750 5 40 HHBB O=c1sc(-c2ccccc2)nc(Nc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] 107960084 DVGFQZNEHAFTLI-UHFFFAOYSA-N 410.455 3.659 5 40 HHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccccc1 408556762 LLBQWFVAPPORAE-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB C[C@@H]1CCCN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 5176551 PAITYTIFEMHULW-MRXNPFEDSA-N 410.522 3.662 5 40 HHBB O=C(CSc1nnc(CNc2cccc(Cl)c2)o1)Nc1ccccc1[N+](=O)[O-] 8435634 VQMALJYAMUNROV-UHFFFAOYSA-N 419.850 3.974 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nc(COc2ccccc2C)oc1=S 8571595 KEXMGEBEYXQDTO-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1csc(-c2ccccn2)n1 10901451 ZQWPIITWILYYLS-UHFFFAOYSA-N 402.863 3.968 5 40 HHBB CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1cc([N+](=O)[O-])ccc1Cl 32843083 LJAQULMPFIIXDY-UHFFFAOYSA-N 413.764 3.640 5 40 HHBB Cc1sc(=O)n(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1-c1ccc(F)cc1 40130874 OTPSKDHGVOMUDE-UHFFFAOYSA-N 405.382 3.710 5 40 HHBB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 1417279 PTXNTVMJMKPUSF-LICLKQGHSA-N 400.412 3.849 5 40 HHBB O=C1C[C@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc2ccccc2c1 5053249 STSWHPPUMIMXRG-JOCHJYFZSA-N 401.378 3.575 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 5626367 RWJFLVIDOJLMFN-UHFFFAOYSA-N 414.421 3.674 5 40 HHBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1 9010302 LRPPXDOFZGENPZ-LUAWRHEFSA-N 409.398 3.532 5 40 HHBB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1cc(C)ccc1[N+](=O)[O-] 19192746 FUMLSQYJCDPRIQ-UHFFFAOYSA-N 416.459 3.832 5 40 HHBB CN(c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)S(=O)(=O)c1ccc(F)cc1 23606319 ODXHBXUHQGBNDF-UHFFFAOYSA-N 403.391 3.746 5 40 HHBB CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531362 GKAZLNISSTUWMZ-KRWDZBQOSA-N 419.503 3.703 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 7872234 VHGUXVMQTUAPNJ-UHFFFAOYSA-N 417.487 3.639 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2ccc(O)cc2)CC1 32828692 HFHYFSKHKYPNLD-UHFFFAOYSA-N 412.324 3.554 5 40 HHBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 4121306 IEBJQSGECUXKOD-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1/C=C1\SC(=S)N=C1O 13898407 ZASGFBMVJZMFGS-LCYFTJDESA-N 422.465 3.692 5 40 HHBB O=C(O)c1cccc2cccc(C(=O)Nc3nnc(-c4ccccc4[N+](=O)[O-])o3)c12 20496230 BKQORDGVXIEGBN-UHFFFAOYSA-N 404.338 3.749 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc(N2CCCS2(=O)=O)cc1 26710692 MUTNDJQSPLBDNB-UHFFFAOYSA-N 401.366 3.897 5 40 HHBB O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 31413105 FKGAFPIRPGOFII-UHFFFAOYSA-N 402.454 3.983 5 40 HHBB Cc1sc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 40087450 UMHOBLWZVBBPNS-ZIAGYGMSSA-N 403.504 3.504 5 40 HHBB O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408619183 GLJRRMCMWPITEX-UHFFFAOYSA-N 402.451 3.851 5 40 HHBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 4704200 XXZODCRTVHCVCE-QGZVFWFLSA-N 410.821 3.767 5 40 HHBB O=c1c2c3nc4ccccc4nc3n(C[C@H]3CCCO3)c2ncn1Cc1cccs1 5030635 NNKLBCAHMPXLRV-CQSZACIVSA-N 417.494 3.583 5 40 HHBB Cc1cccc(C(=O)OCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)c1[N+](=O)[O-] 7427348 VZABGJBQJYEVJX-UHFFFAOYSA-N 418.471 3.667 5 40 HHBB CC(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 95470747 SJOVLFDMBKMRQV-UHFFFAOYSA-N 405.322 3.659 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 245225616 ZJOUIBDLFHLPAD-PJHRJCEYSA-N 405.520 3.616 5 40 HHBB CCOc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 12599585 RFWCRUGSBYHRRZ-UHFFFAOYSA-N 402.432 3.609 5 40 HHBB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccccc4[N+](=O)[O-])ncnc32)cc1 12643168 KWKZMVWJXHXMLD-UHFFFAOYSA-N 420.454 3.763 5 40 HHBB O=C1CCc2cc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])ccc2N1 12896963 KZMLIEHDPUWVPL-UHFFFAOYSA-N 416.333 3.565 5 40 HHBB COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O 15262553 BKXQMMACTZUEJQ-AUWJEWJLSA-N 416.773 3.527 5 40 HHBB CC1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1 20893168 UNOFSFHHGARRBK-UHFFFAOYSA-N 407.474 3.966 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCCCCC1 27989252 DHPGTKNRGHDNRL-KRWDZBQOSA-N 403.504 3.769 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 40130852 POBFZVVYYOIBEL-GFCCVEGCSA-N 424.379 3.872 5 40 HHBB COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2318126 HXJZHJMIBARYQO-UHFFFAOYSA-N 413.481 3.688 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 12763377 HTBUHMKRRAOHHX-KRWDZBQOSA-N 418.471 3.590 5 40 HHBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1cccc(C(F)(F)F)c1 14890874 ZTMRNSSHADRDBJ-UHFFFAOYSA-N 423.347 3.618 5 40 HHBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 20529125 OLEYFNOUNOYLMW-UHFFFAOYSA-N 403.391 3.827 5 40 HHBB COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 138754468 MUCLUDYMYGQWHF-UHFFFAOYSA-N 419.393 3.886 5 40 HHBB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 222734117 LGYXRQRLXLPAFI-GFCCVEGCSA-N 424.284 3.607 5 40 HHBB Cc1[nH]c2c(C)cccc2c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 4751644 OKKLZLJOCVWFLE-UHFFFAOYSA-N 405.410 3.772 5 40 HHBB Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 4906065 WLYTVCXWQJMXJQ-UHFFFAOYSA-N 401.422 3.726 5 40 HHBB COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 7342078 WRVZCWITYFGSCM-UHFFFAOYSA-N 401.400 3.637 5 40 HHBB Cc1ccccc1OCc1nn(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(=S)o1 8571598 MSOVTMVIXSSSMR-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Br 8814649 LVRMIRGCKSHVEG-UHFFFAOYSA-N 424.276 3.801 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 9231902 UQXDRJRVHNGCHG-LBPRGKRZSA-N 418.247 3.657 5 40 HHBB CC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 16139107 LYUYUJGFJBZHNZ-YCRREMRBSA-N 418.862 3.733 5 40 HHBB CC(C)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(O)c(C(C)C)c1 32817430 FEOUWJMWFJYFRV-UHFFFAOYSA-N 412.490 3.905 5 40 HHBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 98087016 BEOBFZOORJQYCN-CXUHLZMHSA-N 415.383 3.748 5 40 HHBB Cc1c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cccc1[N+](=O)[O-] 223921715 JDVHWNOGRFUPRZ-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 3258013 WGBPTZJHBSYIQT-MRXNPFEDSA-N 401.806 3.577 5 40 HHBB CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 6596940 URHARMPXGJAHFL-UHFFFAOYSA-N 419.459 3.520 5 40 HHBB O=C1[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 102704630 INEDVKVVWCQTTM-PWRODBHTSA-N 415.405 3.646 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 223160934 IZBOBYZORBLHNE-UHFFFAOYSA-N 408.486 3.539 5 40 HHBB C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2653537 FIPAJFHPFFZHFW-OFFHKIPUSA-N 406.341 3.780 5 40 HHBB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20649697 YIZZAJDFTTXXGW-GFCCVEGCSA-N 410.352 3.744 5 40 HHBB COc1ncccc1CNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 30307078 ICVAMHXARFDUOU-UHFFFAOYSA-N 416.484 3.845 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)C(=O)[C@H]2C1 408679936 HJZQFVBXYPMWSB-SJORKVTESA-N 423.400 3.832 5 40 HHBB O=C1N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl 408961700 DLFOVHULMRNMBD-ACAGNQJTSA-N 408.197 3.700 5 40 HHBB O=C(COc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15534409 PIRFVTKOGZMTIX-UHFFFAOYSA-N 410.257 3.629 5 40 HHBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21841586 NUTQRRGGAISICO-UHFFFAOYSA-N 409.364 3.968 5 40 HHBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 24869342 LGLGXCDFPZNMSW-HZPDHXFCSA-N 413.499 3.953 5 40 HHBB CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1O 409005826 GMCZUPZLQQFTLK-BOPFTXTBSA-N 414.439 3.978 5 40 HHBB C[C@H](OC(=O)CCc1ccc2c(c1)OCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12452885 WQWGKOIFRTYZAM-LBPRGKRZSA-N 411.370 3.611 5 40 HHBB CN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 12788867 FOLRFEDHRKEBJM-IBGZPJMESA-N 411.458 3.556 5 40 HHBB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cc([N+](=O)[O-])ccc1Cl 32126978 VNHSOSDGKCMGTH-UHFFFAOYSA-N 418.862 3.947 5 40 HHBB O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 40153037 HZADVHUTHXSAMI-HXUWFJFHSA-N 416.437 3.819 5 40 HHBB CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 95432190 LXGFHAVIXPCPNY-MRXNPFEDSA-N 419.522 3.780 5 40 HHBB Cc1cccn2c(=O)c3cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n(C(C)C)c3nc12 100630660 XSKBONZWILGVIQ-MRXNPFEDSA-N 415.497 3.509 5 40 HHBB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 106787819 FYUBPKVNCHCJMJ-BOPFTXTBSA-N 400.412 3.724 5 40 HHBB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222522453 VYSQEYMQFSAHKC-GOSISDBHSA-N 419.503 3.703 5 40 HHBB O=C1C[C@@H](C(=O)N2CCCc3cc(Cl)ccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 1523814338 ZMAOWLJSBCCPKX-CYBMUJFWSA-N 417.824 3.720 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 7594389 LZSDONOTMRIUJE-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408646655 UAECAMVKVZMSRH-GFCCVEGCSA-N 403.822 3.557 5 40 HHBB COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1O 409140122 CXERZRBZWVGSQI-GZTJUZNOSA-N 414.439 3.978 5 40 HHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409370675 DDMMGMMVBNNBIT-KLDKWKSESA-N 416.433 3.999 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4064198 LAMYFMJPPQILNK-QPJJXVBHSA-N 416.821 3.518 5 40 HHBB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 13669212 KRQPPDUZSVMAMJ-AWEZNQCLSA-N 408.476 3.740 5 40 HHBB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 8417297 IVOKWRBFSJAJAF-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB Cn1c(SCCOc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCC3 40122980 UKBZVJFLODRCCW-UHFFFAOYSA-N 403.485 3.563 5 40 HHBB CCc1cc(N2CCC(N(C)CC(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 72313953 AWYQVEKUTZWFRH-UHFFFAOYSA-N 405.449 3.780 5 40 HHBB CC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)s1 95467700 GXHAUUPEHMEQSJ-STQMWFEESA-N 417.487 3.720 5 40 HHBB O=C(O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225068192 CHEPVIFPNJUERT-UHFFFAOYSA-N 420.830 3.681 5 40 HHBB O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)o1 409347359 LXNJHSDRKUYSLE-UTCJRWHESA-N 404.722 3.788 5 40 HHBB CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 5119784 UZHVXNOFMCHUPQ-FQEVSTJZSA-N 416.499 3.548 5 40 HHBB COc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 6430256 YNJRFUJTYVYNBC-UHFFFAOYSA-N 402.447 3.692 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc2ccccc2s1 9244993 ZLNGUMFZXZVHSR-UHFFFAOYSA-N 419.484 3.568 5 40 HHBB O=C(O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(I)c3)oc12 73641697 JYSNUBMPNTUGTI-UHFFFAOYSA-N 410.123 3.706 5 40 HHBB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408644724 SVACQVMCXFYHJL-LBPRGKRZSA-N 403.822 3.557 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 604483867 WLHPWGBTSDQOCS-MRXNPFEDSA-N 415.515 3.508 5 40 HHBB CCC(=O)Oc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 2059259 DSEPUHMJQKCHNW-SXGWCWSVSA-N 400.774 3.908 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CCCc3ccccn3)nc3ccccc32)cc1 3850493 ZTODVNMCYCBFET-UHFFFAOYSA-N 422.466 3.752 5 40 HHBB biogenic Cc1ccc([N+](=O)[O-])cc1-c1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)o1 4678329 GZIOCTCBDKSTQE-UHFFFAOYSA-N 409.402 3.818 5 40 HHBB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 12763196 CCZKLIOOLDBGIE-QGZVFWFLSA-N 417.874 3.784 5 40 HHBB Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])SC(N)=N2 16958308 UMYAYJQJVGJRLG-GOSISDBHSA-N 407.455 3.765 5 40 HHBB COc1c(Cl)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl 17090478 NUXCKZPUWOIOIS-UHFFFAOYSA-N 416.242 3.743 5 40 HHBB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 224527324 QLDAVAYGMXRISY-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1cnc2c(S(=O)(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cccc2c1 12546039 OQIPLTPILHQKEN-UHFFFAOYSA-N 405.863 3.926 5 40 HHBB O=C(NCc1ccccc1CN1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 18214067 PSHMOZSGCODCPL-UHFFFAOYSA-N 411.483 3.572 5 40 HHBB CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225035467 BAAUTDUOWBJVPT-UHFFFAOYSA-N 405.657 3.836 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3361900 JWCSCRZUUUDRSU-UHFFFAOYSA-N 423.425 3.759 5 40 HHBB CCC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 7238991 MOJHIITXXDEOBC-UHFFFAOYSA-N 404.444 3.764 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9136851 NXPXRDOVXQMQAI-UHFFFAOYSA-N 424.866 3.677 5 40 HHBB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1)OCCO3 9979290 HPBJHOYDHGULFS-CQSZACIVSA-N 423.469 3.977 5 40 HHBB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccccc1[N+](=O)[O-] 26124260 SKVFDYWFCSUVIL-UHFFFAOYSA-N 403.398 3.655 5 40 HHBB Cc1cc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] 40152753 QXAUPGGWHDBAKL-SFHVURJKSA-N 403.385 3.815 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225424108 XARHXIPLPOBLGL-QZTJIDSGSA-N 411.502 3.512 5 40 HHBB COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409057739 QOUMXUMTYHAOFW-UHFFFAOYSA-N 417.849 3.748 5 40 HHBB CCCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 608926932 PQJUNJZCGWJRCX-UHFFFAOYSA-N 416.459 3.679 5 40 HHBB COc1cc(NC(=O)COC(=O)CSc2cc(C)ccc2C)c(C)cc1[N+](=O)[O-] 5061822 ZTDXRZWUMBZGFA-UHFFFAOYSA-N 418.471 3.803 5 40 HHBB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187984 AEGJEIWRSSKDJR-OAHLLOKOSA-N 421.428 3.925 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12757798 KZZJYYDCLXAMNU-UHFFFAOYSA-N 423.347 3.980 5 40 HHBB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 12943200 YSFFVYYNMFVOFL-UHFFFAOYSA-N 408.414 3.782 5 40 HHBB O=C(Nc1ccccc1)C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 24311704 QZWBXNNUKSNHRN-UHFFFAOYSA-N 410.474 3.664 5 40 HHBB C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 25211013 DDZATNIZOZODAO-LBPRGKRZSA-N 402.838 3.814 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 100711675 FKTXAJQBICUBOF-HBMCJLEFSA-N 415.405 3.646 5 40 HHBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 106680487 OICIEYWLTAHIKS-YBEGLDIGSA-N 400.412 3.936 5 40 HHBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225255547 QPBALRYZENKCHE-LJQANCHMSA-N 415.465 3.610 5 40 HHBB CC(=O)Nc1cccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 408637690 NACCABWHFMPUKT-UHFFFAOYSA-N 401.360 3.663 5 40 HHBB Cc1nc2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 13125658 SIXUFPCRMWZDMV-UHFFFAOYSA-N 407.249 3.912 5 40 HHBB aggregator O=C(NC1CCCCCCC1)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102834361 ILWHNTGSJRHBGM-AJHHTPGJSA-N 401.511 3.711 5 40 HHBB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222522840 DUWJOAFXHBROSS-GOSISDBHSA-N 419.503 3.649 5 40 HHBB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)c1 408527917 DEQNKWWCZMDZBM-UHFFFAOYSA-N 415.789 3.942 5 40 HHBB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 7006553 WIHHAAMSUSMUNX-LBPRGKRZSA-N 407.854 3.724 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)c2ncccc12 97380116 SCSLZZZBYKSHFG-MRXNPFEDSA-N 401.419 3.808 5 40 HHBB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 113833583 JOXALPMEAAOTHZ-LICLKQGHSA-N 400.412 3.896 5 40 HHBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 208492378 MOSUPAIZQQWIDQ-CXUHLZMHSA-N 416.411 3.763 5 40 HHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223090561 GJHYEBNTJXVFOK-CVEARBPZSA-N 415.465 3.608 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(SCc2ccccc2)s1 224324876 SYEQBGZOIFSNKV-UHFFFAOYSA-N 422.513 3.848 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] 408917256 PWWWGWYPDRWMSN-CXUHLZMHSA-N 415.383 3.748 5 40 HHBB O=C(NN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 408988838 GCZFEXUKPDJWSX-ZROIWOOFSA-N 403.803 3.630 5 40 HHBB O=C(CSc1cc(Cl)ccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 3241430 WNPAUUYXTHQDQY-CQSZACIVSA-N 401.271 3.844 5 40 HHBB Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 4553106 LQOSFJWEWWFILO-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB O=C(CNC(=O)c1ccccc1F)OCc1cc(=O)oc2ccc3ccccc3c12 6886349 XOQTYNBFEYRRGA-UHFFFAOYSA-N 405.381 3.559 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314578 CUIZNDNSFZUJKE-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12795176 LJTBNAJDRFZGJT-UHFFFAOYSA-N 412.471 3.582 5 40 HHBB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] 18046647 QEWPLKIICNLJES-SSZFMOIBSA-N 410.389 3.787 5 40 HHBB CC(C)NC(=O)c1ccc(NCc2ccc(C(=O)N(C)C(C)C)cc2)c([N+](=O)[O-])c1 25567555 XDLGPBOBFBKWLR-UHFFFAOYSA-N 412.490 3.826 5 40 HHBB O=C(Nc1cc([N+](=O)[O-])ccc1F)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102833335 LJJNKGFMSLLFBY-VMFHFQHDSA-N 419.844 3.913 5 40 HHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1 409198803 LBQJAYKUBNKTGJ-LDADJPATSA-N 419.393 3.956 5 40 HHBB Cc1nn(CC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)c(C)c1[N+](=O)[O-] 2646360 CODAPLMLDWQCAT-QGZVFWFLSA-N 424.457 3.549 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2ccccc2Cl)c1=O 5269908 QSUVOEWSOYXENP-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Br)c([N+](=O)[O-])c1 12999102 AKOLLQKZFPMPEC-UHFFFAOYSA-N 418.247 3.636 5 40 HHBB Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc(C)c1C 13930263 BLTQZCPCHNDZPA-UHFFFAOYSA-N 411.281 3.803 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(C)n1Cc1ccccc1 877771 SARHJXUYATXTAN-CQSZACIVSA-N 411.487 3.971 5 40 HHBB COc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1Br 1041611 DLBIKUKCJINMNO-NTEUORMPSA-N 403.188 3.710 5 40 HHBB O=C(O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1O 3146427 LFRIRGSNDMNCAA-UHFFFAOYSA-N 420.333 3.592 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])cc1C 5866157 ZZSLZAHGUGZXDB-UHFFFAOYSA-N 407.766 3.569 5 40 HHBB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2cc3ccncc3c3ncccc23)C1 6274480 ADCGBFOEFASIJK-QGZVFWFLSA-N 405.502 3.895 5 40 HHBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)NC(=O)NCCC(C)C)cc1 7597613 YTBVXMHNHSIFRS-UHFFFAOYSA-N 415.446 3.521 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 7928443 SZYMWJJFFXIUIQ-OAHLLOKOSA-N 405.410 3.748 5 40 HHBB C[C@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 15931879 PQXSWFOGRMAMAY-DNNUUEAESA-N 419.222 3.774 5 40 HHBB CCOc1ccc(-c2noc(-c3cccn4c(=O)c5ccccc5nc34)n2)cc1OC 21730385 AGGWUCYQJRDPOQ-UHFFFAOYSA-N 414.421 3.972 5 40 HHBB O=C(NC(=S)Nc1ccccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408628892 XQCKPXMNCBTAQE-UHFFFAOYSA-N 404.879 3.975 5 40 HHBB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 4977532 ZMNMHSOYCMFCAB-UHFFFAOYSA-N 405.140 3.975 5 40 HHBB C[C@H]1C[C@H](C)CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 5186557 RLDAPFNEUZJIIG-IRXDYDNUSA-N 424.549 3.908 5 40 HHBB CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C)CC1 11323888 UYODCNYHRSCYBU-UHFFFAOYSA-N 402.882 3.951 5 40 HHBB C[C@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C1 13806433 LDBQBHPUVKAVTG-CALCHBBNSA-N 424.549 3.908 5 40 HHBB Cc1c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cccc1[N+](=O)[O-] 15661263 MFOGYMPKPPHTBW-UHFFFAOYSA-N 406.442 3.982 5 40 HHBB CCOC(=O)C1CCN(C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 38198496 DNAMRBPHVLKPPZ-UHFFFAOYSA-N 402.454 3.680 5 40 HHBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OC)cc1 408567789 HJTQIGNAHBCXRE-SFHVURJKSA-N 400.460 3.703 5 40 HHBB O=Cc1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2cc(Br)ccc2O)n1 408608915 XPQYDNBJKLAJEY-UHFFFAOYSA-N 421.232 3.812 5 40 HHBB CCn1c(COc2ccccc2F)nnc1Sc1ccc(C=O)cc1[N+](=O)[O-] 409384780 DDULOMJYADSZPF-UHFFFAOYSA-N 402.407 3.888 5 40 HHBB COC(=O)c1c(NC(=O)c2nn(C)cc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 669151 ADXBSLKLDAUBRG-SNVBAGLBSA-N 420.491 3.580 5 40 HHBB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 15882003 IMIZBQKBMHJADW-HNNXBMFYSA-N 422.509 3.663 5 40 HHBB Cc1c(Cl)cc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1[N+](=O)[O-] 32098044 CMWOEXHDECYWSK-UHFFFAOYSA-N 409.855 3.683 5 40 HHBB COc1ccc(-c2noc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)n2)cc1OC 57378435 ULGPGQVUWMYCPD-UHFFFAOYSA-N 418.837 3.947 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 245225615 ZJOUIBDLFHLPAD-LXJHJBAVSA-N 405.520 3.616 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)OCCN1C(=O)c2cccc3cccc(c23)C1=O 4419323 VHMCALOWGWFDBA-UHFFFAOYSA-N 405.366 3.593 5 40 HHBB O=[N+]([O-])c1ccc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c([N+](=O)[O-])c1 8396752 RVIRSKPSNAEMDX-UHFFFAOYSA-N 421.416 3.504 5 40 HHBB O=C(Nc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15007931 ALBPKKBTIHKLHV-UHFFFAOYSA-N 424.226 3.585 5 40 HHBB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 40148920 ZTYYUJBFPPGHMU-NSHDSACASA-N 423.256 3.788 5 40 HHBB Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nn12 408576919 YVDOFXZHFUXTKP-MDZDMXLPSA-N 406.427 3.721 5 40 HHBB CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OC(=O)CC 818009 PRATYCTZSPZFJL-YBEGLDIGSA-N 424.409 3.962 5 40 HHBB O=[N+]([O-])c1ccc(Sc2nnc(-c3cccnc3)n2Cc2ccco2)c([N+](=O)[O-])c1 1831936 KMFYJCVJERLCNZ-UHFFFAOYSA-N 424.398 3.949 5 40 HHBB C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 5712004 NXGAKJDJRUCNPG-ZDUSSCGKSA-N 401.394 3.518 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Cl 9653989 GFINWYDZJJGHMA-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2sccc2C1 10922302 QQRULDWXZWLKRB-QGZVFWFLSA-N 421.906 3.649 5 40 HHBB Cc1ccc(C)c(OCc2nnc(Sc3ncc([N+](=O)[O-])c(NC4CC4)n3)o2)c1 26699481 UGHWIQQMXSNNDV-UHFFFAOYSA-N 414.447 3.689 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 100918350 INEDVKVVWCQTTM-HBMCJLEFSA-N 415.405 3.646 5 40 HHBB Cc1ccc(C)c(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 101847197 CZYFRFJXXXEKSW-ZULIPRJHSA-N 408.410 3.671 5 40 HHBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 223630962 NWUUOSHTRUIZAE-VQTJNVASSA-N 424.482 3.605 5 40 HHBB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 2796305 QCHHVKCMBUYPBK-UHFFFAOYSA-N 422.441 3.804 5 40 HHBB Cc1onc(-c2ccccc2)c1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 4444768 RQADRMXOLLFWDH-UHFFFAOYSA-N 406.354 3.965 5 40 HHBB COc1ccccc1CN(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 7191849 AFDQYJGEQXSOQL-UHFFFAOYSA-N 404.366 3.533 5 40 HHBB Cc1nnc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)s1 9166870 FNPAEPZGZQKIMC-QMMMGPOBSA-N 407.502 3.998 5 40 HHBB COc1ccc(C2=NC(=O)[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)S2)cc1 9633173 AWXPDAJPFHRIHK-OAHLLOKOSA-N 419.846 3.674 5 40 HHBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1OC 408544839 VNHYZHZWIUNPRR-PLNGDYQASA-N 416.171 3.683 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409364952 WVVMLONSRBNFKT-LZYBPNLTSA-N 418.814 3.873 5 40 HHBB Cc1ccc(NC2=N[C@H](c3cc([N+](=O)[O-])ccc3Cl)n3c(nc(C)cc3=O)N2)cc1 9239906 ZNFXKQANUFAEEG-SFHVURJKSA-N 424.848 3.862 5 40 HHBB O=C(NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1)c1ccccc1 10781491 IETCNAJRGIXFRS-UHFFFAOYSA-N 409.467 3.844 5 40 HHBB Cc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc1[N+](=O)[O-] 22906608 BDNWIBOFNUJWOU-QHCPKHFHSA-N 416.481 3.828 5 40 HHBB O=C([C@@H]1CCCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 32760131 MFXIGBXLRFXSDC-HXUWFJFHSA-N 416.481 3.912 5 40 HHBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36046384 LYWWNMYPMMYEHO-MQIPJXDCSA-N 401.492 3.780 5 40 HHBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 4928826 LNPFWPQKVRPLBQ-IBGZPJMESA-N 406.398 3.553 5 40 HHBB CN(CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1 24471026 IGCLSZIGQJTUCJ-UHFFFAOYSA-N 413.521 3.793 5 40 HHBB COC(=O)c1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)cc([N+](=O)[O-])c1 40090414 UVTZKAAZNDIYRC-UHFFFAOYSA-N 424.331 3.873 5 40 HHBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1c2c(nc3ccccc13)CCC2 2633819 BVVDKAGGZZCOGG-UHFFFAOYSA-N 406.394 3.855 5 40 HHBB Cc1ccc(NN2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c(C)c1 3044975 IOXJXEWXMILHNL-UHFFFAOYSA-N 406.354 3.896 5 40 HHBB C[C@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cl)cc1Cl 3447393 LRVNRXQHKKQQQW-PORFMDCZSA-N 410.213 3.880 5 40 HHBB O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 4688175 FIWQRWDPXPQJPZ-UHFFFAOYSA-N 404.275 3.682 5 40 HHBB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 8417287 FMWFKPYEGZICDD-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc([N+](=O)[O-])cc1Cl 9438620 DZGLFLVBHLJYIS-UHFFFAOYSA-N 417.830 3.549 5 40 HHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 12908016 APQHLRCDEKPCCJ-UHFFFAOYSA-N 412.258 3.784 5 40 HHBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 13647322 PZOHUBQAACXFED-UHFFFAOYSA-N 416.430 3.791 5 40 HHBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 18178446 NHKZQPFXZRNZHB-CEXWTWQISA-N 421.434 3.707 5 40 HHBB CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 22696489 ATUXYRQPRZQMKJ-HNNXBMFYSA-N 413.927 3.549 5 40 HHBB CCc1nn2c(=O)cc(COc3ccc([N+](=O)[O-])cc3Cc3ccccc3)nc2s1 32789092 FGYQNZZVTQWRCH-UHFFFAOYSA-N 422.466 3.791 5 40 HHBB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 40140978 DIFDRJQAWXKWKS-UHFFFAOYSA-N 423.516 3.862 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(I)cc1 104626427 VEXCBNIBMNLGIH-UHFFFAOYSA-N 412.183 3.525 5 40 HHBB COc1ccc2nc(NC(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2c1 2224872 HKLMYNXMUUCXPL-UHFFFAOYSA-N 415.456 3.820 5 40 HHBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)c1 5025707 AQOGCQZLGTUXJR-UHFFFAOYSA-N 400.370 3.611 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 7574049 LZBXGWMWHRRIRY-UHFFFAOYSA-N 413.817 3.719 5 40 HHBB Cc1nc2ccccc2n1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 14815311 MGPGJQUWKROUCR-UHFFFAOYSA-N 410.477 3.629 5 40 HHBB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 22029419 OUPIQJPUWKHGEJ-UHFFFAOYSA-N 419.393 3.643 5 40 HHBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O 36127386 SGDNUSFRORCDHN-OVCLIPMQSA-N 404.375 3.685 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(Cl)c1 409159577 NTASFTJGTRAGMH-OVCLIPMQSA-N 417.830 3.923 5 40 HHBB C[C@@H](Sc1nncn1Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12797881 ZYEVTHUCHFTFHC-SNVBAGLBSA-N 407.839 3.600 5 40 HHBB CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 17087312 DKQIWXGNOMDLGD-UHFFFAOYSA-N 406.442 3.859 5 40 HHBB Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1 26841122 UVOVORPKWBEAJW-MOSHPQCFSA-N 405.410 3.584 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCCC[C@@H]3O)c([N+](=O)[O-])c2)c(C)c1 58167271 QJSSXTOKKAQICS-QUCCMNQESA-N 419.503 3.728 5 40 HHBB CCc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)C2)cc1 409107676 SLQOKQPGGFLHSL-GOSISDBHSA-N 407.348 3.658 5 40 HHBB Cc1ccc(Nc2nc(COC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)cs2)cc1 3367056 WSLUNKZDAICAKD-UHFFFAOYSA-N 401.448 3.660 5 40 HHBB COCc1c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)oc2ccccc12 5199156 UXNDXAUQDVPAQL-UHFFFAOYSA-N 409.354 3.894 5 40 HHBB CN(Cc1ccc(Cl)cc1)C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 9352626 ASRCLBUPLCXENR-UHFFFAOYSA-N 408.863 3.542 5 40 HHBB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1Cl 9882716 RLFFOFVUAVPAPD-UHFFFAOYSA-N 415.755 3.978 5 40 HHBB CNS(=O)(=O)c1ccc(Oc2ccc3c(C(C)C)cc(=O)oc3c2)c([N+](=O)[O-])c1 15166686 BBRHMNUMOVNATH-UHFFFAOYSA-N 418.427 3.525 5 40 HHBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 23157597 LYWWNMYPMMYEHO-HSMVNMDESA-N 401.492 3.780 5 40 HHBB O=C(O)[C@@H]1CS[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)N1 408991026 MJDAVWVZZFCIFF-TVQRCGJNSA-N 409.470 3.737 5 40 HHBB Cc1ccc(C(=O)N2[C@@H](C(=O)O)CS[C@@H]2c2ccccc2Cl)cc1[N+](=O)[O-] 1077536 QQGWSJVHUOYLSA-NVXWUHKLSA-N 406.847 3.898 5 40 HHBB CC(=O)Nc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 2796450 ZCEADYUQOSPEES-UHFFFAOYSA-N 407.430 3.667 5 40 HHBB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 4834694 YYAHBJXPNPVDLT-AQTBWJFISA-N 410.389 3.787 5 40 HHBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])o1 8571656 CCXYANSFSHJKKT-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 9312883 VSFJRMLOGUIBII-OKYOBFRVSA-N 414.259 3.540 5 40 HHBB O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9714846 FUPDFZIABAHLTH-UHFFFAOYSA-N 424.226 3.585 5 40 HHBB COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 408675722 BWBQWWJAZOBSTR-UHFFFAOYSA-N 419.393 3.886 5 40 HHBB O=c1n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2c2nc(-c3cccc(F)c3)nn12 1889201590 PYQAMRUGOUKDQL-UHFFFAOYSA-N 415.384 3.807 5 40 HHBB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 4687322 SGAXZMGMIKMKPR-UHFFFAOYSA-N 401.444 3.679 5 40 HHBB COc1cccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 6470687 AYYDNKCPAQWQDO-UHFFFAOYSA-N 413.407 3.655 5 40 HHBB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc21 16749580 SXSKABYWQVFKEM-NSHDSACASA-N 416.817 3.585 5 40 HHBB COc1ccc(Cn2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)cc1 40398788 XWGHUTSVSTVWAU-UHFFFAOYSA-N 403.482 3.814 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 45354853 NQSFOSUYVZUFEG-LBPRGKRZSA-N 407.348 3.914 5 40 HHBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1 1512734 RKHULYNMYFJETC-ZRDDSIGQSA-N 414.392 3.611 5 40 HHBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(Cc2ccccc2F)CC1 13008831 YCJPFNOAUBYMHC-UHFFFAOYSA-N 409.417 3.952 5 40 HHBB O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CCN(Cc2ccccc2)CC1 13574189 QSPRHSDHPFJWQU-UHFFFAOYSA-N 401.513 3.602 5 40 HHBB Nc1ccc(Cl)cc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 16477592 AQHVVLBJOOGISY-IBGZPJMESA-N 417.874 3.898 5 40 HHBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 205684125 OPCXAVACKJVACZ-VGOFMYFVSA-N 422.802 3.718 5 40 HHBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)n1-c1ccc(F)cc1 408576518 XODDRAGCPMKWOG-KRWDZBQOSA-N 402.407 3.554 5 40 HHBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)C1CC1 9139022 YGIBHMGENQUGPM-INIZCTEOSA-N 419.231 3.990 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(Sc2nc3ccccc3n2C)c([N+](=O)[O-])c1 9684427 GFZOADWUNPALJT-UHFFFAOYSA-N 420.516 3.663 5 40 HHBB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 15882009 VRTFJHAEWBMIFL-HNNXBMFYSA-N 422.509 3.663 5 40 HHBB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)o1 19625014 VMYFXAZFSDAFSE-QFIPXVFZSA-N 406.394 3.504 5 40 HHBB C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 21134211 NQSXXGBNVTYTJR-UONOGXRCSA-N 400.456 3.596 5 40 HHBB Cc1cccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1[N+](=O)[O-] 32930205 LJCLPVSNMFMUIM-UHFFFAOYSA-N 408.380 3.716 5 40 HHBB C[C@H]1CN(C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 40135259 DVNPVGXNKBKSGO-ROUUACIJSA-N 423.513 3.904 5 40 HHBB COC(=O)c1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 408573364 CUJIQLCBFNZUTO-UHFFFAOYSA-N 406.485 3.804 5 40 HHBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408676723 BHFXJKHOAYDLPB-YSGRDPCXSA-N 421.453 3.573 5 40 HHBB O=c1[nH]c(SCc2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccc(Cl)cc1 10613178 WNCCNSPMZWUAGI-UHFFFAOYSA-N 413.846 3.963 5 40 HHBB COCc1nnc(-c2cccc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c2)o1 95988943 GUPOANSAFLDQRR-UHFFFAOYSA-N 408.414 3.596 5 40 HHBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224814969 VSKGIBXWUPYASA-OAHLLOKOSA-N 417.893 3.734 5 40 HHBB OCCCNC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408975817 NWQVHJMQMDOBJW-UHFFFAOYSA-N 414.494 3.548 5 40 HHBB Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c1oc(=O)c1ccccc12 2111761 HZWVSGUDWHUFOI-CRICUBBOSA-N 421.493 3.787 5 40 HHBB biogenic Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 7909551 JWLBDBGASLCXMR-UHFFFAOYSA-N 408.483 3.989 5 40 HHBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 8571639 VLPQQEUBNFPGOO-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 17045099 ZXABMUGOSSOPLJ-CGYQNGNCSA-N 417.421 3.564 5 40 HHBB COc1c(C)cccc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 17082389 PYTRNBKRANMVAE-UHFFFAOYSA-N 402.457 3.648 5 40 HHBB COC(=O)c1nc(NC(=O)Cn2ccc3c([N+](=O)[O-])cccc32)sc1CC(C)C 96118814 HLBMEXOPQOMFCU-UHFFFAOYSA-N 416.459 3.630 5 40 HHBB O=C(c1ccccc1)[C@@H]1C(c2ccc([N+](=O)[O-])cc2)=NO[C@@]12C(=O)Nc1ccccc12 102898690 JHWGXAQPUPVFDH-WMZHIEFXSA-N 413.389 3.676 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 2065975 XQXSYAZDGAYCFQ-UHFFFAOYSA-N 417.333 3.535 5 40 HHBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc12 2092185 XGFYDOLYQKTPRK-LBPRGKRZSA-N 413.426 3.773 5 40 HHBB biogenic Cc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)cc1 17051850 FSWWQOVSMKLYRD-UHFFFAOYSA-N 424.482 3.633 5 40 HHBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c(F)c1F 17091000 LNWAWHYBCZYRAG-UHFFFAOYSA-N 417.340 3.595 5 40 HHBB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39759491 RDOIWWKGSLWSHT-UHFFFAOYSA-N 409.402 3.882 5 40 HHBB CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 107978013 ZEUYWVJDZQCIPZ-HJWRWDBZSA-N 403.387 3.578 5 40 HHBB O=C(CS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 1454870 NOMWGIYGRJAMDL-UHFFFAOYSA-N 420.390 3.619 5 40 HHBB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 4585457 FQYNYGWWVOIZCO-UHFFFAOYSA-N 400.394 3.855 5 40 HHBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 4928844 OVZXVXTUIFIMOC-IBGZPJMESA-N 406.398 3.553 5 40 HHBB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)c1 5003133 UKRLTVZQTAIGCF-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CC(C)c1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 5054731 SBRBXYPGYFTZHA-UHFFFAOYSA-N 407.426 3.761 5 40 HHBB Cc1cc(C)c(C)c(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 101847181 WFXIMDQQONVABX-QIJZPMMNSA-N 422.437 3.979 5 40 HHBB COC(=O)c1cc(-c2csc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)n2)c[nH]1 577458248 HYKNMZZJBZNYPQ-SNVBAGLBSA-N 400.416 3.575 5 40 HHBB Cc1ccccc1NC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2171220 IVHGROUXJSHXOC-UHFFFAOYSA-N 418.456 3.837 5 40 HHBB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 5555418 YJUAPTBYBATCEA-UHFFFAOYSA-N 407.835 3.818 5 40 HHBB Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc2c1oc(=O)c1ccccc12 15955010 HZWVSGUDWHUFOI-SSOJOUAXSA-N 421.493 3.787 5 40 HHBB biogenic O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 19228852 HTFNBXPQEUDLAV-HNNXBMFYSA-N 402.665 3.811 5 40 HHBB O=C(c1ccccc1)c1ccc(NC[C@H]([C@H]2CCOC2)N2CCCC2)c([N+](=O)[O-])c1 58162678 VDHBOXBLCGIUKP-SIKLNZKXSA-N 409.486 3.739 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3ncccc3c2)c([N+](=O)[O-])c1 58179700 PCRZIUDDBSFVPB-UHFFFAOYSA-N 401.444 3.966 5 40 HHBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222608590 NJFBZOISFWNYNI-IBGZPJMESA-N 415.465 3.608 5 40 HHBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@H](C)C2 2080083 DZJYFFUHZVVAQS-VIFPVBQESA-N 419.415 3.728 5 40 HHBB Cc1c(O[C@H](C)C(=O)NC[C@H](O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 6659578 BSPNMOIRUNESNA-IERDGZPVSA-N 417.461 3.872 5 40 HHBB COCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)cnc21 8836714 NPGVBHTWLKIZJW-UHFFFAOYSA-N 419.872 3.643 5 40 HHBB COc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 28669666 YUJQKVNXBIZHIA-UHFFFAOYSA-N 405.454 3.715 5 40 HHBB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 58155609 BOYWPLQARKNHSA-LBPRGKRZSA-N 401.366 3.534 5 40 HHBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224055371 QWVNUDVVHFGSJO-HNNXBMFYSA-N 415.465 3.608 5 40 HHBB CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccnc1 877882 NJWGOPKNKGLMSZ-ZDUSSCGKSA-N 412.475 3.696 5 40 HHBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 5859091 NDKXYCVYJWXMLX-UHFFFAOYSA-N 400.460 3.769 5 40 HHBB CCN1CCN(c2cc(NC(=O)c3ccccc3C)c(Cl)cc2[N+](=O)[O-])CC1 72229090 RWQDTGOVOJNCCZ-UHFFFAOYSA-N 402.882 3.951 5 40 HHBB O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408627831 ODRFBKTYTAZJED-UHFFFAOYSA-N 404.879 3.975 5 40 HHBB O=C(COc1ccc(Cl)cc1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 4120121 JJVKVUANQHKIOK-UHFFFAOYSA-N 405.863 3.759 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 4926731 NHMPCZJFHYZJCH-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB CC(=O)Nc1ccc2c(COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc(=O)oc2c1 28938928 IMXADCGQMFZOHE-UHFFFAOYSA-N 416.773 3.670 5 40 HHBB COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 52778638 SRJFZOYSSUJJIJ-UHFFFAOYSA-N 405.370 3.901 5 40 HHBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 95993050 GNQDZQJPKXFBOY-KRWDZBQOSA-N 411.506 3.630 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@H]2C1 408677662 DWRYHWBAQMNRIT-ZBFHGGJFSA-N 423.400 3.832 5 40 HHBB Cc1ccc2cc3c(nc2c1)sc1c(SCC(=O)N2CCOCC2)ncnc13 1327800 GBSWSNVHAFXATD-UHFFFAOYSA-N 410.524 3.652 5 40 HHBB O=C(CCc1ccccc1)NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 48309842 JHMVNHRYJOIWFP-UHFFFAOYSA-N 404.470 3.861 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 604483866 WLHPWGBTSDQOCS-INIZCTEOSA-N 415.515 3.508 5 40 HHBB CCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1[N+](=O)[O-] 817499 IZQBLJODZNIEQP-UHFFFAOYSA-N 412.183 3.850 5 40 HHBB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 4301692 NOMVSDQTOAIXOV-KURKYZTESA-N 415.833 3.503 5 40 HHBB CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 5173199 CYNJOWWAXFLQMQ-UHFFFAOYSA-N 403.338 3.590 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@H]1CCCc2ccccc21 5894341 RPCCHDLOWMUPTJ-SFHVURJKSA-N 401.488 3.869 5 40 HHBB C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NC[C@@H](O)c1ccccc1 6659863 BRWGPMGYXODUQH-YCRPNKLZSA-N 403.434 3.563 5 40 HHBB CCn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cc(C)ccc3nc21 16974885 ISNIDBPIJZFGHA-UHFFFAOYSA-N 411.443 3.622 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 40087604 GNZHROXQHUCQNV-CYBMUJFWSA-N 419.384 3.687 5 40 HHBB COc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)cc1OC 408528415 DZTSKKCVROTAOR-UHFFFAOYSA-N 415.789 3.942 5 40 HHBB Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1[N+](=O)[O-] 409176782 XOZGGKIZSZKISP-UHFFFAOYSA-N 408.366 3.771 5 40 HHBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 409351888 BLHNQFSZGLNXEH-LICLKQGHSA-N 411.439 3.887 5 40 HHBB O=C(N[C@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 889265 BXVXVZJIFVVCCK-SNVBAGLBSA-N 414.723 3.857 5 40 HHBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cc(Cl)cc(Cl)c1 951406 SAOJXALEOTXACN-UHFFFAOYSA-N 408.197 3.526 5 40 HHBB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 20481126 VKSPHHIOYVBSJM-UHFFFAOYSA-N 404.231 3.525 5 40 HHBB COc1ccc(NC(=O)[C@H](C)Sc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 26482120 KXTIBZKBTZVIEX-QMMMGPOBSA-N 402.354 3.532 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCO[C@H](c2ccc(Cl)cc2)C1 40154693 OWCHBYNTAGFZKE-DJJJIMSYSA-N 419.865 3.657 5 40 HHBB CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] 78967980 YORVXQDJBGOWDH-GFCCVEGCSA-N 400.273 3.851 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1F)c1ccccc1 9356523 BLQKXZNGMHGHMD-UHFFFAOYSA-N 415.402 3.787 5 40 HHBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C)c1 224146395 HXHKAYZVVBOHRL-GOSISDBHSA-N 411.502 3.635 5 40 HHBB O=[N+]([O-])c1cc(Br)cc(I)c1Br 226320998 HAXPVZMCYJZOAH-UHFFFAOYSA-N 406.799 3.724 5 40 HHBB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 4585408 AIOAXHYSXQPBJT-UHFFFAOYSA-N 400.394 3.855 5 40 HHBB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12563145 PZUVBAUNCXXYBA-UHFFFAOYSA-N 424.432 3.670 5 40 HHBB Cc1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1C 12588502 SFUJEXDXNIEUMQ-UHFFFAOYSA-N 419.485 3.521 5 40 HHBB COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC 15262543 DQNDJQLUFJCAGV-MLPAPPSSSA-N 418.789 3.619 5 40 HHBB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 18103002 HIJKYGHQGCKLOO-AQTBWJFISA-N 410.389 3.787 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccccc1OC(F)(F)F 25240656 IUXIZXPGSAJEDV-UHFFFAOYSA-N 413.352 3.573 5 40 HHBB CC(C)CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 39754930 MOMGUDRGDATQNG-UHFFFAOYSA-N 409.402 3.882 5 40 HHBB CSCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1F 72312599 XRXCHJGMWQDWSI-SNVBAGLBSA-N 410.398 3.920 5 40 HHBB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O 222570102 FIBWINWCTQEXCC-YMRXKLBXSA-N 400.460 3.683 5 40 HHBB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 710928 IWTSDRPILMBFMH-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB Cc1ccc(S(=O)(=O)c2c(N)c3nc(Cl)cn3c3nc4ccccc4nc23)cc1 1273798 MOJVVIOTCJUING-UHFFFAOYSA-N 423.885 3.808 5 40 HHBB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 1885479 ALEGMJAWXUZWKK-FQEVSTJZSA-N 421.453 3.588 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1C 5061576 IPIJWRJYSPYACD-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB CCOc1ccc(Nc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])cc1OCC 9469070 OVUKSVRGPFPKGE-UHFFFAOYSA-N 423.491 3.823 5 40 HHBB CNC(=O)c1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 32988464 MUYYPGQQLHHWIY-UHFFFAOYSA-N 413.377 3.704 5 40 HHBB CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 95465836 RHJHTRLMFQBPTI-DJJJIMSYSA-N 414.849 3.940 5 40 HHBB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 409129168 RADVSNOCXZNACI-CQSZACIVSA-N 411.487 3.843 5 40 HHBB Cc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c2)cc1 1312811 HCIIOLSRPZINRQ-UHFFFAOYSA-N 423.175 3.614 5 40 HHBB COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(OC)c([N+](=O)[O-])c3C)n2)cc1 2466120 WBIAWPBVVNOTOH-UHFFFAOYSA-N 409.324 3.582 5 40 HHBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 3246939 KUUBUBVRMRLGHO-XCVCLJGOSA-N 405.204 3.552 5 40 HHBB COC(=O)c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 5960088 BKPKJRJDOQDQDN-YVLHZVERSA-N 412.423 3.926 5 40 HHBB CCOc1cc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)c([N+](=O)[O-])cc1OC 7568518 URPWPKHVDQTIAH-GFCCVEGCSA-N 413.386 3.970 5 40 HHBB O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccncc12 12557625 ZUNXBQSJAQADFE-UHFFFAOYSA-N 403.364 3.883 5 40 HHBB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17082388 APZHWJROEQXLST-UHFFFAOYSA-N 402.457 3.730 5 40 HHBB CCOc1cccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 17082390 VOBIXWHCMAWZNF-UHFFFAOYSA-N 402.457 3.730 5 40 HHBB COc1ccc(NC(=O)CCSc2nccc(C(F)(F)F)n2)c([N+](=O)[O-])c1 32903564 NJJGKHILKGOLEP-UHFFFAOYSA-N 402.354 3.533 5 40 HHBB O=C(Nc1cc([N+](=O)[O-])ccc1F)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102833331 LJJNKGFMSLLFBY-TYGXQLQZSA-N 419.844 3.913 5 40 HHBB Cc1nn([C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)cc1[N+](=O)[O-] 2731126 VYVKKQJQJGOQCR-CYBMUJFWSA-N 410.463 3.549 5 40 HHBB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 4149949 HAZDHYPHEHHPHT-UHFFFAOYSA-N 418.427 3.935 5 40 HHBB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 4704205 ATPIVTMBZPIHAG-KRWDZBQOSA-N 410.821 3.767 5 40 HHBB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2cc3cccnc3c3cccnc23)C1 6274479 NYXSRDCOVGOABL-QGZVFWFLSA-N 405.502 3.895 5 40 HHBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 7088445 OTKAEDMUSADOSP-SFHVURJKSA-N 405.863 3.808 5 40 HHBB Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2c(=O)n1-c1ccccc1Cl 8778784 FQYHQVYQTPVBBD-UHFFFAOYSA-N 413.846 3.832 5 40 HHBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 10010262 LCBOVWZFBWGCSR-UHFFFAOYSA-N 424.442 3.584 5 40 HHBB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 17088252 NQLOSWZTGAKQON-UHFFFAOYSA-N 409.471 3.652 5 40 HHBB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 59502189 JUFRZXZQTLKGSF-UHFFFAOYSA-N 415.405 3.804 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)c2ncccc12 97380117 SCSLZZZBYKSHFG-INIZCTEOSA-N 401.419 3.808 5 40 HHBB COc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1[N+](=O)[O-] 219827756 FSPXIAVPERHUIX-INIZCTEOSA-N 400.431 3.709 5 40 HHBB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 6115049 SQHHUWYDYPNDCK-VIFPVBQESA-N 411.365 3.776 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 15355317 CAVBVILLNOQQEH-UHFFFAOYSA-N 400.372 3.644 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2)o1 59200435 SLLYZGHUUUFEBV-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 95432191 LXGFHAVIXPCPNY-INIZCTEOSA-N 419.522 3.780 5 40 HHBB Cc1ccc(-c2nn3c([C@H]4[C@@H](C(=O)O)[C@H]5C=C[C@H]4C5)nc4ccccc4c3nc2=O)cc1 101018090 DWUYFBGGHLGZBM-FEHORTKBSA-N 424.460 3.603 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C1=O 103559567 UXPXACRHAUOCOU-HOCLYGCPSA-N 420.208 3.503 5 40 HHBB CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533832 YUYJIFFVACDEFZ-GOSISDBHSA-N 419.503 3.703 5 40 HHBB CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1cccc(Oc2ccccc2)c1 4105446 PSEUSXNUANPSCY-GOSISDBHSA-N 401.415 3.582 5 40 HHBB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 6615216 VRXLLYRCQSYANB-UHFFFAOYSA-N 411.395 3.680 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 9569540 WZFJEGFBFSYJFU-UHFFFAOYSA-N 423.903 3.893 5 40 HHBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc12 10010615 HTUXNLVSVYWNND-AATRIKPKSA-N 400.372 3.773 5 40 HHBB CCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 39749995 JLEASIBHXHEPDO-UHFFFAOYSA-N 413.415 3.934 5 40 HHBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 853584 CABZRIXVSLKXSJ-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB COc1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)n2C[C@H]2CCCO2)cc1 12643665 MURIXTREOUHCQV-MRXNPFEDSA-N 413.459 3.587 5 40 HHBB O=C(CSc1nnc(-c2cccs2)o1)N1CCCc2cc([N+](=O)[O-])ccc21 12768792 FQBKNEFBBDBRLB-UHFFFAOYSA-N 402.457 3.778 5 40 HHBB Cn1cnnc1Sc1ccc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)cc1[N+](=O)[O-] 84169071 YVUVQUMUPVVAJX-CYBMUJFWSA-N 417.413 3.581 5 40 HHBB O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 216414851 UFNWAFZVSPEDNC-UHFFFAOYSA-N 417.487 3.599 5 40 HHBB Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409411248 VFYSVXXOYSFVLM-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1ccccc1N1C(=O)c2ccc(C(=O)Oc3cccc([N+](=O)[O-])c3)cc2C1=O 3195149 BHTLJDVTYAJNOP-UHFFFAOYSA-N 402.362 3.923 5 40 HHBB CCOc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OCC 3334737 KSMCIKVUUQVZKW-UHFFFAOYSA-N 403.387 3.616 5 40 HHBB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)oc2c1 6304954 JKMWUPPXRTXUAM-XVNBXDOJSA-N 400.778 4.000 5 40 HHBB COc1cc(C(=S)N2CCCC2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-] 8206700 CKXHHMKBNYKICX-UHFFFAOYSA-N 416.455 3.603 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 10543786 PHAYVMSUFAUVQF-UHFFFAOYSA-N 416.430 3.791 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 44332380 AUJXJUUWNSDDIW-UHFFFAOYSA-N 414.368 3.808 5 40 HHBB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccccc1[N+](=O)[O-] 409011976 GWUOZWBVCJJQKC-UHFFFAOYSA-N 420.834 3.941 5 40 HHBB Cc1sc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc1[N+](=O)[O-] 613472411 PJCVWCYCNFGAJG-CYBMUJFWSA-N 421.544 3.569 5 40 HHBB Cc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)nn1Cc1ccc(Cl)cc1 2755775 MGCRJUGYMBVYLI-UHFFFAOYSA-N 423.260 3.598 5 40 HHBB CCCOc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 6629687 UFEJENACFZBFBI-UHFFFAOYSA-N 403.866 3.999 5 40 HHBB COC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 97165911 IVBFIRCADCHBHY-UHFFFAOYSA-N 408.360 3.998 5 40 HHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1 5853523 CEAPOXFWCQMRME-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB COc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc(Cl)c1OC(C)C 8146359 GUFIJPPFHLEAOJ-UHFFFAOYSA-N 407.854 3.886 5 40 HHBB Cc1c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] 12973429 FPCFBVYKOBHQIO-LJQANCHMSA-N 411.458 3.840 5 40 HHBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 29186829 IMKNOHFWTWEPOZ-CYBMUJFWSA-N 414.892 3.772 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 1327420 GKGCYMQEYXOZKO-UHFFFAOYSA-N 403.485 3.773 5 40 HHBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1 1512727 RKHULYNMYFJETC-CAZKKTPXSA-N 414.392 3.611 5 40 HHBB Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2ccccn2)c(=O)c2ccccc21 2330835 SCGBKIBSQVCYPV-UHFFFAOYSA-N 400.394 3.761 5 40 HHBB CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 3196378 ZFXXVANNWQDEFE-UHFFFAOYSA-N 414.373 3.829 5 40 HHBB COc1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C)cc1[N+](=O)[O-] 7814235 ZRXMHHSRTFHAKS-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 9715226 WKRAEAUMKBUGHZ-UHFFFAOYSA-N 421.656 3.820 5 40 HHBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2F)CC1 57024329 BCPKDNHGDSTMGR-ZDUSSCGKSA-N 406.845 3.537 5 40 HHBB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 58210913 AVGMGPBADXNTJP-UHFFFAOYSA-N 401.398 3.552 5 40 HHBB COc1cc(OCC(=O)NCCSCc2ccccc2Cl)ccc1[N+](=O)[O-] 219820999 GNRPWBFXKLKWKF-UHFFFAOYSA-N 410.879 3.685 5 40 HHBB O=C(OCC(=O)N(C1=CCCCC1)C1CC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 7047193 ILXLGRSBDPZDAZ-UHFFFAOYSA-N 413.474 3.801 5 40 HHBB Cc1ccccc1OCc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=S)o1 8571619 ZXUWZCTUAQRXDM-UHFFFAOYSA-N 400.416 3.640 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 12604765 RQYRQGLWAPENLA-UHFFFAOYSA-N 418.500 3.914 5 40 HHBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1cccnc1 13213591 WNUSZMIYQGDFOD-HXUWFJFHSA-N 413.389 3.842 5 40 HHBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1S[C@H]1CCc2ccccc2C1=O 4130628 BLPFNHNHAVXYRF-KRWDZBQOSA-N 410.455 3.592 5 40 HHBB COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1 23606383 WORNIEVLAQOQNA-UHFFFAOYSA-N 415.427 3.616 5 40 HHBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225721213 ZTWQQMUCTYWQEE-FQEVSTJZSA-N 411.502 3.778 5 40 HHBB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270735 RRELSLKAZVUZSP-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB COC[C@@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12550389 AFBDSHDREGUSBY-PXAZEXFGSA-N 422.279 3.662 5 40 HHBB CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nn12 57316964 WDTSINGNRBQCNY-MDZDMXLPSA-N 420.454 3.975 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)cc1[N+](=O)[O-] 604483822 LXFHAKPERHRTQU-INIZCTEOSA-N 415.515 3.508 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ncnc2ccc(Br)cc12 9592474 KDCSELQGKUDJDL-UHFFFAOYSA-N 417.219 3.626 5 40 HHBB C[C@@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 10643264 HDFWGDUWJADCHV-GFCCVEGCSA-N 421.475 3.573 5 40 HHBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1cccnc1 11614643 LEBYZMUOSKNSBH-NRFANRHFSA-N 413.477 3.838 5 40 HHBB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13012999 FEDBUHGOWRSJLA-UHFFFAOYSA-N 413.455 3.695 5 40 HHBB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 408564130 YCZLKXZTZDFZCR-UHFFFAOYSA-N 406.464 3.578 5 40 HHBB O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 823765 AVEAUEWVRJVQMF-UHFFFAOYSA-N 404.378 3.887 5 40 HHBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(SCCO)c([N+](=O)[O-])c1 3446589 SJXHQBVFRWSVJQ-UHFFFAOYSA-N 407.517 3.665 5 40 HHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 13570155 HCHWILCJGURFCY-UHFFFAOYSA-N 424.398 3.610 5 40 HHBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 15357140 LYWWNMYPMMYEHO-OZVIIMIRSA-N 401.492 3.780 5 40 HHBB O=C(Nc1ccc(I)cc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990984 UIPHRPTWLKEFHO-UHFFFAOYSA-N 408.195 3.870 5 40 HHBB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc([N+](=O)[O-])cc1 862087 UMOUYVNKHIJUNN-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3cccc([N+](=O)[O-])c3)nc21 2338679 FEYOWHJZWDDRHO-UHFFFAOYSA-N 424.416 3.813 5 40 HHBB CN(C)CCSc1nnc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 3363392 AKOMMSUQHOBDLU-UHFFFAOYSA-N 405.505 3.972 5 40 HHBB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 9111555 ULCMPMYCEZEQRT-UHFFFAOYSA-N 411.848 3.514 5 40 HHBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 16637590 QRYTVCCBMAUKIH-UHFFFAOYSA-N 400.460 3.850 5 40 HHBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])S2)cc1 408774134 ADJRBPRZHODGQU-JZVSFUAJSA-N 415.471 3.774 5 40 HHBB O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 4120680 RDAMNPJIGHNSQW-UHFFFAOYSA-N 410.249 3.696 5 40 HHBB CCOc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 5181819 CRRSHWAVLRZXPW-UHFFFAOYSA-N 412.471 3.566 5 40 HHBB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC 12559096 PMTJAEANGYPFQN-ZDUSSCGKSA-N 410.430 3.508 5 40 HHBB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 13842818 XNYMOXMIYDKVID-UHFFFAOYSA-N 405.410 3.786 5 40 HHBB COc1ccc(-c2cc(C(=O)O)c3c(-c4ccc([N+](=O)[O-])cc4)[nH]nc3n2)c(OC)c1 20492066 VXPZGOXDXRIFCL-UHFFFAOYSA-N 420.381 3.916 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605079 SZSMEFSTGNCMMR-UHFFFAOYSA-N 408.483 3.676 5 40 HHBB O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCCc2cc(C(F)(F)F)ccc21 32796645 LQWZVZAJTOBTKF-UHFFFAOYSA-N 417.347 3.787 5 40 HHBB O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 837150 QXOOIMFNFTWLDI-UHFFFAOYSA-N 418.405 3.816 5 40 HHBB CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)c1C 1946499 HIPWCVAWMRWHPC-UHFFFAOYSA-N 406.416 3.570 5 40 HHBB CC(C)N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 4301686 NOMVSDQTOAIXOV-SQNIBIBYSA-N 415.833 3.503 5 40 HHBB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 224789237 LNPGZHRRMVSYRF-UHFFFAOYSA-N 406.460 3.604 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(c1nncs1)C3=O 1889706 KSQVSEWLFCYZJW-INIZCTEOSA-N 420.406 3.611 5 40 HHBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccccc1 4463573 XXXVUIMIIDCHLC-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605862 MHAKDCZLQIXORX-UHFFFAOYSA-N 408.483 3.676 5 40 HHBB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 408603654 GPFAVWZZJOYXGF-GOSISDBHSA-N 414.487 3.516 5 40 HHBB CN(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 990047 MYAZXBAXIURFDE-UHFFFAOYSA-N 402.414 3.647 5 40 HHBB Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 5549153 ZCOPGHPDWGMNPY-LQDNNDEMSA-N 410.429 3.780 5 40 HHBB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 7257801 NISBNAAZMWOVIR-UHFFFAOYSA-N 419.485 3.961 5 40 HHBB COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])cc1OC 12613685 SVGSNHPXAPFKGA-UHFFFAOYSA-N 413.455 3.974 5 40 HHBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 17089887 QJLJAYVRSRLZCY-UHFFFAOYSA-N 414.487 3.721 5 40 HHBB O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 23055241 USWFIQUWBUUBGV-UHFFFAOYSA-N 424.501 3.643 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)N1CCCCCC1 408584925 WQOKGNIRZMSJFF-UHFFFAOYSA-N 418.475 3.804 5 40 HHBB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1[N+](=O)[O-] 408648495 YKZKZIKWPVWREG-GFCCVEGCSA-N 407.348 3.914 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 408701833 GTWUSBZVCJKZKI-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB O=C(O)c1cc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)ccc1Cl 409346708 NQBPEKUYGKOUHT-UTCJRWHESA-N 403.734 3.578 5 40 HHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(C)=O)cc3c3ccnc2c31 6624378 LDDJMFXNVSJXTN-UHFFFAOYSA-N 402.406 3.577 5 40 HHBB biogenic O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7537626 PRFHWBZOWGZYTB-UHFFFAOYSA-N 402.834 3.844 5 40 HHBB COc1ccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)nn1 9715013 OQJBICCPBNLADR-UHFFFAOYSA-N 420.834 3.515 5 40 HHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 13548611 ZVZFIAVHRHYPOR-ODLFYWEKSA-N 419.418 3.634 5 40 HHBB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 25623488 QSHCZLFCOSLKMR-FQEVSTJZSA-N 413.437 3.889 5 40 HHBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(F)cc2)NC(=S)N1C 21186881 ZYDRPNWPGVPQKE-QGZVFWFLSA-N 400.435 3.508 5 40 HHBB CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 223590518 XVSOWAKYTYBMOE-UHFFFAOYSA-N 416.459 3.589 5 40 HHBB COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(OC)c([N+](=O)[O-])c3C)n2)c1 4881457 VGNPNVKMYMACAQ-UHFFFAOYSA-N 409.324 3.582 5 40 HHBB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7367861 HPKSMIOXBVFMTL-UHFFFAOYSA-N 412.446 3.820 5 40 HHBB Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 48236668 MCVSRUQNNMKKOV-UHFFFAOYSA-N 407.430 3.670 5 40 HHBB Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2F)cc1[N+](=O)[O-] 57014553 JHRAWYARCMEOOZ-UHFFFAOYSA-N 403.229 3.630 5 40 HHBB CC[C@@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc([N+](=O)[O-])cn1 2731591 NEFMBBBCGPXWIL-HNNXBMFYSA-N 410.463 3.631 5 40 HHBB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc([N+](=O)[O-])cc1Cl 6079337 GOKVDPILLJCGQN-UHFFFAOYSA-N 400.721 3.645 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 12917133 GAKWUEOIRZDKSZ-IBGZPJMESA-N 400.481 3.993 5 40 HHBB CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC)C1c1cccc([N+](=O)[O-])c1 96031817 CFFRNSYMIJOXTR-UHFFFAOYSA-N 402.447 3.736 5 40 HHBB in-vitro Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)c1C 6558055 QQMDAFLVYJQBGG-ZRDIBKRKSA-N 405.410 3.955 5 40 HHBB Cc1ccc(NC(=O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(Br)c1 32911830 PZGSQUVUPYZLHW-UHFFFAOYSA-N 416.235 3.563 5 40 HHBB C[C@@H](OC(=O)/C=C/c1c(Cl)nc2sccn12)C(=O)Nc1ccccc1[N+](=O)[O-] 39608110 NVOOEPOKWZPWRN-VQCYPWCPSA-N 420.834 3.541 5 40 HHBB O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccc2ccccc2c1 1445434 DWXUZHCVOWJVQO-UHFFFAOYSA-N 404.378 3.730 5 40 HHBB COc1cc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)cc1[N+](=O)[O-] 9137348 OOHPGMXSNKUWAS-UHFFFAOYSA-N 414.748 3.639 5 40 HHBB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 18194672 CTTQKZQSFQQCNQ-UHFFFAOYSA-N 412.423 3.635 5 40 HHBB Cc1cc(I)cnc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 32125122 DJJOQAVGHRVBJB-UHFFFAOYSA-N 417.590 3.809 5 40 HHBB O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccc(I)cc1 102925310 XVJLECDYHHEYEE-GHRIWEEISA-N 408.151 3.884 5 40 HHBB O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])cc1 13748529 NTPKBJQYPBERJW-LTGZKZEYSA-N 417.469 3.644 5 40 HHBB CN(Cc1nc2ccccc2n1C(F)F)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 29543069 LAKRJRYBRYXQTR-UHFFFAOYSA-N 413.388 3.688 5 40 HHBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317298 PLWXEEGKTMLAHE-UHFFFAOYSA-N 417.746 3.767 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222632897 COMHQXSQJPQNIZ-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB Cc1ccc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2C=CS(=O)(=O)C2)cc1 1265408 RLDBONLDCYFWRQ-OAHLLOKOSA-N 406.847 3.514 5 40 HHBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)o1 16194243 NVBFATQIGITFJJ-VGOFMYFVSA-N 422.802 3.864 5 40 HHBB O=C(NCc1cccnc1OC1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 40089463 ZKRHTOFDGABIBY-UHFFFAOYSA-N 424.501 3.844 5 40 HHBB O=C(NCc1cccc(Br)c1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 72329392 GCQZKKWMBYSNIW-UHFFFAOYSA-N 401.220 3.677 5 40 HHBB COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408576133 XJSJSVXDFPZFNV-GOSISDBHSA-N 412.471 3.781 5 40 HHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)o1 408632793 SRXODXUZIGWJRG-NVNXTCNLSA-N 403.372 3.773 5 40 HHBB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 5549161 ZCOPGHPDWGMNPY-ZKKFKWFVSA-N 410.429 3.780 5 40 HHBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3n2)cc1 8989927 UYSFRLVRACTXSD-UHFFFAOYSA-N 418.369 3.798 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 10187868 IASMFFMRZJBHIS-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 10475576 YUBYOWBMJHQGBD-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB O=C(Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)c1cccs1)c1cccs1 16430558 JMGWGQWXRYGDRZ-UHFFFAOYSA-N 417.468 3.609 5 40 HHBB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] 32373681 LNCRQHHLPZPEAX-SFHVURJKSA-N 424.284 3.705 5 40 HHBB NS(=O)(=O)c1ccc(Sc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])c1 32509768 MPQFLIJWKHDSBN-UHFFFAOYSA-N 401.878 3.657 5 40 HHBB COc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1[N+](=O)[O-] 219827700 FSPXIAVPERHUIX-MRXNPFEDSA-N 400.431 3.709 5 40 HHBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224779237 RWLVHEBXVYFXMS-OAHLLOKOSA-N 417.893 3.734 5 40 HHBB CCOc1cc(CO)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409118456 QHDULPYZKYLEOK-UHFFFAOYSA-N 413.180 3.949 5 40 HHBB COc1ccccc1OC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 409172924 JKQKQILOWMPDDR-UHFFFAOYSA-N 413.407 3.655 5 40 HHBB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 7853371 DGAUQZZEGGGSSU-LBPRGKRZSA-N 404.444 3.818 5 40 HHBB Cc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1[N+](=O)[O-] 71980494 HULDBQWASSJBJL-LBKMDBTOSA-N 404.463 3.761 5 40 HHBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225721243 ZTWQQMUCTYWQEE-HXUWFJFHSA-N 411.502 3.778 5 40 HHBB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1[N+](=O)[O-] 409221426 QBZWMOZHDVDCGG-LZYBPNLTSA-N 415.402 3.717 5 40 HHBB COc1ccc(-c2nsc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4167539 STJAPQDTQYDUBS-UHFFFAOYSA-N 402.457 3.853 5 40 HHBB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)C[C@H](C)O1 12757000 ZUTFJRICSCPRHT-QWRGUYRKSA-N 410.883 3.566 5 40 HHBB CCOc1ccc(-c2nc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cs2)cc1 25393814 OLVOWUVSWARJAE-UHFFFAOYSA-N 409.423 3.913 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225460958 LIQXFFGTSUMQTF-YLJYHZDGSA-N 411.502 3.859 5 40 HHBB COc1ccc([C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N2CCCC2)cc1 3444760 NLKZUEONFBXNSD-LJQANCHMSA-N 415.515 3.892 5 40 HHBB O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4603133 BUQLVBDCPNDKCF-UHFFFAOYSA-N 405.366 3.798 5 40 HHBB COc1ccc(OC)c(Nc2nc(Nc3cccc(F)c3)nc(N)c2[N+](=O)[O-])c1 9349906 HMOUNDXEOMLTLB-UHFFFAOYSA-N 400.370 3.611 5 40 HHBB CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] 9668748 BZINWTJRRAFSAG-UHFFFAOYSA-N 419.437 3.885 5 40 HHBB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Cl)c1 20410884 MCLADARJOFEQTL-UHFFFAOYSA-N 419.865 3.719 5 40 HHBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 36390923 YPEZZTROHJUTFJ-UHFFFAOYSA-N 414.270 3.561 5 40 HHBB O=C(OC/C(=C/Cl)OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1749528 MWAHPPQBLQTKSF-DHDCSXOGSA-N 406.734 3.597 5 40 HHBB Cc1cc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1Cc1cccs1 2661947 RMVHKTZAIDYHHW-UHFFFAOYSA-N 423.450 3.602 5 40 HHBB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 4176216 QUESJGWQMOKOFT-UHFFFAOYSA-N 410.455 3.717 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 16742218 TWSBJQNQTRYYCJ-FQEVSTJZSA-N 424.478 3.578 5 40 HHBB O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 19228854 HTFNBXPQEUDLAV-OAHLLOKOSA-N 402.665 3.811 5 40 HHBB COc1ccc(OC)c(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)c1 2468372 SDFHVWQKGHERDC-UHFFFAOYSA-N 414.443 3.529 5 40 HHBB COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c13)O[C@@H]1OC=C[C@@H]21 13374568 MLCZRFXGJOUFHE-YTEVENLXSA-N 410.422 3.710 5 40 HHBB biogenic,in-vitro CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 17089897 VYQNEIXWZMLMBZ-UHFFFAOYSA-N 414.487 3.590 5 40 HHBB CCc1c(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cnn1-c1ccc([N+](=O)[O-])cc1 27842746 CFYRXJSCNXPYKO-KRWDZBQOSA-N 419.485 3.599 5 40 HHBB COc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])c1 32895834 RRFWIMXMIXOIRM-UHFFFAOYSA-N 415.471 3.653 5 40 HHBB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225086461 QCOZZWIKJXYOEY-UHFFFAOYSA-N 420.487 3.587 5 40 HHBB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c([N+](=O)[O-])cc1OC 260778221 RKDFNWFYSMGGEV-HWOJHCLVSA-N 400.460 3.596 5 40 HHBB C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 5889237 KYYVIHZNPQNCAS-ABROSTTOSA-N 406.866 3.879 5 40 HHBB Cc1cccc([N+](=O)[O-])c1C(=O)OCc1nc2ccccc2c(=O)n1Cc1ccco1 11659025 FXRPTLWGBGJVJX-UHFFFAOYSA-N 419.393 3.611 5 40 HHBB CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 12554104 OAWBIJKIIQMAJN-NWDGAFQWSA-N 409.430 3.815 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 408642401 OOAHDWQNUQMBDI-NSHDSACASA-N 423.347 3.614 5 40 HHBB COC(=O)CC[C@]1([N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 72390493 FNRBYCFAKIUMOT-YLJYHZDGSA-N 410.442 3.866 5 40 HHBB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 223117594 YZAZZVNOIHFXSQ-UHFFFAOYSA-N 416.459 3.574 5 40 HHBB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 12971696 BZLCVDWYNYRMGP-SFHVURJKSA-N 411.458 3.840 5 40 HHBB CCCCOC(=O)CNC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] 1712151 OBDOLTNBRJIVBR-UHFFFAOYSA-N 400.431 3.555 5 40 HHBB CCOC(=O)c1c(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCC2 4593770 YXOASZWAGGPMFV-UHFFFAOYSA-N 420.491 3.554 5 40 HHBB COc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5688368 HJBKQLMTSSSHJY-AWEZNQCLSA-N 405.476 3.561 5 40 HHBB CCOC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 9062459 AXXBUVFMGBFUJN-UHFFFAOYSA-N 413.415 3.934 5 40 HHBB CC1CCN(Cc2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3n2C)CC1 20893171 HCNNEZQEQPFMAC-UHFFFAOYSA-N 407.474 3.966 5 40 HHBB COc1cc([C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 40111817 BYNXYBAVKMIWKD-OLZOCXBDSA-N 420.487 3.979 5 40 HHBB CN(c1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1)S(C)(=O)=O 222499173 FZPZPTGQMMFSIU-UHFFFAOYSA-N 418.258 3.550 5 40 HHBB O=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 836550 WOGVRNFBNKBAGW-UHFFFAOYSA-N 418.405 3.816 5 40 HHBB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 5293613 QUXOLHKVMZJECF-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB Cc1c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cccc1[N+](=O)[O-] 12797483 CVMVMTUOTNPIAD-UHFFFAOYSA-N 412.471 3.651 5 40 HHBB CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 31304565 GVFAGNBQNJJYFP-DOTOQJQBSA-N 408.930 3.550 5 40 HHBB Cc1c(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 40116929 YEVJPVIOGGICCY-UHFFFAOYSA-N 401.422 3.899 5 40 HHBB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cccc([N+](=O)[O-])c1 72235807 AVDNWKSBKFNSHO-UHFFFAOYSA-N 414.731 3.631 5 40 HHBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 225238870 QUHVMOBCUMXERC-UHFFFAOYSA-N 416.485 3.744 5 40 HHBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OC)cc1 408567788 HJTQIGNAHBCXRE-GOSISDBHSA-N 400.460 3.703 5 40 HHBB O=C(CN1C(=O)CS/C1=C\c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3268282 GYJLVEXRJPLIFC-OCKHKDLRSA-N 411.464 3.961 5 40 HHBB COc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)c(OC)c1 5345197 JWXGUCZCYCRRDU-UHFFFAOYSA-N 405.406 3.981 5 40 HHBB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1 8277479 FFCDKVHIUMGYAM-UHFFFAOYSA-N 403.454 3.785 5 40 HHBB COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 35224833 BCLYSJPSTIPZIN-UHFFFAOYSA-N 422.890 3.844 5 40 HHBB O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc([N+](=O)[O-])ccc1NCCO 40034689 WBAALNNTELKAKT-UHFFFAOYSA-N 417.805 3.664 5 40 HHBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccccc1F 106696481 AGVLMNXPZUBAMR-SOFYXZRVSA-N 402.359 3.699 5 40 HHBB COc1cc(N[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 83920154 LXPAKROAXNCAJQ-ZDUSSCGKSA-N 419.865 3.982 5 40 HHBB CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220388842 YEAIADITWVHDJO-HNNXBMFYSA-N 419.503 3.567 5 40 HHBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 409363018 STQZPYVDSGKNEI-LICLKQGHSA-N 411.439 3.887 5 40 HHBB COc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 7109091 ZYYJJURHVXEVKC-UHFFFAOYSA-N 413.213 3.635 5 40 HHBB CSc1ccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 9128466 LOHQAKNXGWPLAC-UHFFFAOYSA-N 416.371 3.632 5 40 HHBB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n(C(C)C)c3nc12 100630657 XSKBONZWILGVIQ-INIZCTEOSA-N 415.497 3.509 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1 224527468 IJGMHDWNLVDKQJ-UHFFFAOYSA-N 415.402 3.787 5 40 HHBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225097182 IOSAZNLXAWGWSQ-ZWKOTPCHSA-N 411.502 3.778 5 40 HHBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 408565618 COHUFWPNIVEXQC-MRXNPFEDSA-N 403.395 3.733 5 40 HHBB COc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)OCO2 409070357 YSKYSDCGPZMBFL-REZTVBANSA-N 414.395 3.569 5 40 HHBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 7388290 XSYXWFIIEHFVCD-UHFFFAOYSA-N 410.474 3.542 5 40 HHBB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 12738764 GEXWMDVDBCPCEM-UHFFFAOYSA-N 423.513 3.813 5 40 HHBB Cc1cc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C 17089906 GLHVYOSXRHNYNL-UHFFFAOYSA-N 414.487 3.644 5 40 HHBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OC 19358147 HGTZDALKTCRDQY-UHFFFAOYSA-N 410.810 3.925 5 40 HHBB CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl 20410773 NEWZTKAAYOAPTH-UHFFFAOYSA-N 405.838 3.736 5 40 HHBB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220411854 DDAOIEDOOHSBDW-HNNXBMFYSA-N 419.503 3.820 5 40 HHBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C 224114311 GSISTEQIKYTDIW-GOSISDBHSA-N 411.502 3.635 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)C(=O)[C@H]2C1 408679933 HJZQFVBXYPMWSB-IRXDYDNUSA-N 423.400 3.832 5 40 HHBB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4840100 VHNMJUKZCKCXHZ-HZPDHXFCSA-N 403.479 3.531 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2c(F)cccc2Cl)c1=O 10187766 COYIGZHPKSCKQO-UHFFFAOYSA-N 419.771 3.989 5 40 HHBB CCOc1cc(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)c([N+](=O)[O-])cc1OC 12759803 ALRMCCNHPMOLKH-IBGZPJMESA-N 415.490 3.597 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 13370264 AOWVWHNMVQTOPR-SFQUDFHCSA-N 422.353 3.506 5 40 HHBB O=C(O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(I)cc3)oc12 73641737 UZNADDVEHZDFDT-UHFFFAOYSA-N 410.123 3.706 5 40 HHBB COc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1 1022683 QRYVRBNIBSCFEC-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 4546614 APGSSZCGPJKIEI-OAQYLSRUSA-N 404.422 3.679 5 40 HHBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(=O)n3ccsc3n2)cc1 6537450 VWEOUPLDJLXBKM-UHFFFAOYSA-N 409.423 3.919 5 40 HHBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCCC1 8752762 XMQCCDWKOYVSOD-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB Cc1ccc2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])ccc4=O)cc3)sc2c1 9585558 YMTTXTCIDGRHTA-UHFFFAOYSA-N 420.450 3.980 5 40 HHBB CCCCCCn1ccc2nc3ccn(-c4nc(SCC)n[nH]4)c(=O)c3cc2c1=O 40398904 DDCLWXZOFHKODJ-UHFFFAOYSA-N 424.530 3.511 5 40 HHBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 225245646 JYXSJWAQPROARH-UHFFFAOYSA-N 416.485 3.744 5 40 HHBB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 4715815 OIFGDCZYGQDBGD-UHFFFAOYSA-N 411.487 3.836 5 40 HHBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC1CCCCCCC1 5659659 RJBGPROYVSCYLP-UHFFFAOYSA-N 417.506 3.971 5 40 HHBB Cc1cc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c([N+](=O)[O-])cc1C 9613151 CXTSHBAGQGEVFF-UHFFFAOYSA-N 420.351 3.523 5 40 HHBB NC(=O)c1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Cl 12522434 ITZKSMOUKHSGNU-UHFFFAOYSA-N 405.841 3.546 5 40 HHBB COc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1[N+](=O)[O-] 225168583 BKZTXDWYPNRPJE-UHFFFAOYSA-N 417.443 3.578 5 40 HHBB CC(=O)N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)c(Cl)c1 820901 HPITZBZNMSVPNL-UHFFFAOYSA-N 408.197 3.508 5 40 HHBB Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])o3)c2)c1 5842007 HKGDNZKAFPQEFR-UHFFFAOYSA-N 415.427 3.858 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(OC)c1 21595552 TYKMMBVQIMPKKM-UHFFFAOYSA-N 409.851 3.701 5 40 HHBB Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)n1 102905465 YCYHAZQQUTXLSK-LGMDPLHJSA-N 400.394 3.938 5 40 HHBB Cc1ccc(OCc2nn(CC(=O)Nc3ccccc3[N+](=O)[O-])c(=S)o2)cc1 409163133 MFTNPYQUZMWZEC-UHFFFAOYSA-N 400.416 3.640 5 40 HHBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(OCC(F)(F)F)c1 2762770 AKAIRICJONLOSO-UHFFFAOYSA-N 410.757 3.990 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574184 BTJIXNWUTPSUPK-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OC(F)F 12939539 ZPEABZPWZGSAOF-UHFFFAOYSA-N 421.356 3.584 5 40 HHBB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)c12 25064094 PIEAEZHFKYBMEM-UHFFFAOYSA-N 403.398 3.648 5 40 HHBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 408718254 PPRONPXMYGWADN-UHFFFAOYSA-N 405.779 3.927 5 40 HHBB O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2c3c(ccc4ccccc34)OC[C@@H]2CO)cc1 4052944 RWLPDQABUIAHIV-XOBRGWDASA-N 409.467 3.777 5 40 HHBB CN(C)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 4180592 ZFWBAWGYZQTMPR-UHFFFAOYSA-N 406.354 3.523 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1Br 8433633 SBRKHGYUIBPUBY-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB COc1ccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c([N+](=O)[O-])c1 8878825 YAHKSJIDAYACCX-UHFFFAOYSA-N 418.361 3.623 5 40 HHBB CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 16197015 AYLOYUYTZBNWSP-GOSISDBHSA-N 400.456 3.837 5 40 HHBB Cc1cccc(C)c1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 108028589 XRDYZBDPXOCUAL-UHFFFAOYSA-N 412.471 3.894 5 40 HHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc([N+](=O)[O-])cc1 712393 WMMGUUXJPBEGEQ-QGZVFWFLSA-N 418.405 3.527 5 40 HHBB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C1=O 4405086 FCNQBNSWTMGBEQ-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB Cc1cc(=O)c(C(=O)OCc2cccc3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 6084358 UXFFFVRLNMRMJN-UHFFFAOYSA-N 415.405 3.959 5 40 HHBB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 6999527 XNCCVHFDQOSQTG-UHFFFAOYSA-N 409.185 3.969 5 40 HHBB O=C(c1ccccc1)c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 7061371 VKSQXBATMIODGO-UHFFFAOYSA-N 403.423 3.953 5 40 HHBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])c2c(nc(=S)[nH]c2O)N1 28294205 LDAHILFDOQGGBY-CYBMUJFWSA-N 402.432 3.536 5 40 HHBB Cc1cc(F)cc(C(=O)Nc2ccc(I)cc2)c1[N+](=O)[O-] 79054590 HYYUYPQKTKGHQN-UHFFFAOYSA-N 400.147 3.899 5 40 HHBB COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)c(Br)c3)oc12 226236985 PSIDNWILXPPXKK-UHFFFAOYSA-N 407.176 3.961 5 40 HHBB COc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 409184356 WJNHBLLOPXXAPD-UHFFFAOYSA-N 412.423 3.689 5 40 HHBB C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C 11226008 GQTKAGBMKMCPRQ-KGLIPLIRSA-N 409.442 3.692 5 40 HHBB O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 15882010 VRTFJHAEWBMIFL-OAHLLOKOSA-N 422.509 3.663 5 40 HHBB Cc1cc(F)c2c(c1)CCCN2C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 108301832 UQBODDSUFWAARI-AWEZNQCLSA-N 415.396 3.514 5 40 HHBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2731568 SFCMBOSRFXGECY-CYBMUJFWSA-N 424.490 3.743 5 40 HHBB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 4129687 VGRYBZAHSFECLB-LLVKDONJSA-N 400.416 3.773 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(O)cc1 4976626 BAAQDXXMTDREET-UHFFFAOYSA-N 413.459 3.618 5 40 HHBB COc1ccc(OC)c(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 6581195 MJVMXWMGSLJEDO-UHFFFAOYSA-N 421.475 3.530 5 40 HHBB CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 7910030 GEWOWAQPRABQPX-UHFFFAOYSA-N 424.501 3.920 5 40 HHBB COc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC 39539657 LGIBDFJOSMAOOF-UHFFFAOYSA-N 407.329 3.714 5 40 HHBB CCN(CC)C(=S)SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 4284191 SFVQCEWSYIMRHO-UHFFFAOYSA-N 406.327 3.656 5 40 HHBB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 5506090 XBXATHBOHNOJRP-UHFFFAOYSA-N 405.140 3.975 5 40 HHBB O=[N+]([O-])c1ccccc1N1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 12643855 MIRPTRHBRIZMID-UHFFFAOYSA-N 412.453 3.927 5 40 HHBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)C2CCCC2)cc1 40074358 XCUAYWXWICNHLF-NTEUORMPSA-N 400.456 3.963 5 40 HHBB COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1 409368868 QJXRRPOQVKCTRW-PEYKTXOXSA-N 416.433 3.999 5 40 HHBB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-] 3361948 LJGSRCBRWQFPSV-UHFFFAOYSA-N 418.405 3.930 5 40 HHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Br)cc1 3514232 HJESKULCVITBIK-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB Cc1cc(C)c2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 4901534 HZCRFLCCHKEXSU-UHFFFAOYSA-N 412.471 3.910 5 40 HHBB Cc1c(C(=O)NCCCOC(C)C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 4931084 COPXZSFUTAIKFS-UHFFFAOYSA-N 402.476 3.824 5 40 HHBB C[C@@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6995418 YFTHUAZRKLSVEE-SNVBAGLBSA-N 413.213 3.851 5 40 HHBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 9373089 YDEQIEFKQMVCFR-MRXNPFEDSA-N 420.347 3.880 5 40 HHBB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 9402885 AWIGLOAJIXVDNX-MRXNPFEDSA-N 420.347 3.880 5 40 HHBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 222998810 YXKBTVHILGHPQV-SFHVURJKSA-N 411.502 3.779 5 40 HHBB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 409183521 UXRIDYIDYLWPLN-UHFFFAOYSA-N 420.805 3.645 5 40 HHBB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc([N+](=O)[O-])c(C)c1 3446960 DVONISIPBBNIKT-UHFFFAOYSA-N 409.364 3.811 5 40 HHBB CC(C)Oc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2[N+](=O)[O-])C1=O 4369556 XHIGXRGCISMGDY-UHFFFAOYSA-N 401.806 3.818 5 40 HHBB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 4977117 JOZXQFQAQOTXOP-LBPRGKRZSA-N 413.459 3.518 5 40 HHBB CCOC(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 8040538 SMAWUNAIOPCVAT-UHFFFAOYSA-N 415.471 3.660 5 40 HHBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc([N+](=O)[O-])c1 40140771 XDVVSNFEGQLSCE-UHFFFAOYSA-N 401.366 3.776 5 40 HHBB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 138960815 BRWREMYGETYNIM-LRGYGIHKSA-N 422.437 3.622 5 40 HHBB CC[C@H](C)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 635591 UHUILKIIRLLYKW-MAUKXSAKSA-N 424.453 3.887 5 40 HHBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccncc3)n2Cc2ccco2)c([N+](=O)[O-])c1 1837700 IXDFNIONGZZWHN-UHFFFAOYSA-N 424.398 3.949 5 40 HHBB Cc1nn(CCNC(=O)c2ccc(COc3ccccc3Cl)o2)c(C)c1[N+](=O)[O-] 2796491 JZSRALIAEWULDY-UHFFFAOYSA-N 418.837 3.664 5 40 HHBB COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1OC 4735845 FYWGTCVIFCANIF-UHFFFAOYSA-N 401.400 3.637 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7928131 NDAPWKGVDWTPCY-GFCCVEGCSA-N 403.822 3.557 5 40 HHBB COc1cccc2sc(N3CCN(C(=O)/C=C\c4ccc([N+](=O)[O-])cc4)CC3)nc12 15391699 DAABDPIOGSDEEP-YFHOEESVSA-N 424.482 3.575 5 40 HHBB CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531713 JETHINWILVWZGR-GOSISDBHSA-N 419.503 3.703 5 40 HHBB O=C(NCc1ccccc1)/C(=C/c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 3056168 SMZBGMJCXCHJBW-STZFKDTASA-N 419.412 3.821 5 40 HHBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 4928819 ZMGKLTZYUDXTAL-LJQANCHMSA-N 406.398 3.553 5 40 HHBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cn1c(S)nnc1-c1cccs1 10902632 SDVCRMJFWWGSOY-UHFFFAOYSA-N 423.907 3.516 5 40 HHBB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1ccc(F)cc1[N+](=O)[O-] 13129498 BHAABDUAVCCXLE-UHFFFAOYSA-N 422.583 3.885 5 40 HHBB Cc1nn(-c2ccccc2)c(C)c1COC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21 40141408 CVAIABQFSFYDDO-UHFFFAOYSA-N 419.441 3.881 5 40 HHBB CCc1nc(S/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)O)n[nH]1 213400786 VKMXYZWJYDPZEC-ZSOIEALJSA-N 404.379 3.892 5 40 HHBB Cc1cc(Sc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])nc2ccccc12 6330661 ZPEIKEWJQWHMIE-UHFFFAOYSA-N 403.485 3.853 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7928132 NDAPWKGVDWTPCY-LBPRGKRZSA-N 403.822 3.557 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1ccccc1 13006571 GKOPWPSUUWULTA-LJQANCHMSA-N 400.481 3.993 5 40 HHBB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 15614439 PZNDTZXWDQOVAR-UHFFFAOYSA-N 422.485 3.642 5 40 HHBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCC2)cc1 223808167 GFGFYXLAZCZFIK-GOSISDBHSA-N 423.513 3.922 5 40 HHBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 225872840 OHLBSSQSUUEZDC-UHFFFAOYSA-N 407.426 3.839 5 40 HHBB COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4cccs4)nc3oc2c1 2345132 DZDKATUBODAYNC-UHFFFAOYSA-N 406.419 3.881 5 40 HHBB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 20610215 YBDLPEXHYWQPGO-UHFFFAOYSA-N 417.425 3.909 5 40 HHBB COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)o1 226769204 AYLVVZSKSIHTGZ-UHFFFAOYSA-N 419.393 3.914 5 40 HHBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc(OC)c1OC 1510008 LGTBFXIEIUAGHH-NSIKDUERSA-N 418.789 3.619 5 40 HHBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc([N+](=O)[O-])cc1 3764485 FUXNTYWEVHRORR-UHFFFAOYSA-N 410.411 3.567 5 40 HHBB CCCOc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3[N+](=O)[O-])C2=O)cc1 4369555 GQGKTWFTBPRTNH-UHFFFAOYSA-N 401.806 3.819 5 40 HHBB CCCCc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 9232289 ADFSEHVJEWHGGU-GOSISDBHSA-N 424.453 3.716 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 12962424 UMWKIGDUOONDRR-ODLFYWEKSA-N 403.419 3.934 5 40 HHBB C[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 18109194 HZJHBEIORPGBNV-HNNXBMFYSA-N 411.458 3.847 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1C 24432688 KXDMLKDBPMVURI-UHFFFAOYSA-N 405.476 3.997 5 40 HHBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1 78823252 FTQVOBNFPZNXOO-HNNXBMFYSA-N 410.879 3.707 5 40 HHBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1 7344656 WPHAKZHJTUKIBU-UHFFFAOYSA-N 403.438 3.944 5 40 HHBB Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1N1CCCC1=O 12604586 RZJKJOLRFRJWGL-UHFFFAOYSA-N 423.878 3.793 5 40 HHBB Cc1ccc(NC(=O)NC(=O)Cn2cnc3cc4ccccc4cc3c2=O)c(C)c1 24324548 HDZJFBPCJRZIJI-UHFFFAOYSA-N 400.438 3.515 5 40 HHBB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 33620040 MFUMCRKRYXJTSV-UHFFFAOYSA-N 412.471 3.781 5 40 HHBB Cc1ccc(-c2ccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])o2)c(Br)c1 35147570 AJGGSMQSJUTDIP-ZZXKWVIFSA-N 418.203 3.885 5 40 HHBB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 222649763 QVZQQMKIKMUKGH-GESALYCCSA-N 414.487 3.986 5 40 HHBB O=C(NCc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 825790 DEUVRYKCAAVWST-QNGOZBTKSA-N 401.422 3.682 5 40 HHBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccccc1 2249760 IAKGKTFLVDJOCX-QGZVFWFLSA-N 411.465 3.771 5 40 HHBB Cc1c(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cccc1[N+](=O)[O-] 3542701 KFIBTFKLRUJECA-MRXNPFEDSA-N 400.431 3.540 5 40 HHBB CCOc1ccc2nc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)sc2c1 4583435 LXOXIFBGJHMOEL-UHFFFAOYSA-N 412.471 3.566 5 40 HHBB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 8880786 WIINJYBMPCTFSW-INIZCTEOSA-N 420.347 3.880 5 40 HHBB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)cc1[N+](=O)[O-] 12862346 XYGQDLPZWBAZRD-UHFFFAOYSA-N 418.862 3.947 5 40 HHBB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1F 40113951 YJWLRHMCRCGPHU-UHFFFAOYSA-N 413.449 3.519 5 40 HHBB CC(=O)N1C[C@H](C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc21 78970477 LQPJEXMSUXUHAC-CQSZACIVSA-N 407.430 3.654 5 40 HHBB O=C1N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 409094754 FVPYLXFAMRVLDT-XDHOZWIPSA-N 406.373 3.618 5 40 HHBB O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccc([N+](=O)[O-])cc1Cl 4714840 VOTKBIQYBGIGPK-UHFFFAOYSA-N 400.807 3.667 5 40 HHBB C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 5712008 NXGAKJDJRUCNPG-CYBMUJFWSA-N 401.394 3.518 5 40 HHBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)c2c1CCCC2 12734666 BMFPRLKKHLVSHI-UHFFFAOYSA-N 423.448 3.640 5 40 HHBB COc1ccc(CC(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1Br 4028449 CROUFIXEGPEITQ-CKYAKLRSSA-N 411.360 3.953 5 40 HHBB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] 9985271 TVGOFTCNDJFWLQ-UHFFFAOYSA-N 418.405 3.930 5 40 HHBB Cc1cc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1C 12766748 ZHVRFJZJYRPRMT-KRWDZBQOSA-N 410.474 3.501 5 40 HHBB O=C(c1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 12892525 MJGJLBBMPRKKGA-UHFFFAOYSA-N 423.856 4.000 5 40 HHBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 16742217 TWSBJQNQTRYYCJ-HXUWFJFHSA-N 424.478 3.578 5 40 HHBB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc21 16749578 SXSKABYWQVFKEM-LLVKDONJSA-N 416.817 3.585 5 40 HHBB CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 18111567 WTDNWOORJIATQL-UHFFFAOYSA-N 411.936 3.990 5 40 HHBB S=C(Nc1cc2cccnc2c2cccnc12)N1CCN(c2ccccn2)CC1 408975894 OVGVXZFDYVFJHN-UHFFFAOYSA-N 400.511 3.697 5 40 HHBB O=[N+]([O-])c1cnc2n1C[C@@H](CSc1nc(-c3ccccc3)cc(C(F)(F)F)n1)O2 4010337 PCECMFFBTRGXJC-NSHDSACASA-N 423.376 3.820 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 6229862 MAXLOZQWIOGMJM-UHFFFAOYSA-N 413.213 3.635 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCCO1)C3=O 9185098 ARHBPXGVYLFKOK-JXFKEZNVSA-N 420.421 3.734 5 40 HHBB Cc1ccc(OCc2n[nH]c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 9284703 VIVIJXJPAQYQMH-UHFFFAOYSA-N 424.442 3.943 5 40 HHBB COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17089841 BNAOMSKIHFLLRZ-RUDMXATFSA-N 414.468 3.740 5 40 HHBB CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1 57994093 VXEMURZEPJNYPI-AWEZNQCLSA-N 405.520 3.618 5 40 HHBB O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCN(c2ccccn2)CC1 408977945 ZXQGMGUTOOCJNA-UHFFFAOYSA-N 408.465 3.622 5 40 HHBB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 4118572 DYFMTPXGVVXJFP-QPJJXVBHSA-N 414.893 3.518 5 40 HHBB COc1ccc([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F 7031256 IFVPFGSFYZQDKS-CQSZACIVSA-N 401.438 3.836 5 40 HHBB COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8925876 GKJBEWNJZIYMLD-FQEVSTJZSA-N 418.409 3.515 5 40 HHBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br 223647058 QKWHXBFOQJLFMD-UHFFFAOYSA-N 421.656 3.820 5 40 HHBB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccc([N+](=O)[O-])c1 409135152 VAIYYTHENSJQOU-XJKSGUPXSA-N 403.508 3.660 5 40 HHBB Cc1ccc(OCc2nn(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c(=S)o2)cc1 409155909 RUXHOXCLGJDZLN-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3F)n2)c1 5053303 XRYIXFHSOUNQNE-UHFFFAOYSA-N 400.370 3.611 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccn1 9009613 QJSQWSSTSJCCFR-IBGZPJMESA-N 417.352 3.985 5 40 HHBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1NS(=O)(=O)c1ccccc1 32930132 JIBMYHUZRKTJNO-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB O=c1c2cc3c(=O)n(-c4ccccc4Cl)ccc3nc2ccn1Cc1ccccn1 36125584 LNKZSQCVBIWFBV-UHFFFAOYSA-N 414.852 3.797 5 40 HHBB Cc1ccc(C)c(NC(=S)N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 4857538 GSXXMETWPCEMBG-UHFFFAOYSA-N 412.515 3.803 5 40 HHBB C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 12586967 GVOZNSCMRFKPIM-GFCCVEGCSA-N 407.268 3.830 5 40 HHBB O=C(Nc1ccc(I)cn1)c1ccc([N+](=O)[O-])cc1Cl 218889671 GTESILFBFHFAML-UHFFFAOYSA-N 403.563 3.500 5 40 HHBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409018778 ZEKLMYKDICILLP-FFCYNSPCSA-N 416.411 3.843 5 40 HHBB Cc1ccc(-c2ccc(C(c3c(O)n[nH]c3C)c3c(O)n[nH]c3C)o2)cc1[N+](=O)[O-] 409085054 WKWRLVVDKOYKNZ-UHFFFAOYSA-N 409.402 3.818 5 40 HHBB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 7006555 WIHHAAMSUSMUNX-GFCCVEGCSA-N 407.854 3.724 5 40 HHBB COc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccn2)cc1OC 27581139 AOFNMWYFUMOOBU-UHFFFAOYSA-N 423.425 3.619 5 40 HHBB COc1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1OC 27661999 OAMNOKWOHBACHN-UHFFFAOYSA-N 423.425 3.619 5 40 HHBB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn12 57312989 QPAHYXSIIBPLSG-UHFFFAOYSA-N 414.834 3.975 5 40 HHBB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c1 408649479 DOVMBNDYHRPCKC-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB Cc1cc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 12794344 GGVOLOFFTKZODR-OAHLLOKOSA-N 411.437 3.860 5 40 HHBB Cc1c(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cccc1[N+](=O)[O-] 12984331 DSJFLRAJDUVEAJ-UHFFFAOYSA-N 403.438 3.655 5 40 HHBB Cc1cc(C)cc(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 103155525 TVGGSYRIBDYTRP-WTGUMLROSA-N 408.410 3.671 5 40 HHBB CCOc1c(O)ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1[N+](=O)[O-] 713175 RRONYMSCJPMPER-GHXNOFRVSA-N 405.204 3.954 5 40 HHBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1 5788529 YXVYJHXUSFECSR-UHFFFAOYSA-N 414.443 3.616 5 40 HHBB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1Cl 16385782 SVAJKUBJRWEQTJ-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 4554049 YAQFDGRMMIEVQF-QGZVFWFLSA-N 416.459 3.580 5 40 HHBB O=C(OCc1nc(-c2cccs2)no1)c1cc([N+](=O)[O-])ccc1N1CCCC1 6985695 VDLYTMRRTGOMBE-UHFFFAOYSA-N 400.416 3.664 5 40 HHBB Cc1ccc(-n2ncc([C@@H](C)NC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)c2C)cc1 31563015 PVAGEJLTDIRXGC-OAHLLOKOSA-N 407.474 3.954 5 40 HHBB COc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c([N+](=O)[O-])c1 32097424 SSXGAGWXIDGFFY-UHFFFAOYSA-N 405.432 3.843 5 40 HHBB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 100580351 RQYNFXLABWOWGX-FASAQXTFSA-N 408.410 3.740 5 40 HHBB COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1OC 5399114 IYLUNCUUULNZCD-UHFFFAOYSA-N 412.402 3.623 5 40 HHBB CCCCc1ccc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1 5400622 IZFFFDIMVDYGAJ-UHFFFAOYSA-N 406.442 3.800 5 40 HHBB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 5518897 QPAULWLBZNRHRU-GFCCVEGCSA-N 413.459 3.816 5 40 HHBB COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c13)O[C@@H]1OC=C[C@H]21 13374571 MLCZRFXGJOUFHE-IPQOISQHSA-N 410.422 3.710 5 40 HHBB biogenic,in-vitro Cc1c(C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)cccc1[N+](=O)[O-] 23106405 NHEWYOSGJGIWRI-HSZRJFAPSA-N 419.481 3.860 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 1514721 JOFDQRGCZJQVFI-UHFFFAOYSA-N 404.378 3.887 5 40 HHBB Cc1c(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cccc1[N+](=O)[O-] 3542702 KFIBTFKLRUJECA-INIZCTEOSA-N 400.431 3.540 5 40 HHBB Cc1c(Br)ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1C 8433618 YIRAXEGWGDVBCQ-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 8869843 TTZPQWFKNNDRPH-FQEVSTJZSA-N 424.478 3.578 5 40 HHBB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)C[S@@](=O)C3)c1C 9413784 RSDVMLYGQPJDEX-PMERELPUSA-N 424.482 3.720 5 40 HHBB COc1cc(CCNC(=O)c2cc3c(Cl)cccc3[nH]2)c([N+](=O)[O-])cc1OC 13007331 UIGVFZUJHVABMK-UHFFFAOYSA-N 403.822 3.719 5 40 HHBB CC(C)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 89893423 MKCGGOZNJSSYDU-UHFFFAOYSA-N 406.460 3.531 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 408583251 SWTUBAUFSIDCHG-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccc(F)cc3s2)CC1 5181298 MMBBKRAMCRRHPN-QPJJXVBHSA-N 412.446 3.706 5 40 HHBB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 14404626 BGVFVLMKNNWIBM-MDZDMXLPSA-N 405.414 3.839 5 40 HHBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Br 15008630 ZAUGWNNYJHTJCL-UHFFFAOYSA-N 420.263 3.755 5 40 HHBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccccc1[N+](=O)[O-] 16449279 WZAOJXPRUXBGLQ-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccnc1OCC(F)(F)F 40070183 OAISEMVPUVGQLP-UHFFFAOYSA-N 403.744 3.857 5 40 HHBB O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(N=c2cc[nH]cc2)cc1 609843528 YSPAFLLKNAWQJV-UHFFFAOYSA-N 400.398 3.798 5 40 HHBB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 2730600 UOTQFAQAAWCIGH-USTZCAOPSA-N 414.801 3.707 5 40 HHBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(OC)c1OC 5930534 NCEUMUSRGUZZJB-UHFFFAOYSA-N 415.446 3.863 5 40 HHBB Cc1cc(C)cc(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 6922065 TVGGSYRIBDYTRP-FGYAAKKASA-N 408.410 3.671 5 40 HHBB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(Cl)cc1[N+](=O)[O-] 8826768 OQZIJFOCEALCCE-UHFFFAOYSA-N 414.834 3.799 5 40 HHBB O=Cc1c(OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc2ccccc12 9764536 PYBQMYVMISYDRO-UHFFFAOYSA-N 422.393 3.739 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CN(Cc1ccccc1)CC2 16003229 MNDKQROYYHTFRI-UHFFFAOYSA-N 424.482 3.627 5 40 HHBB O=C(Nc1ccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 27207300 WULDWFXSMDAQJS-LJQANCHMSA-N 408.410 3.666 5 40 HHBB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223035471 GBRFQFSIFFIXIZ-UXHICEINSA-N 424.482 3.869 5 40 HHBB CCOC(=O)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 408732537 WLVZEIVMZPUFPQ-SXGWCWSVSA-N 400.774 3.769 5 40 HHBB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1O 4694924 RNZFPAXXNGHMBF-LICLKQGHSA-N 400.412 3.936 5 40 HHBB Cc1ccc(C)c(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 14401620 ZNOGMARJSLEWEM-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB COc1cccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 409178775 IEFZLJYTQPEVME-UHFFFAOYSA-N 413.407 3.655 5 40 HHBB C[C@@H]1CCCCN1c1cc(N2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])cc1F 4624289 XORFJDMKAFTESZ-OAHLLOKOSA-N 406.502 3.807 5 40 HHBB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 5981397 RTWRAHQSFNJXIP-UHFFFAOYSA-N 404.806 3.701 5 40 HHBB COc1ccc(OC)c(-c2cc(C3CCN(c4ncccc4[N+](=O)[O-])CC3)n[nH]2)c1 20405883 AUILCEXTYULELM-UHFFFAOYSA-N 409.446 3.781 5 40 HHBB Cc1c(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] 68835040 AKTQVLGOPYQGJS-UHFFFAOYSA-N 422.407 3.683 5 40 HHBB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 101359374 JGFKJRJPMAOZLQ-GREKMHCPSA-N 403.232 3.615 5 40 HHBB CC[C@@H](C(=O)Nc1cccc(SC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521291 YESMFRGVPSQEPH-KRWDZBQOSA-N 423.516 3.500 5 40 HHBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(O)c([N+](=O)[O-])c3)N21 260784083 UTTWTUGJHRNNFU-DQYPLSBCSA-N 400.460 3.683 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1-n1ccc2nc(N3CCc4ccccc4C3)ncc2c1=O 19959042 SLEJMVPRWZFLAQ-UHFFFAOYSA-N 413.437 3.560 5 40 HHBB CC(C)(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 20611863 HCWHMIPNUQZXMI-UHFFFAOYSA-N 413.474 3.746 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(Cl)n1 89626792 AFMVYNQHKUGPBW-UHFFFAOYSA-N 406.645 3.515 5 40 HHBB CC(C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 106754623 KDMGPOLJBIBFTH-QCDXTXTGSA-N 419.242 3.890 5 40 HHBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2Cl)no1 218053455 RXDHZVFQUCGCPM-UHFFFAOYSA-N 418.862 3.848 5 40 HHBB CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC(C)(C)OC2 2260720 YGTBDRWNCOQBED-UHFFFAOYSA-N 404.444 3.937 5 40 HHBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 6344072 IMVNPPOXPLEPTR-UHFFFAOYSA-N 406.467 3.745 5 40 HHBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O 16755495 DMPUBJJEBFGFOA-UHFFFAOYSA-N 403.485 3.978 5 40 HHBB CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 27519491 KNVSTOMHDPETPY-NVNXTCNLSA-N 401.356 3.961 5 40 HHBB CCc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 222644870 HJLNZXCQPMPABU-UHFFFAOYSA-N 419.503 3.651 5 40 HHBB COc1ccc(OC)c(Nc2nc(NCc3ccc(C)cc3)nc(N)c2[N+](=O)[O-])c1 5215239 FPVKAKCTBRBJDW-UHFFFAOYSA-N 410.434 3.648 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 8472633 SCPPVUITDRHANX-AEFFLSMTSA-N 405.410 3.693 5 40 HHBB CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)Sc2c1nc(CC)n2C(=O)CC 16777631 ZEKODPLHFLVFCX-UHFFFAOYSA-N 401.448 3.614 5 40 HHBB COc1ccc(OC)c(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=NCCCS2)c1 28527510 PAQPGOAQFMNYBF-UHFFFAOYSA-N 415.471 3.794 5 40 HHBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1 33726127 XISLUGXVEBRBCD-PKNBQFBNSA-N 416.411 3.838 5 40 HHBB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1051792 LIJXRTANKMRDHA-MRXNPFEDSA-N 405.794 3.699 5 40 HHBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc2c(c1)OCO2 4087629 MHEWHESWQKQPFH-UHFFFAOYSA-N 410.411 3.508 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(COc2ccccc2C)oc1=S 8571606 DNRARSSMGNSPAY-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 22906541 QWRYPUNGGNPFDS-JOCHJYFZSA-N 402.454 3.519 5 40 HHBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224815015 VSKGIBXWUPYASA-HNNXBMFYSA-N 417.893 3.734 5 40 HHBB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)nn1 4270380 IHZFFOGHBOBQRT-UHFFFAOYSA-N 414.443 3.560 5 40 HHBB COc1cc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)c([N+](=O)[O-])cc1OC 5441772 MUFYGNAHDCSCJO-UHFFFAOYSA-N 413.430 3.690 5 40 HHBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-] 16227706 IMQZBKUPFVZUON-UHFFFAOYSA-N 422.875 3.993 5 40 HHBB CNc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 23957055 JIZUWFBZVVEQJX-UHFFFAOYSA-N 404.470 3.748 5 40 HHBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2c(F)cccc2Cl)c1 38752719 RRVSVRKCTGISGN-UHFFFAOYSA-N 418.899 3.740 5 40 HHBB C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(Cc2cccs2)n(C)c1=S 40091169 GSDSTEXTGLLDRY-LBPRGKRZSA-N 401.517 3.920 5 40 HHBB CC(=O)N1C[C@@H](C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccccc21 78970482 LQPJEXMSUXUHAC-AWEZNQCLSA-N 407.430 3.654 5 40 HHBB C[C@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 100580374 MXMQSSRBPPKJAF-MJXNMMHHSA-N 408.410 3.740 5 40 HHBB CCOC(=O)N1CCN(C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 408993573 WINUEXIUXNWXIT-UHFFFAOYSA-N 418.457 3.570 5 40 HHBB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 4546610 APGSSZCGPJKIEI-NRFANRHFSA-N 404.422 3.679 5 40 HHBB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 6933168 XYZNMEFXDANVAF-UHFFFAOYSA-N 405.366 3.828 5 40 HHBB C[C@H](OC(=O)c1cc(Br)c[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14199559 VLTSKZXVRCLRCX-ZETCQYMHSA-N 416.615 3.523 5 40 HHBB Cc1nn2c(nc1=O)SC[C@@H](Sc1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1 16779250 JWZNVQXINFVYIM-IAGOWNOFSA-N 412.496 3.711 5 40 HHBB Cc1nccn1-c1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 79046648 XGWXNVQVSAOZKP-ZDUSSCGKSA-N 400.460 3.666 5 40 HHBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1 215027817 AXYVSXBCOWOVIJ-RQZCQDPDSA-N 400.412 3.849 5 40 HHBB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222522898 DUWJOAFXHBROSS-SFHVURJKSA-N 419.503 3.649 5 40 HHBB COc1ccc(OCc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 408637212 HNLZSHHJKMVZED-UHFFFAOYSA-N 404.360 3.625 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409368145 UAGAFZNXIHMODB-PEYKTXOXSA-N 416.433 3.999 5 40 HHBB O=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 836552 GHGRIOLFDHERNO-UHFFFAOYSA-N 418.405 3.816 5 40 HHBB Cc1cc(C)c2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 4901538 ZBPYESWFXAUVIU-UHFFFAOYSA-N 412.471 3.910 5 40 HHBB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17091674 BEKXYINEBRWICE-UHFFFAOYSA-N 418.862 3.947 5 40 HHBB COc1ccc(NC(=O)CNc2ccccc2NC(=O)c2ccccc2)c([N+](=O)[O-])c1 24661552 JFMPJNYXSKUZOZ-UHFFFAOYSA-N 420.425 3.906 5 40 HHBB Cc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1NC(=O)c1ccccc1 32827308 BMFWAOFNLAWSHO-UHFFFAOYSA-N 418.453 3.997 5 40 HHBB COc1cccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)c1 59948758 SVIUKHBOQPSECQ-UHFFFAOYSA-N 417.377 3.656 5 40 HHBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408676720 BHFXJKHOAYDLPB-CDHQVMDDSA-N 421.453 3.573 5 40 HHBB Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 6244735 YPWPFCFFAFHSEI-UHFFFAOYSA-N 422.361 3.933 5 40 HHBB Cc1ccc(NC(=O)CN(C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12527432 UJWKVBGZENYJOZ-UHFFFAOYSA-N 413.477 3.560 5 40 HHBB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12563835 OJOTYNPZMFAKMQ-UHFFFAOYSA-N 408.483 3.989 5 40 HHBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@@H](C)C3)c(O)n2n1 15391743 HXNJHMNIUSWTLS-MLGOLLRUSA-N 401.492 3.788 5 40 HHBB Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c1oc(=O)c1ccccc12 15955009 HZWVSGUDWHUFOI-NSYGIPOTSA-N 421.493 3.787 5 40 HHBB biogenic Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n(C[C@@H]2CCCO2)c1C 24513648 VTIKPPRGUFIFDN-KRWDZBQOSA-N 405.476 3.746 5 40 HHBB O=C(NCCOc1cccc(Br)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 59851605 HGQOXISDWRJPJR-UHFFFAOYSA-N 420.263 3.740 5 40 HHBB Cc1ccc(OCc2nn(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(=S)o2)cc1 409156897 PIHBDPJSSFDRJW-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB CN1CCN(CCCNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 23762963 ISECKWZAVCFGTL-UHFFFAOYSA-N 418.925 3.768 5 40 HHBB Cc1ccc(-c2nc(CCNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cs2)cc1 58167679 DGRGYGXUUOVADS-UHFFFAOYSA-N 417.512 3.856 5 40 HHBB COc1cc(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)c(OC)cc1Cl 4657255 RUSVJAWDKBEEDC-UHFFFAOYSA-N 417.249 3.843 5 40 HHBB COc1cccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCC2)c1 12533573 NANVMWSNXIIPIS-QFIPXVFZSA-N 424.501 3.745 5 40 HHBB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1 12561248 BNKNPWUMMAWNRY-UHFFFAOYSA-N 412.427 3.675 5 40 HHBB COc1cccc(OCc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 19927431 WACPLEMIRLCIIR-UHFFFAOYSA-N 401.400 3.540 5 40 HHBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 21578240 XIWVTWFNIBYRBS-UHFFFAOYSA-N 420.853 3.542 5 40 HHBB COc1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 226071361 XWNWHLSEICZKNU-IBGZPJMESA-N 417.526 3.917 5 40 HHBB COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] 1300450 SEDMQTXYGDYOQC-JYRVWZFOSA-N 403.188 3.710 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)C3=O 9209873 PIAHEMXTGXBBPT-OXJNMPFZSA-N 420.421 3.734 5 40 HHBB O=C(Cc1ccccc1)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10041977 BLNNDLSFPZCOAU-UHFFFAOYSA-N 420.421 3.789 5 40 HHBB Cc1ccc2nc(NC(=O)c3cccn(Cc4cccc([N+](=O)[O-])c4)c3=O)sc2c1 10187823 VJFOMEFXNOQUAN-UHFFFAOYSA-N 420.450 3.975 5 40 HHBB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 17089084 JSYWYXIFNRIDRA-UHFFFAOYSA-N 412.240 3.932 5 40 HHBB COc1ccc(C(=O)O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 20142824 XVGYFYSKFPVVHQ-UHFFFAOYSA-N 413.430 3.790 5 40 HHBB COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O 662496 YCRWRTKIHULIQF-AUWJEWJLSA-N 416.773 3.527 5 40 HHBB Cc1cc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1Br 8433620 OXBVPQISDYUQQR-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12531797 SYIDOJABRJROAE-SNVBAGLBSA-N 418.866 3.558 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 12920110 JSWDFTRDLPNICR-ODLFYWEKSA-N 403.419 3.934 5 40 HHBB COc1ccc(C(=O)N(CC(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 12940153 WONSHLZQUOVPMR-UHFFFAOYSA-N 405.410 3.889 5 40 HHBB CN(C)C(=O)COc1ccc(NC(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)cc1 32801672 PNRMJTMRVKDURO-UHFFFAOYSA-N 412.229 3.621 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)C3=O 9185102 ARHBPXGVYLFKOK-UZLBHIALSA-N 420.421 3.734 5 40 HHBB Cc1csc(Sc2ccc(C(=O)OCC(=O)NCCC(C)C)cc2[N+](=O)[O-])n1 9507286 BVSKABRPMKQVGG-UHFFFAOYSA-N 423.516 3.830 5 40 HHBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 10010269 KGJRTWJLMRXEIE-UHFFFAOYSA-N 424.442 3.584 5 40 HHBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1cccnc1 61240848 MYUHPFMCNJUDJF-FMIVXFBMSA-N 402.410 3.572 5 40 HHBB COc1cccc(Oc2ccc(CNC(=O)CCNc3ccccc3[N+](=O)[O-])cn2)c1 69922621 JQMHXWQEVJEOAJ-UHFFFAOYSA-N 422.441 3.909 5 40 HHBB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]21 101359454 DWNWFLJGOOEXSQ-OJXGSEEGSA-N 403.232 3.615 5 40 HHBB COCCN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 409217042 NMJRSOWTCDEADM-LDADJPATSA-N 414.439 3.857 5 40 HHBB Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1075018 SARZNFIDDLMOSO-UHFFFAOYSA-N 409.373 3.603 5 40 HHBB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 3089531 XEIPPBMRHTUUAA-YBEGLDIGSA-N 404.334 3.928 5 40 HHBB COc1ccc(-c2csc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)c(OC)c1 6649257 IAUSMYZDSBGIAT-UHFFFAOYSA-N 415.427 3.996 5 40 HHBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cccc1[N+](=O)[O-] 7388294 MKLYCGMGHBLBBX-UHFFFAOYSA-N 424.501 3.850 5 40 HHBB Cc1nc2cc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)ccc2n1-c1ccccc1 95464914 DFQCXQVPLSTZKJ-UHFFFAOYSA-N 413.437 3.836 5 40 HHBB COc1ccc(-c2nnc(SC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)c(OC)c1 7939520 AYALKDNREXXVCM-UHFFFAOYSA-N 401.400 3.523 5 40 HHBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccccc1 10314799 DKBJUZIVHUHVCE-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB COC(=O)C(C)(C)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 23152384 OHCWTSMIUZOSPZ-UHFFFAOYSA-N 422.821 3.731 5 40 HHBB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 110570527 VEKGSQZLJLIFBP-RZQQEMMASA-N 409.486 3.961 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3F)C(=O)[C@H]2C1 408677661 DWRYHWBAQMNRIT-HOCLYGCPSA-N 423.400 3.832 5 40 HHBB Cc1cccc(OCc2nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=S)o2)c1 409157064 VIPAMVZOYOGUIQ-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB COc1ccc(Cn2c(Cc3ccccc3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 1372450 ISHFTYKVSXWHAK-UHFFFAOYSA-N 401.422 3.952 5 40 HHBB CC[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1nc([N+](=O)[O-])cc1C 2732284 QAOBZAKQACNWFM-OAHLLOKOSA-N 424.490 3.939 5 40 HHBB O=C(OCc1cc(=O)oc2cc(Br)ccc12)c1ccccc1[N+](=O)[O-] 22527181 WOQDUGNVSZVRNH-UHFFFAOYSA-N 404.172 3.821 5 40 HHBB COC(=O)c1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc([N+](=O)[O-])c1 24451798 LGMPUGBQFALXQM-UHFFFAOYSA-N 424.453 3.733 5 40 HHBB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl 224789711 PYJLRTUVJNCXDT-UHFFFAOYSA-N 412.851 3.558 5 40 HHBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225165566 DQHJUELYAAYGLZ-HXUWFJFHSA-N 411.502 3.779 5 40 HHBB CCn1c2c(s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCc1ccccc1-2 408560774 FBKUGDXQTGGTDA-MRCUWXFGSA-N 424.438 3.893 5 40 HHBB O=C(Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1c[nH]c2ccc(Br)cc12 1686451 KPRHDEMUYRGXGM-UHFFFAOYSA-N 403.188 3.993 5 40 HHBB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3390502 YPLXTHSEBKNQPZ-SNVBAGLBSA-N 418.862 3.614 5 40 HHBB O=[N+]([O-])c1ccc(-c2csc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 4687477 RUONIOQZGMUXNF-UHFFFAOYSA-N 411.443 3.953 5 40 HHBB COc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2)cc(OC)c1OC 27579653 QOKXICUYEVJYPE-UHFFFAOYSA-N 423.425 3.863 5 40 HHBB COc1ccc(-c2nn(CN3c4ccc([N+](=O)[O-])cc4C[C@H]3C)c(=S)n2C)cc1 32923169 RBOHICJKQQFFGD-CYBMUJFWSA-N 411.487 3.944 5 40 HHBB COc1cc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 40111812 BYNXYBAVKMIWKD-QWHCGFSZSA-N 420.487 3.979 5 40 HHBB CC(C)n1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)cc21 888089331 VUJDIIUWWYLJAZ-QAPCUYQASA-N 420.469 3.552 5 40 HHBB CSc1ccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 12899883 IHYPSXCDHGCXMC-ZBFHGGJFSA-N 413.499 3.889 5 40 HHBB CC(C)n1ncc2cc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cnc21 13002224 OYEMVHILZFVAEY-UHFFFAOYSA-N 404.224 3.935 5 40 HHBB CCN1CCN(c2cc(NC(=O)c3ccccc3F)c(Cl)cc2[N+](=O)[O-])CC1 72229229 NEYRQVUJDJDNGI-UHFFFAOYSA-N 406.845 3.782 5 40 HHBB O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCC(O)(c2ccc(Cl)cc2)CC1 96230748 CPSNOQSZZACVMY-UHFFFAOYSA-N 413.861 3.713 5 40 HHBB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223026766 CFHSWVADRSDDDX-UXHICEINSA-N 424.482 3.869 5 40 HHBB CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 1313012 VSFJRMLOGUIBII-MKXGPGLRSA-N 414.259 3.540 5 40 HHBB COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1[N+](=O)[O-] 2309222 YCGQUTZJFBLLAV-JYRVWZFOSA-N 403.188 3.710 5 40 HHBB CC(C)CCn1c(-c2ccc([N+](=O)[O-])cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5354126 VYAPGRCHZGTXAA-UHFFFAOYSA-N 418.453 3.870 5 40 HHBB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]21 100184649 DWNWFLJGOOEXSQ-DPDCMNJDSA-N 403.232 3.615 5 40 HHBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1[N+](=O)[O-] 408641215 LEBBOONSIHBKCY-LBPRGKRZSA-N 407.348 3.914 5 40 HHBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1OC 2413772 CGNPJOVDDOONJO-UHFFFAOYSA-N 415.453 3.711 5 40 HHBB Cc1ccc(C)c(CSC2=NCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2711627 NKKZGEZRUNCYON-UHFFFAOYSA-N 405.501 3.505 5 40 HHBB C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 3008085 KPZXSHZDEZBLQT-ZDUSSCGKSA-N 410.455 3.933 5 40 HHBB CC1(C)C[C@H](n2[nH]c(=O)c3c2N=C(O)CS[C@H]3c2ccc([N+](=O)[O-])cc2)CCO1 5862057 YBXIMSUDUZZIGS-CJNGLKHVSA-N 418.475 3.639 5 40 HHBB COc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1OC 6406983 HXCVFFAZCPVBNV-UHFFFAOYSA-N 415.427 3.753 5 40 HHBB O=c1[nH]c(/C=C\c2cccc(OCc3c(F)cccc3Cl)c2)c([N+](=O)[O-])c(=O)[nH]1 30840469 FLNGCIDWKHKSHW-FPLPWBNLSA-N 417.780 3.513 5 40 HHBB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O 40116362 GXKHOOQZUDZLNA-QFIPXVFZSA-N 405.410 3.594 5 40 HHBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(OCc2cscn2)cc1 96991214 ZILZHGQIONEADW-QGMBQPNBSA-N 407.407 3.975 5 40 HHBB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1 674410 LGDCJGVQSOGKEX-UHFFFAOYSA-N 423.260 3.598 5 40 HHBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cc(Cl)ccc1O 3154363 JVVJRYOIMNXOGG-UHFFFAOYSA-N 413.729 3.816 5 40 HHBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 6056931 CKXOODQPSCIULZ-JTQLQIEISA-N 413.213 3.851 5 40 HHBB CCOc1cc(NC(=O)CCc2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OCC 12890381 OWODZVCIYDWVQV-UHFFFAOYSA-N 418.446 3.981 5 40 HHBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1cc([N+](=O)[O-])ccc1O 36009212 JBBSDZDZQVKLLG-UHFFFAOYSA-N 421.321 3.802 5 40 HHBB Cc1c(CCOC(=O)c2ccc([N+](=O)[O-])cc2)sc[n+]1Cc1ccccc1F 96305604 SFWIZJBJFKFCPY-UHFFFAOYSA-N 401.439 3.839 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 220379388 OMJSCOREYRFUHR-OAHLLOKOSA-N 419.503 3.820 5 40 HHBB O=C(O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225037486 WQYIHCOMCHGZHC-UHFFFAOYSA-N 412.423 3.542 5 40 HHBB Cc1nn(Cc2ccccc2C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] 2794432 FJIGWXKYJVQWTP-ZDUSSCGKSA-N 422.441 3.676 5 40 HHBB CCOc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 4596836 FVIZRPJVSBZDBQ-UHFFFAOYSA-N 407.338 3.856 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCOc1ccc(Cl)cc1 7267477 YUHRTTHGKPTXAA-ZDUSSCGKSA-N 407.854 3.595 5 40 HHBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1 9438529 MYEAZPYSIYYRTQ-UHFFFAOYSA-N 419.384 3.659 5 40 HHBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(C(F)(F)F)c2)NC(=O)N1 12619883 NUAJXXBTVYPPMJ-INIZCTEOSA-N 420.347 3.880 5 40 HHBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1Cl 17089742 QJIZFRLSWTXSMB-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(N2CCCCCC2)c1[N+](=O)[O-] 5029574 JOPMGMFCEKXVQY-UHFFFAOYSA-N 410.522 3.807 5 40 HHBB COc1ccc2c(CC(=O)OCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])coc2c1 5185008 OESHORBLLAYHSH-UHFFFAOYSA-N 412.398 3.691 5 40 HHBB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6474508 JPQDUENFEUOIHD-NRFANRHFSA-N 407.378 3.946 5 40 HHBB Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c(C)c1[N+](=O)[O-] 8985743 GVKPPGKQEWIXTB-AWEZNQCLSA-N 415.500 3.909 5 40 HHBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 9989998 KUUSUCGJMJQVDY-FPYGCLRLSA-N 422.437 3.501 5 40 HHBB Cc1cccc(N2C(=O)c3cccc4c(N5CCOCC5)c([N+](=O)[O-])cc(c34)C2=O)c1 15974066 BGOVZVSVSDCQGM-UHFFFAOYSA-N 417.421 3.694 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1[N+](=O)[O-] 225147462 OLSPDLBSUCKSET-UHFFFAOYSA-N 407.473 3.661 5 40 HHBB CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccc([N+](=O)[O-])c1 409135150 VAIYYTHENSJQOU-CJNGLKHVSA-N 403.508 3.660 5 40 HHBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCN2c3ccccc3C[C@H]2C1 582213526 NOSGULQFNMUPJX-SFHVURJKSA-N 409.489 3.959 5 40 HHBB C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCC1=CCCCC1 4840360 JJABPXLQUHFDAP-INIZCTEOSA-N 415.490 3.747 5 40 HHBB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9512009 MYJHOKZHSVLZNJ-UHFFFAOYSA-N 419.850 3.568 5 40 HHBB C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 25211007 DDZATNIZOZODAO-GFCCVEGCSA-N 402.838 3.814 5 40 HHBB COc1ccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)CN2CCCCC2)cc1 58268830 DQHKRLDUZOFVNP-QFIPXVFZSA-N 422.485 3.767 5 40 HHBB Cc1cc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)ccc1[N+](=O)[O-] 218133668 SLPNJIYYUSVXGO-UHFFFAOYSA-N 417.219 3.646 5 40 HHBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C)c1 224146333 HXHKAYZVVBOHRL-SFHVURJKSA-N 411.502 3.635 5 40 HHBB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2251763 LFEPLMKZOTYFFP-ZBFHGGJFSA-N 403.460 3.585 5 40 HHBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1Nc1cccc(Cl)c1 3044968 PWXHXQHHCHEFQD-UHFFFAOYSA-N 412.745 3.933 5 40 HHBB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nn2)s1 4392254 KSLZZOBIDGCQGT-UHFFFAOYSA-N 401.473 3.856 5 40 HHBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CC(=O)N(Cc2ccco2)C1 5204798 LTAFSHORZCVDNU-MRXNPFEDSA-N 417.417 3.631 5 40 HHBB Cc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 226353792 VCZTWVULFBJKIS-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1SCC(=O)N1CCCC1 3528830 JXGSSQQKXTZQEM-UHFFFAOYSA-N 400.456 3.666 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269492 BYXISSWOLIOQMH-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCc1c[nH]c2ccccc12 6923476 PELAMYWNTCJLNG-UHFFFAOYSA-N 414.487 3.515 5 40 HHBB Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c1 9227073 PVHXFELUOQWJIZ-UHFFFAOYSA-N 416.459 3.553 5 40 HHBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 18127363 DKUPHKMYSNNQSX-CEXWTWQISA-N 421.434 3.707 5 40 HHBB COC(=O)c1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 97165913 AQKRLXTWHPGMQE-UHFFFAOYSA-N 408.360 3.998 5 40 HHBB O=C(c1ccc(Cl)cc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 724207 AOMLVVHLVWGPIO-INIZCTEOSA-N 413.739 3.858 5 40 HHBB COc1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 4895836 WTLVEKGFGCIXPX-UHFFFAOYSA-N 409.364 3.585 5 40 HHBB CC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc1 5350444 KPCNDCYOIJADCK-UHFFFAOYSA-N 402.406 3.922 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(NC2CCCCC2)s1 8878912 LFRMSZFHJMVAMQ-UHFFFAOYSA-N 423.520 3.930 5 40 HHBB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 12750181 BXNGOXDMMSWDKD-KBPBESRZSA-N 404.492 3.547 5 40 HHBB Cc1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nn1-c1ccc(F)cc1 12932309 NOKWVRIIADWDMQ-UHFFFAOYSA-N 403.801 3.549 5 40 HHBB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 24834562 CBOFHHRWPFLWGX-UHFFFAOYSA-N 415.877 3.970 5 40 HHBB COc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 46069186 GJBDFHBQWAZURS-CHWSQXEVSA-N 403.410 3.608 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCCSc1ccccc1 5638046 FNIWGBTVTQERFJ-UHFFFAOYSA-N 421.544 3.974 5 40 HHBB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] 32373680 LNCRQHHLPZPEAX-GOSISDBHSA-N 424.284 3.705 5 40 HHBB CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)oc1-c1ccccc1 1387877 PRNDECLJSMIBEF-UHFFFAOYSA-N 408.366 3.644 5 40 HHBB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4895693 RGBKIQCOHOXKBI-UHFFFAOYSA-N 405.838 3.654 5 40 HHBB C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 6462523 ZJWFHJOUCVZRKQ-MRXNPFEDSA-N 419.437 3.931 5 40 HHBB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 8749293 IAFZNJLHGXXGLT-GFCCVEGCSA-N 407.854 3.724 5 40 HHBB CC(C)c1c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 40070017 RQKMTVCNPSEGOX-IBGZPJMESA-N 412.421 3.506 5 40 HHBB CCc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1807617 ITUAUZJKJBLDKB-UHFFFAOYSA-N 409.442 3.952 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 4703649 BXKWRQWHWOMSIF-UHFFFAOYSA-N 411.483 3.567 5 40 HHBB CCOc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1[N+](=O)[O-] 17088857 IYLMPDXJWIVBSD-UHFFFAOYSA-N 411.439 3.979 5 40 HHBB O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142621 JBEPOGHGFAHVTI-KRWDZBQOSA-N 403.442 3.907 5 40 HHBB O=C(NCc1cccc(Br)c1)c1cccn2c(=O)c3ccccc3nc12 51317277 NIHLTCNQYBRXOA-UHFFFAOYSA-N 408.255 3.540 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Br)cc1F 57014517 XEKBYNHQINGLNO-UHFFFAOYSA-N 403.229 3.630 5 40 HHBB CCOc1ccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OCC 218048469 ODPRVXVDNSWXQD-UHFFFAOYSA-N 404.488 3.942 5 40 HHBB O=C1c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 408528349 FUYIAXYZRRCZHW-UHFFFAOYSA-N 403.394 3.854 5 40 HHBB CC(=O)c1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 844881 DQMVAMQKBJAZGV-UHFFFAOYSA-N 414.373 3.829 5 40 HHBB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 4690681 NHLKUSHVYZDISR-UHFFFAOYSA-N 405.476 3.658 5 40 HHBB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9994322 SDAFJNWQLFGEMN-UHFFFAOYSA-N 412.398 3.811 5 40 HHBB COc1ccc(C)cc1C1(CNc2nc3sccn3c2[N+](=O)[O-])CCOCC1 58394126 ZQFLWJBZPYHYCV-UHFFFAOYSA-N 402.476 3.781 5 40 HHBB O=C(Nc1ccc(I)cn1)c1cc([N+](=O)[O-])ccc1Cl 96957115 LNDLQDCYSXEDES-UHFFFAOYSA-N 403.563 3.500 5 40 HHBB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2Cl)sc2cc([N+](=O)[O-])ccc21 100877315 AFLWFJDIQQOUFY-ZZEZOPTASA-N 419.846 3.569 5 40 HHBB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 6615213 PZMFJVKLQFELFB-UHFFFAOYSA-N 411.395 3.680 5 40 HHBB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1Br 408644339 SPHCPLAUCQTNRI-LBPRGKRZSA-N 418.247 3.657 5 40 HHBB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 6882630 DWWIZBBULCCOHY-UHFFFAOYSA-N 400.807 3.667 5 40 HHBB Cc1cccc(C)c1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N1CCOCC1 9707465 KZYZUSPQBGIRMD-DQRAZIAOSA-N 410.499 3.942 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 17200641 BCVLVWDKKFPAMO-UHFFFAOYSA-N 423.450 3.599 5 40 HHBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 32127859 KHNOGQJEEUCHEJ-UHFFFAOYSA-N 408.443 3.939 5 40 HHBB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 5211088 FSUVIYJGNJKGQA-OAHLLOKOSA-N 408.414 3.581 5 40 HHBB CCOc1cc2c(cc1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)O[C@H](C)C2 12981176 PPRPNWPZAVWAJX-GFCCVEGCSA-N 402.472 3.969 5 40 HHBB COc1ccc(CCC2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1 48312187 QHKMBEKRNBZQBK-UHFFFAOYSA-N 411.458 3.814 5 40 HHBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] 408643236 QRLAPOLLWVSUGK-GFCCVEGCSA-N 418.247 3.657 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)c3)C(=O)[C@@H]2C1 408681382 JDOSQFMECMKSPJ-DLBZAZTESA-N 423.400 3.832 5 40 HHBB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 409232005 MOUHUZQWLJMLIY-DEDYPNTBSA-N 402.410 3.787 5 40 HHBB COc1cc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)ccc1OC(C)=O 675731 XXRLBMZKAWWMJK-VIZOYTHASA-N 416.773 3.527 5 40 HHBB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 4392391 VYUFLKRXBRVYKK-UHFFFAOYSA-N 417.512 3.856 5 40 HHBB Cc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 10371791 AZJULILIVUCFBY-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB Cc1ccc([C@H](C)NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)c(C)c1 36619545 YGERRBUGOFFONA-HNNXBMFYSA-N 416.441 3.807 5 40 HHBB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 40141008 DBBGYDUQTDLBMA-BETUJISGSA-N 423.516 3.860 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 409177269 GGPKHBOXQWFNAS-UHFFFAOYSA-N 408.366 3.771 5 40 HHBB O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccc([N+](=O)[O-])c1 59488944 ZLOYYUXSNJOXDL-MRXNPFEDSA-N 413.739 3.858 5 40 HHBB COc1cccc(C(=O)Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1 710831 AMLFCLPANQCCMI-UHFFFAOYSA-N 418.361 3.623 5 40 HHBB COc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 3442494 YCSSRSAPKLPFTC-UHFFFAOYSA-N 420.421 3.666 5 40 HHBB Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc12 4583557 BGBCRYMRFYPGIJ-UHFFFAOYSA-N 406.851 3.722 5 40 HHBB COc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 4863499 SXYNQMOFBBLDBH-UHFFFAOYSA-N 400.309 3.892 5 40 HHBB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1cccc([N+](=O)[O-])c1)CCCS3 8738983 DSFMWIFYTJIJCJ-UHFFFAOYSA-N 422.466 3.812 5 40 HHBB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 33736832 KRISFEFUUUKART-CQSZACIVSA-N 411.487 3.815 5 40 HHBB CC(C)Cn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O 40399019 JUQNAGUAEOXHNF-UHFFFAOYSA-N 418.501 3.522 5 40 HHBB O=C(c1cc(F)ccc1F)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 48289338 YCEKPPAGRUCVBH-UHFFFAOYSA-N 400.385 3.775 5 40 HHBB CCOc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1Br 73642356 CYCURDNIFSKIBE-UHFFFAOYSA-N 418.247 3.835 5 40 HHBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])S2)cc1 408774133 ADJRBPRZHODGQU-JYWRCUDFSA-N 415.471 3.774 5 40 HHBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 7088446 OTKAEDMUSADOSP-GOSISDBHSA-N 405.863 3.808 5 40 HHBB Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] 8033534 YVYBMXWKCYOZAY-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB COCCn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nc2ccccc21 9509365 MRJLTMVMGHVWMO-UHFFFAOYSA-N 420.878 3.975 5 40 HHBB COc1ccccc1C[C@@H](C)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 78903530 GWPUXLYXFSYWRW-OAHLLOKOSA-N 408.458 3.635 5 40 HHBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 4310951 HZANHBCYVKZQAY-UHFFFAOYSA-N 405.476 3.912 5 40 HHBB Cc1ccccc1OCc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=S)o1 8571604 PWPVWEUQNIYLCX-UHFFFAOYSA-N 400.416 3.640 5 40 HHBB COc1ccc([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F 7031250 IFVPFGSFYZQDKS-AWEZNQCLSA-N 401.438 3.836 5 40 HHBB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12642647 DFVBLZDBDNHJML-MRXNPFEDSA-N 417.462 3.537 5 40 HHBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 35808517 LTSSNJKYSUGPMN-LERMDLETSA-N 417.421 3.564 5 40 HHBB Cc1ccccc1-c1nc2scc(CCNC(=O)c3cccc([N+](=O)[O-])c3)n2n1 4375585 VPQUNSAWCMUOSJ-UHFFFAOYSA-N 407.455 3.647 5 40 HHBB CCOC(=O)c1c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)sc(CC)c1C 6790752 XQMYAHYXTKXXIO-UHFFFAOYSA-N 416.459 3.692 5 40 HHBB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)no1 9109238 YCLQLQXESPUYGX-SFHVURJKSA-N 421.340 3.887 5 40 HHBB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9820721 OPHVZETYXMFISD-UHFFFAOYSA-N 417.878 3.698 5 40 HHBB Cc1c(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cccc1[N+](=O)[O-] 23103979 DPHZYQJBZIKIHL-UHFFFAOYSA-N 402.760 3.812 5 40 HHBB COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O 409169852 SGESYJAJXOHQJZ-PXNMLYILSA-N 416.411 3.681 5 40 HHBB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cn3cc([N+](=O)[O-])cn3)n2)c1 2733264 OKSUXWUSYZQKGN-UHFFFAOYSA-N 405.414 3.845 5 40 HHBB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 8749290 IAFZNJLHGXXGLT-LBPRGKRZSA-N 407.854 3.724 5 40 HHBB Cc1csc(Sc2ccc(C(=O)NCCCn3ccnc3)cc2[N+](=O)[O-])n1 8778720 AMXBGESNXCUVEY-UHFFFAOYSA-N 403.489 3.528 5 40 HHBB O=C(NCc1ccc(Br)cc1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 72329393 VRWSMTYJKSFSAA-UHFFFAOYSA-N 401.220 3.677 5 40 HHBB CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220388782 YEAIADITWVHDJO-OAHLLOKOSA-N 419.503 3.567 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 11762621 RUHQZDVYUPJTTA-UHFFFAOYSA-N 419.441 3.987 5 40 HHBB C[C@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 18705227 DPDGXUKILBGHFN-INIZCTEOSA-N 420.473 3.657 5 40 HHBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 95453633 KUYWRLDMCOWALY-UHFFFAOYSA-N 400.338 3.599 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 7928446 NYXJJJKQETXXEA-LBPRGKRZSA-N 403.822 3.557 5 40 HHBB CCCCCn1ccc2nc3ccn(Cc4ccc(OC)cc4)c(=O)c3cc2c1=O 40398787 BBLZJOKULJNEBN-UHFFFAOYSA-N 403.482 3.959 5 40 HHBB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 9664239 ALPBJONVISTSLJ-UHFFFAOYSA-N 411.487 3.836 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12641616 OFCJGJIYBXXQCY-UHFFFAOYSA-N 420.351 3.553 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)c(F)c1 23294634 LTEKICREJRPZKR-UHFFFAOYSA-N 418.377 3.958 5 40 HHBB CC(C)c1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222363452 FEYJWSYHGYOOTJ-UHFFFAOYSA-N 419.503 3.903 5 40 HHBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223090497 GJHYEBNTJXVFOK-JKSUJKDBSA-N 415.465 3.608 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c(C)[nH]c2c(Cl)cccc12 4204963 PWICQRMHFVNIGQ-UHFFFAOYSA-N 407.879 3.867 5 40 HHBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C 222678721 QAXCRMSQMQLAJE-KRWDZBQOSA-N 411.502 3.778 5 40 HHBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(F)cc1 1508182 PEUPWSWCZKEXNI-UHFFFAOYSA-N 419.368 3.634 5 40 HHBB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 4953295 SQWJNTSBVWFYLS-KRWDZBQOSA-N 416.890 3.988 5 40 HHBB CNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] 15303988 DOLNMKBQJQFAMZ-UHFFFAOYSA-N 424.379 3.744 5 40 HHBB CCOC(=O)c1cc(C(=O)N(CC)Cc2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1 23733923 OFJBOGZNVBSSQL-UHFFFAOYSA-N 404.394 3.582 5 40 HHBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 32194112 MOSUPAIZQQWIDQ-SXGWCWSVSA-N 416.411 3.763 5 40 HHBB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)N(C)[C@H]1c1ccc(F)cc1F 32905328 OHBISOSSZHMNOH-SFHVURJKSA-N 417.368 3.933 5 40 HHBB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 866282 PTBORRPVDCHVEZ-UHFFFAOYSA-N 400.456 3.984 5 40 HHBB Cc1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 1190703 WLGFIMDFPFEGIL-ODLFYWEKSA-N 403.419 3.934 5 40 HHBB O=C1CC2(CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)Oc2ccccc21 4505535 BSULWPRGUIDSOK-UHFFFAOYSA-N 400.818 3.888 5 40 HHBB CCc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2CCCOC 5030615 MTPDPJZDOIWZEY-UHFFFAOYSA-N 407.518 3.939 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 7574045 FERZANHUZDQDNN-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc2c(c1)OCO2 32900277 VXLDZDSYEPRZDT-OAHLLOKOSA-N 400.434 3.761 5 40 HHBB COCCCn1c(SCCOc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 40123080 ZDSUEOZNGMVJLL-UHFFFAOYSA-N 415.471 3.512 5 40 HHBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 205680613 JFEGCUIVRZWVMA-LICLKQGHSA-N 400.412 3.936 5 40 HHBB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 216034564 BUBHLENINZNSLN-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB COc1cc(NC(=O)COc2ccc(Br)cc2F)c(C)cc1[N+](=O)[O-] 5102174 DVGZRJLACRQKEA-UHFFFAOYSA-N 413.199 3.831 5 40 HHBB COc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)c([N+](=O)[O-])c1 20788748 VILAQCMAXYXWEW-UHFFFAOYSA-N 415.456 3.592 5 40 HHBB Cc1cc(C)c2nc3s/c(=C\c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n3c2c1 50861745 KGCWOQUUWJHVST-UNOMPAQXSA-N 416.462 3.773 5 40 HHBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 16400862 FVKOMEQUIZYLRH-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB O=Cc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Br)cc12 17082319 HAIHPOYSVFQWNE-UHFFFAOYSA-N 402.204 3.763 5 40 HHBB CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 867233 TUJBRIPAOBTKPR-QGZVFWFLSA-N 416.890 3.988 5 40 HHBB COc1ccc(OCc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 7342089 RKFCJOZZJWRRIL-UHFFFAOYSA-N 401.400 3.540 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574188 KERPRSYMILQVAR-UHFFFAOYSA-N 413.817 3.719 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 18247402 POIAQCMMXQUSHM-RBUKOAKNSA-N 406.394 3.660 5 40 HHBB Cc1c(CSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] 72283178 VUNHXNLNTYXZQX-QGZVFWFLSA-N 417.535 3.956 5 40 HHBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 2478063 JYYQLROZQSGCPH-INIZCTEOSA-N 405.391 3.908 5 40 HHBB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5416229 XPWHXPFMTNMZHP-GQCTYLIASA-N 400.334 3.870 5 40 HHBB C[C@@H](NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 18705226 DPDGXUKILBGHFN-MRXNPFEDSA-N 420.473 3.657 5 40 HHBB CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57669502 UTTNMCCTYZVVOH-HXUWFJFHSA-N 413.526 3.606 5 40 HHBB Cc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 226353829 NROKAVXYTDGWNN-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB O=C(Cc1ccc(Br)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3329516 OWJVNOLEMOHLPQ-UHFFFAOYSA-N 408.204 3.510 5 40 HHBB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 7721369 OYLKOMQYOMIUMW-UHFFFAOYSA-N 402.794 3.579 5 40 HHBB CNC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(Cl)c1 44087366 QMDJIICSSDQBNS-UHFFFAOYSA-N 402.863 3.939 5 40 HHBB O=C(Oc1cc(=O)oc2c1c(=O)n1c3c(cccc23)CCC1)c1ccc(Cl)cc1 642509 VQIZBCNXWKFVEW-UHFFFAOYSA-N 407.809 3.927 5 40 HHBB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 714620 DJIHXHYPPBWYFO-LJQANCHMSA-N 421.375 3.696 5 40 HHBB CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 4976629 HFILKYCDAXSLFK-GFCCVEGCSA-N 413.459 3.698 5 40 HHBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)C12CC3CC(CC(C3)C1)C2 32724215 YCRHCLDQPACSEE-TWSLPJAOSA-N 401.415 3.654 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)c(C)c1 58167273 QJSSXTOKKAQICS-UYAOXDASSA-N 419.503 3.728 5 40 HHBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCC1=O 408687444 UJZANDXWZHIMPF-UHFFFAOYSA-N 422.224 3.608 5 40 HHBB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24870200 LOAQWEHGPGPUQH-UHFFFAOYSA-N 403.438 3.936 5 40 HHBB Cc1ccc(C(=O)C2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)c(C)c1 25488159 INAOOWLRHBCXAD-UHFFFAOYSA-N 409.442 3.672 5 40 HHBB CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531073 ZGBDXRLHPXBQHX-SFHVURJKSA-N 419.503 3.703 5 40 HHBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409370679 DDMMGMMVBNNBIT-PEYKTXOXSA-N 416.433 3.999 5 40 HHBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1Cc1ccccc1 4515760 DPJPAWWLCVCRRZ-UHFFFAOYSA-N 414.421 3.534 5 40 HHBB CCNc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] 5656157 OGPRVACUUNOEFJ-UHFFFAOYSA-N 413.217 3.524 5 40 HHBB CC1CCN(c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2[N+](=O)[O-])CC1 6202775 DOVIIWKJXATCEM-UHFFFAOYSA-N 424.501 3.920 5 40 HHBB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 6508644 BGNPNASNKBCUEV-LJQANCHMSA-N 407.401 3.714 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6968527 SPSVQXSNHCHVFL-UHFFFAOYSA-N 413.411 3.507 5 40 HHBB CCN1CCN(c2cc(NC(=O)c3ccc(C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229093 MSXCHNUJZZLRRM-UHFFFAOYSA-N 402.882 3.951 5 40 HHBB Cc1cc(N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 78968030 KWKXXLFBLCATQE-QGZVFWFLSA-N 413.478 3.854 5 40 HHBB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 102179973 PPSMOBOWPJWWCF-SRVKXCTJSA-N 400.353 3.922 5 40 HHBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1Nc1ccc(Cl)cc1 3044966 KJXPKJSDUGZVSU-UHFFFAOYSA-N 412.745 3.933 5 40 HHBB O=C(Nc1nc2ccccc2s1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270799 JURTUYLMCUEHGZ-UHFFFAOYSA-N 406.423 3.667 5 40 HHBB O=c1[nH]c(/C=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c([N+](=O)[O-])c(=O)[nH]1 6496713 SQRNPLYTKMBZRF-XYOKQWHBSA-N 415.405 3.874 5 40 HHBB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 15408338 NDGBTAQLEQEZSP-UHFFFAOYSA-N 411.439 3.672 5 40 HHBB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 36801032 WXKYZYPGBAPECI-UHFFFAOYSA-N 419.393 3.506 5 40 HHBB COc1c2c(c(O)c3c(=O)c4c(OC)c(O)ccc4oc13)[C@H]1CCC[C@](C)(O2)O1 100062528 MTCOVRSZCNNQLP-FIKIJFGZSA-N 400.383 3.725 5 40 HHBB biogenic,in-vitro Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1[N+](=O)[O-] 408648498 YKZKZIKWPVWREG-LBPRGKRZSA-N 407.348 3.914 5 40 HHBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccc([N+](=O)[O-])cc1 788122 JISXKGDIKMNZLE-GOSISDBHSA-N 418.405 3.527 5 40 HHBB COc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1 850967 YZWFWCVTKPWILK-AQTBWJFISA-N 407.382 3.606 5 40 HHBB O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCCC1 3178033 NMFVUULYDRDXBO-SFTDATJTSA-N 418.941 3.668 5 40 HHBB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5846329 PCKUNCAWWBINPM-UHFFFAOYSA-N 404.835 3.953 5 40 HHBB Cc1ccc(C2=NN(C(=O)COc3cccnc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 5971335 ISXBSKBKCGXKKM-KRWDZBQOSA-N 406.398 3.648 5 40 HHBB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225010753 OTZOBQMGNXSFBI-UHFFFAOYSA-N 403.229 3.712 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 408639048 DYXZZWUTFSMGJE-SNVBAGLBSA-N 424.240 3.902 5 40 HHBB Cc1cccc(C(=O)Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1 1027551 VLPJDQRVAGIHED-UHFFFAOYSA-N 402.362 3.923 5 40 HHBB Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 4072943 OOQCUKDOQLYZIO-UHFFFAOYSA-N 416.437 3.878 5 40 HHBB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9066616 HIAUABFVEFTTRY-UHFFFAOYSA-N 403.394 3.969 5 40 HHBB Cc1cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc2c1cnn2C1CCCC1 12505399 CLAOCIQWWCBDLO-UHFFFAOYSA-N 402.432 3.531 5 40 HHBB O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(OCC(F)(F)F)cc1 32932271 HRMSQJKVAMOGOM-UHFFFAOYSA-N 408.336 3.914 5 40 HHBB O=c1c2ccccc2c2c(O)nc(-c3cccc([N+](=O)[O-])c3)n2n1Cc1ccccc1 102931293 TVCBFSRBIDZFMW-UHFFFAOYSA-N 412.405 3.978 5 40 HHBB O=C1N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 408962956 LKJKFLBYLHUNMV-MLPAPPSSSA-N 408.197 3.700 5 40 HHBB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 3258011 WGBPTZJHBSYIQT-INIZCTEOSA-N 401.806 3.577 5 40 HHBB COc1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 8862297 WFDFHBHPEJUCGY-UHFFFAOYSA-N 422.293 3.597 5 40 HHBB O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCc2ccccc21 9096760 FJMQHWAQMJLPRW-UHFFFAOYSA-N 423.450 3.599 5 40 HHBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9480696 BOASECKZKZGKRO-UHFFFAOYSA-N 422.397 3.725 5 40 HHBB O=C(CCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cccs1 15534163 WBWPFEKVWAESKK-UHFFFAOYSA-N 407.879 3.621 5 40 HHBB Cc1cc(C)c(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 220388399 IRDVJNPWZSELJZ-INIZCTEOSA-N 419.503 3.622 5 40 HHBB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 29820797 RQQUIBXOEKXUOK-QGZVFWFLSA-N 418.421 3.916 5 40 HHBB COc1cccc(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)c1 38829167 PFBLVMDZEUFUPY-UHFFFAOYSA-N 423.472 3.952 5 40 HHBB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 48356456 RADMMNZHISGQJC-UHFFFAOYSA-N 417.893 3.750 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 408726217 KAMKGVJTHKZBBK-RQZCQDPDSA-N 415.427 3.718 5 40 HHBB O=C(c1ccc(Cl)cc1)N1N=C(C(F)(F)F)C[C@]1(O)c1cccc([N+](=O)[O-])c1 728797 OJPCRDFJJGKQLZ-INIZCTEOSA-N 413.739 3.858 5 40 HHBB CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC(C)(C)OC2 751893 SRMBJTGVZJQPLY-UHFFFAOYSA-N 418.471 3.866 5 40 HHBB COc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OC(F)F 3316593 FAQMHPSKHLAFJL-MDWZMJQESA-N 404.325 3.858 5 40 HHBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1C[C@H]1CCCO1 4994513 OEFAKAVHKXYBML-QGZVFWFLSA-N 411.465 3.522 5 40 HHBB Cc1nc(Nc2ccccc2C(=O)O)nc(Nc2ccccc2C(=O)O)c1[N+](=O)[O-] 6177619 UGFNJNZOELWYGK-UHFFFAOYSA-N 409.358 3.577 5 40 HHBB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1C 9255716 ULMYHJLOMMWCTO-UHFFFAOYSA-N 423.425 3.818 5 40 HHBB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187956 IRRAVMSXSPLPFO-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB CNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-] 13633035 TUYUWGOPCDXUKY-UHFFFAOYSA-N 409.273 3.906 5 40 HHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccccc3Cl)n2)cc1 17094119 JNXQKGIPTLLRFC-UHFFFAOYSA-N 424.804 3.800 5 40 HHBB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 21188648 XRABRYUTSHFALA-UHFFFAOYSA-N 405.295 3.630 5 40 HHBB O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728502 JYCMFNQZCISVFU-MFOYZWKCSA-N 408.391 3.938 5 40 HHBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 138587024 VKIRJIZHXLRABL-VJOPYQGCSA-N 417.377 3.952 5 40 HHBB Cc1ccc(-n2nnnc2SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 9120089 XWIMTNPYBSBHGV-UHFFFAOYSA-N 409.431 3.530 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCCO1)C3=O 9185097 ARHBPXGVYLFKOK-OXJNMPFZSA-N 420.421 3.734 5 40 HHBB CCOC(=O)c1c(C)oc2ccc(Oc3nc4ccccn4c(=O)c3[N+](=O)[O-])cc12 26706291 PRJDMJLFNFISBN-UHFFFAOYSA-N 409.354 3.626 5 40 HHBB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 226651872 DWNWFLJGOOEXSQ-GREKMHCPSA-N 403.232 3.615 5 40 HHBB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 714608 AXEIHZWYIQUTAZ-GOSISDBHSA-N 407.348 3.767 5 40 HHBB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(F)c([N+](=O)[O-])c1 2622036 IODHVIRYGDCPEV-UHFFFAOYSA-N 419.463 3.928 5 40 HHBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cnc(C)cn2)c2ccccc2)c([N+](=O)[O-])c1 7536770 RBNKYSYDAJPSFH-LJQANCHMSA-N 406.398 3.538 5 40 HHBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1C 7927445 YGPWNWLAZHLKHR-INIZCTEOSA-N 403.504 3.893 5 40 HHBB O=c1c([N+](=O)[O-])c(N(CCO)Cc2ccccc2)c2ccccc2n1-c1ccccc1 9328455 OLCSUXYCDABGED-UHFFFAOYSA-N 415.449 3.898 5 40 HHBB O=c1c2ccccc2nc2c3ccccc3c(N3CCN(Cc4ccccc4)CC3)nn12 85378490 KGFWADMIPXXLRM-UHFFFAOYSA-N 421.504 3.718 5 40 HHBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 828079 NZCSBODNEOGVSN-UHFFFAOYSA-N 403.398 3.898 5 40 HHBB O=C(NC1CCCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5062416 BBDKHNRTZJXYLJ-UHFFFAOYSA-N 417.487 3.848 5 40 HHBB Cc1ccc(NC(=O)[C@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)cc1[N+](=O)[O-] 8320145 FBKNLIWJMNTHGF-NSHDSACASA-N 408.443 3.842 5 40 HHBB O=c1[nH]c(/C=C/c2cccc(OCc3c(F)cccc3Cl)c2)nc(O)c1[N+](=O)[O-] 9295545 ZGVKGMPHVWLVNR-BQYQJAHWSA-N 417.780 3.926 5 40 HHBB COc1cc(-c2cc(C(=O)O)c3c(-c4ccc([N+](=O)[O-])cc4)[nH]nc3n2)ccc1O 20492198 RKIHDQYHYCAINM-UHFFFAOYSA-N 406.354 3.613 5 40 HHBB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 28430772 OCVPWOGPWKTDCX-UHFFFAOYSA-N 414.461 3.585 5 40 HHBB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1 215022378 XAOOYGVJWPLOQA-LICLKQGHSA-N 400.412 3.849 5 40 HHBB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 219826711 ASURGOSSXDNSPZ-GOSISDBHSA-N 402.447 3.894 5 40 HHBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OC 408554211 CJCMNGROBYFYKJ-UHFFFAOYSA-N 414.199 3.829 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCCC1 408619026 HPJBZVZHQVQHID-UHFFFAOYSA-N 417.487 3.639 5 40 HHBB CC[C@@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1nc([N+](=O)[O-])cc1C 2732283 QAOBZAKQACNWFM-HNNXBMFYSA-N 424.490 3.939 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4084409 HVARLRJSOPTVMY-UHFFFAOYSA-N 417.333 3.535 5 40 HHBB COc1ccccc1C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 4288857 BHNMYXUODAKJOF-UHFFFAOYSA-N 410.879 3.825 5 40 HHBB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 5505022 UFMYVPMWWGHCCZ-QGZVFWFLSA-N 416.821 3.523 5 40 HHBB COc1ccc(Cc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1OC 7342083 FOVAEGOPOODMIX-UHFFFAOYSA-N 415.427 3.561 5 40 HHBB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 8774502 XKZKTHHNPBZLRU-UHFFFAOYSA-N 407.407 3.917 5 40 HHBB O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4cccc([N+](=O)[O-])c4)nn3cc21 13634317 OSVMKACHIKTYRB-ZDUSSCGKSA-N 421.438 3.831 5 40 HHBB CCc1noc(-c2ccc(N3CCN(c4ccccc4OC)CC3)c([N+](=O)[O-])c2)n1 20897995 MIIZFQIUEDEMIE-UHFFFAOYSA-N 409.446 3.542 5 40 HHBB Cc1nc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)oc1-c1ccc(Cl)cc1 79092376 KINOJQPUMKMVDX-UHFFFAOYSA-N 421.862 3.999 5 40 HHBB O=c1[nH]c(/C=C\c2cccc(OCc3c(F)cccc3Cl)c2)nc(O)c1[N+](=O)[O-] 98031141 ZGVKGMPHVWLVNR-FPLPWBNLSA-N 417.780 3.926 5 40 HHBB COc1cc(OC)cc(-c2nc(Sc3ccc([N+](=O)[O-])cc3C(C)=O)n[nH]2)c1 408581604 JLVIXDOMIRBVEL-UHFFFAOYSA-N 400.416 3.751 5 40 HHBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccc(-c3ccc(Br)cc3)o2)nc1O 409334170 VUGVNARFJCBJGQ-VURMDHGXSA-N 404.176 3.989 5 40 HHBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2284796 ICDSVTQPRQZUEU-UHFFFAOYSA-N 413.481 3.801 5 40 HHBB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc([N+](=O)[O-])ccc1N1CCNCC1 4710908 PCQPHAQADBNWDV-UHFFFAOYSA-N 402.454 3.509 5 40 HHBB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc([N+](=O)[O-])cc1Cl 5937734 MBCMTWIFJXEECP-UHFFFAOYSA-N 405.838 3.748 5 40 HHBB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 16384490 ZFRLSTQUWVDMOT-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410881 BARVREFQZDUTSN-UHFFFAOYSA-N 413.474 3.881 5 40 HHBB O=C(O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225012272 BEZGINWUOCEYQJ-UHFFFAOYSA-N 412.423 3.542 5 40 HHBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 3615298 ARKGIXFEAKEBKG-UHFFFAOYSA-N 403.438 3.621 5 40 HHBB COc1ccccc1-c1csc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 4427576 CZPILJSBDZIZQS-UHFFFAOYSA-N 400.372 3.887 5 40 HHBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)ccc1[N+](=O)[O-] 7387898 WQMQNDLPBWEKPV-UHFFFAOYSA-N 424.501 3.850 5 40 HHBB Cc1ccc(NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 9715962 FSOZMFQIFFQYOO-UHFFFAOYSA-N 418.405 3.930 5 40 HHBB CC[C@H](SC1=NCCS1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 11852416 PSDYXYNXZKITJI-NSHDSACASA-N 409.518 3.666 5 40 HHBB Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(F)(F)F 78968454 SMWRDIUCFWJDGN-IAQYHMDHSA-N 416.425 3.846 5 40 HHBB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223035579 GBRFQFSIFFIXIZ-WOJBJXKFSA-N 424.482 3.869 5 40 HHBB C=CC(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])(c2ccccc2)CC1 1594586361 NRSGEJBQESMNGB-QGZVFWFLSA-N 407.470 3.518 5 40 HHBB Cc1cc(=O)oc2c([N+](=O)[O-])c(OC(=O)c3ccc(Br)cc3)ccc12 952611 ISYQGVDCUHSEEM-UHFFFAOYSA-N 404.172 3.991 5 40 HHBB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 3237112 FRINEQRALXNDGK-UHFFFAOYSA-N 418.405 3.930 5 40 HHBB CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 6287875 GUBASWSDVPIXNU-YCRREMRBSA-N 400.866 3.652 5 40 HHBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nn12 57316880 MRVNTCOAZBQJFV-UHFFFAOYSA-N 408.443 3.884 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 100586524 HZKLKUVUWDWUPV-ZUOKHONESA-N 413.503 3.994 5 40 HHBB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cccc([N+](=O)[O-])c1 225819933 SIJQHSWSCDVFFL-UHFFFAOYSA-N 417.219 3.979 5 40 HHBB COCCCn1c(-c2ccc(C)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2338185 IHRPEUJFQAENHU-UHFFFAOYSA-N 406.438 3.523 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCCc1ccccc1 6342258 FBDLDXRBLFEPFS-UHFFFAOYSA-N 419.437 3.585 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 7928445 NYXJJJKQETXXEA-GFCCVEGCSA-N 403.822 3.557 5 40 HHBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 10010263 DGDNJVHQTPYFOY-UHFFFAOYSA-N 424.442 3.584 5 40 HHBB Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(C[C@@H]2CCCO2)c1C 21568002 KNRZVLTUZTZKOB-AWEZNQCLSA-N 424.910 3.971 5 40 HHBB CCOc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)cc1[N+](=O)[O-] 59294070 LTTOMWFVCYZCPJ-UHFFFAOYSA-N 410.455 3.977 5 40 HHBB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 104305686 CGKQBWQMYZSLSM-QINSGFPZSA-N 417.421 3.662 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 408645276 UOLYXNKKEFKENC-SNVBAGLBSA-N 424.240 3.902 5 40 HHBB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 3431956 GBHLYDXZNJBKMH-UHFFFAOYSA-N 415.450 3.971 5 40 HHBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1csc(COc2ccc(F)cc2)n1 12648085 HWYFNAJYSNYLTA-UHFFFAOYSA-N 413.386 3.566 5 40 HHBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1[N+](=O)[O-] 57316858 HHGODKUBWUPVJT-UHFFFAOYSA-N 424.501 3.850 5 40 HHBB CN(CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC(F)(F)F 96013019 FROQUVRMEFFPQN-UHFFFAOYSA-N 402.295 3.619 5 40 HHBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 225014355 WZVIIZYWKAEYHS-UHFFFAOYSA-N 412.851 3.640 5 40 HHBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)CNC(=O)OC(C)(C)C)ccc12 2091869 CLHRBBPEBQDSML-UHFFFAOYSA-N 413.426 3.693 5 40 HHBB biogenic CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 7388110 JQCHZNFZPHUSDZ-UHFFFAOYSA-N 410.474 3.542 5 40 HHBB Cc1sc2ncn3c(SCC(=O)Nc4ccccc4[N+](=O)[O-])nnc3c2c1C 12491034 PGAONPFFKRTKNA-UHFFFAOYSA-N 414.472 3.595 5 40 HHBB Cc1cc(=O)c(C(=O)Nc2cccc3ccccc23)nn1-c1ccccc1[N+](=O)[O-] 21887739 ZYIJJZRYHBXJLR-UHFFFAOYSA-N 400.394 3.855 5 40 HHBB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 24960941 ZLRBBGMJDYWNHG-MRXNPFEDSA-N 417.849 3.809 5 40 HHBB Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)n2)cc1 26599484 KSGAEXZMTZETIA-KRWDZBQOSA-N 407.474 3.832 5 40 HHBB CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 58452245 RXCMFFPVYYZAAL-CQSZACIVSA-N 424.400 3.867 5 40 HHBB O=C(c1ccc(Cl)cc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 724208 AOMLVVHLVWGPIO-MRXNPFEDSA-N 413.739 3.858 5 40 HHBB Cc1ccc(Cl)cc1N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 57435506 VYNLWDUKXRZBBB-UHFFFAOYSA-N 403.866 3.745 5 40 HHBB O=C1N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F 409072008 RFJOUTPKTADDPE-XDHOZWIPSA-N 406.373 3.618 5 40 HHBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2437139 SXCGGYRZBQGMQI-UHFFFAOYSA-N 417.444 3.849 5 40 HHBB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7909511 PDGNXVVBDHSKNB-UHFFFAOYSA-N 408.483 3.989 5 40 HHBB COc1ccccc1NC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 79059081 RONXYTXEPIDIQF-UHFFFAOYSA-N 409.446 3.730 5 40 HHBB CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OC 818011 XQTPDBUCQCMDBJ-DHDCSXOGSA-N 410.382 3.572 5 40 HHBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(N2CCCCC2)cc1 5406336 MSTCYXQMLGWCGD-MDWZMJQESA-N 409.442 3.780 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1 12361393 VTGXYMRGWNBFJP-LJQANCHMSA-N 417.874 3.844 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20061884 MUFYNZBZXAPEBJ-UHFFFAOYSA-N 423.878 3.593 5 40 HHBB Cc1cc(C)cc(Oc2cc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cc([N+](=O)[O-])c2)c1 103155528 TVGGSYRIBDYTRP-UAFMIMERSA-N 408.410 3.671 5 40 HHBB O=c1nc2c3ccc(F)cc3nc(CN3CCCCCC3)n2nc1-c1ccccc1 585157971 YJDRUSRJTJYDPA-UHFFFAOYSA-N 403.461 3.820 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC 1416677 FUKURERJIQGMLQ-LICLKQGHSA-N 400.412 3.849 5 40 HHBB Cc1ccc(Sc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 2809533 HTKORJTXUQQZNO-QGFMHUBQSA-N 410.451 3.721 5 40 HHBB CCOc1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 3158274 ZQXCKYYQBGTWKI-UHFFFAOYSA-N 407.338 3.856 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11620779 YPDAIRKHDBGIAQ-UHFFFAOYSA-N 404.854 3.908 5 40 HHBB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 12249270 UTZYUDDSKBYVJX-UHFFFAOYSA-N 404.835 3.953 5 40 HHBB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccc([N+](=O)[O-])cc1 2646982 HFWNVCGRNAJZBG-UHFFFAOYSA-N 406.394 3.860 5 40 HHBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2[N+](=O)[O-])C1 6830397 HKQLCCIMZCZKMP-KRWDZBQOSA-N 424.501 3.920 5 40 HHBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCCCC1 9295459 RJZODDNBQVDMQZ-CSKARUKUSA-N 415.446 3.852 5 40 HHBB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 9713905 LRBOEFXFGGSNDU-NSHDSACASA-N 418.866 3.652 5 40 HHBB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 226338861 AOZWESRTJHZKDY-QPJJXVBHSA-N 402.794 3.971 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)n1C 787030 DOOVBUQIDSTVSI-LBPRGKRZSA-N 413.459 3.524 5 40 HHBB CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)sc(C(C)=O)c1C 2609912 DTVTZASAWVPWEH-UHFFFAOYSA-N 420.443 3.670 5 40 HHBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 6362296 BBSYDNSSZBOLCM-UHFFFAOYSA-N 411.439 3.577 5 40 HHBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(-c2ccccc2)cc1 15322676 ZSGLNWQZXOFQSN-UHFFFAOYSA-N 406.442 3.717 5 40 HHBB CC[C@@H](c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1)n1cc([N+](=O)[O-])cn1 17087900 VUTRZBKQBKTVLA-LBPRGKRZSA-N 408.447 3.608 5 40 HHBB CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 19159549 FBFVFOJPRQIWBS-LBPRGKRZSA-N 412.398 3.912 5 40 HHBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 24869362 LGLGXCDFPZNMSW-HOTGVXAUSA-N 413.499 3.953 5 40 HHBB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)N(C)[C@@H]1c1ccc(F)cc1F 32905327 OHBISOSSZHMNOH-GOSISDBHSA-N 417.368 3.933 5 40 HHBB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 225091508 HPRXUBSZMOEIBJ-UHFFFAOYSA-N 406.460 3.604 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2[C@@H]1c1ccccc1F 4853879 AAKYQXKGOBMLSD-FQEVSTJZSA-N 415.446 3.638 5 40 HHBB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 12999114 GNCIACOIAVBLCJ-UHFFFAOYSA-N 418.247 3.636 5 40 HHBB CCCc1cc(=O)oc2cc(OS(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc12 79108320 OTHKUTZLCKVTSA-UHFFFAOYSA-N 403.412 3.563 5 40 HHBB O=[N+]([O-])c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c(C(F)(F)F)c1 59949843 KJFSAFPNLFBMOA-UHFFFAOYSA-N 405.380 3.584 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1c(C)cccc1C)S(C)(=O)=O 222371866 GTVMSSSLXIOOMW-UHFFFAOYSA-N 419.503 3.705 5 40 HHBB CC(C)(C)NC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 3056138 NBMHZWSYYXJVJK-ATVHPVEESA-N 401.850 3.934 5 40 HHBB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13991525 XMFBLQUXBLBQKB-UHFFFAOYSA-N 420.381 3.685 5 40 HHBB Cc1c(CSc2nnc(-c3ccccc3Br)n2N)cccc1[N+](=O)[O-] 40122973 RZUVBOWAVDXOCB-UHFFFAOYSA-N 420.292 3.930 5 40 HHBB O=C(NCCC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc([N+](=O)[O-])cc1 3340549 FDDHZFMIIXBADM-UHFFFAOYSA-N 413.455 3.598 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 6659647 FEMWQPHNNIYTOK-UHFFFAOYSA-N 406.442 3.750 5 40 HHBB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)s2)c([N+](=O)[O-])c1 4744649 VDPQSDYLNVYUEE-UHFFFAOYSA-N 401.473 3.856 5 40 HHBB CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 5217360 KTDJMSSRPGHCRF-UHFFFAOYSA-N 416.438 3.564 5 40 HHBB Cc1cc2ncn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])c2cc1C 5899735 YKXDHPAEKAFKLT-UHFFFAOYSA-N 414.487 3.725 5 40 HHBB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 9707756 WGTILDMGELVYOQ-UHFFFAOYSA-N 417.468 3.764 5 40 HHBB COc1cc(N[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cc(OC)c1 83920151 LXPAKROAXNCAJQ-CYBMUJFWSA-N 419.865 3.982 5 40 HHBB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 222649647 QVZQQMKIKMUKGH-YXKWSERDSA-N 414.487 3.986 5 40 HHBB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223026880 CFHSWVADRSDDDX-WOJBJXKFSA-N 424.482 3.869 5 40 HHBB COc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl 224730701 XNYWQYVCZKGHIE-UHFFFAOYSA-N 421.656 3.820 5 40 HHBB O=C(Cn1ccs/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 409195418 IQKKBAOOAHHCMH-ZZEZOPTASA-N 401.831 3.735 5 40 HHBB O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 1050527 KBCRVGSHHHFSQU-UHFFFAOYSA-N 403.605 3.820 5 40 HHBB O=C(Cc1cccc(F)c1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3424606 PLBKYPUHKWCVLN-UHFFFAOYSA-N 414.414 3.748 5 40 HHBB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 4309137 CGKQBWQMYZSLSM-NTCAYCPXSA-N 417.421 3.662 5 40 HHBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)cc2)cs1 7641982 UFVGWGVBTSCFNS-UHFFFAOYSA-N 414.418 3.616 5 40 HHBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 17088395 BOZUOOCQQBLLCS-UHFFFAOYSA-N 410.257 3.873 5 40 HHBB COc1ccc(/C=C2\SC(=O)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 106692777 MWMFMSAHRVOYJJ-CHHVJCJISA-N 417.355 3.628 5 40 HHBB Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cccc1[N+](=O)[O-] 408585521 ZBJPTLISLXQWBH-UHFFFAOYSA-N 419.503 3.551 5 40 HHBB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409133963 ODHWSNDMOMHDNA-LDADJPATSA-N 414.439 3.857 5 40 HHBB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O 409216885 PKXYVBFWWJIMGT-MHWRWJLKSA-N 404.400 3.546 5 40 HHBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] 2647428 AVOWPVYXANDGHT-UHFFFAOYSA-N 409.349 3.544 5 40 HHBB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 6944759 FZLVLGPLDQVULY-UHFFFAOYSA-N 404.247 3.687 5 40 HHBB CC1CCN(c2ccc(C(=O)NCCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])CC1 8163768 QAGFDURMHPSPHZ-UHFFFAOYSA-N 411.458 3.532 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)o1 12462457 JSWDFTRDLPNICR-YBFXNURJSA-N 403.419 3.934 5 40 HHBB COP(=O)(OC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccccc1 16753666 PMTGMUDCEYJTRG-UHFFFAOYSA-N 417.358 3.897 5 40 HHBB O=C(CCc1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 40094041 XFFBMTKQRSWSKO-UHFFFAOYSA-N 409.273 3.578 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2F)c1C 40130834 QDYGADONVZFRKH-UHFFFAOYSA-N 416.384 3.865 5 40 HHBB CC(=O)Nc1nc(COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)cs1 96003407 WMIOXWFRQYSNNY-UHFFFAOYSA-N 423.248 3.899 5 40 HHBB C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 6462521 ZJWFHJOUCVZRKQ-INIZCTEOSA-N 419.437 3.931 5 40 HHBB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9283948 UDKOQZRGUGXJOU-LLVKDONJSA-N 416.415 3.507 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 19928169 KXOFJUUQGCBWEH-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB O=C(Nc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1)c1cccs1 27213843 ILYHRLYGTHGXEV-INIZCTEOSA-N 414.439 3.727 5 40 HHBB Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3C(C)C)c(=O)n2c1 100630666 WGJKMGKBCYGLKW-MRXNPFEDSA-N 415.497 3.509 5 40 HHBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220543441 MRDWTVMQMOORKU-GOSISDBHSA-N 419.503 3.703 5 40 HHBB COc1ccc(Cc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1OC 408636554 AFDJALRWHQIURZ-UHFFFAOYSA-N 418.387 3.645 5 40 HHBB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 24395834 NYJHRFMCTJJPDK-UHFFFAOYSA-N 407.474 3.690 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(Cc2ccsc2)CC1 32888473 XYLQFEKHQREOJM-UHFFFAOYSA-N 417.534 3.561 5 40 HHBB CCOC(=O)Cn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2c(C)cc(C)cc21 100910516 SPMDABIUIKUVAQ-MRCUWXFGSA-N 413.455 3.532 5 40 HHBB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccc([N+](=O)[O-])c1 409135151 VAIYYTHENSJQOU-CZUORRHYSA-N 403.508 3.660 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1 409357723 QYWFDGGACMWETI-GIJQJNRQSA-N 407.407 3.995 5 40 HHBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccccc1-c1ccccc1 2622458 OCMVZWAXQFMQTH-UHFFFAOYSA-N 400.394 3.610 5 40 HHBB Cc1nn(CC(=O)N(CCc2ccccc2)CCc2ccccc2)c(C)c1[N+](=O)[O-] 3443457 LPDZTXOGAGYYKN-UHFFFAOYSA-N 406.486 3.722 5 40 HHBB Cc1ccc(-c2cc(-c3nnc4n3N=C(c3ccc([N+](=O)[O-])cc3)CS4)[nH]n2)cc1 70503682 BTCCMWJTKUVNQH-UHFFFAOYSA-N 417.454 3.910 5 40 HHBB Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(SCCC(=O)O)c1 95941737 GVZJYPSDMPBXRD-UHFFFAOYSA-N 410.473 3.579 5 40 HHBB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2251762 LFEPLMKZOTYFFP-HOCLYGCPSA-N 403.460 3.585 5 40 HHBB COc1ccc(-c2nc(NC(=O)c3ccccc3C(=O)O)sc2C)cc1[N+](=O)[O-] 3664036 LTUBGGKPJKRTNX-UHFFFAOYSA-N 413.411 3.986 5 40 HHBB O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1CCO 6222173 FZMUXMGDXNHBLH-UHFFFAOYSA-N 411.801 3.733 5 40 HHBB COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 8170054 DVTOVLOUTGUIJS-HNNXBMFYSA-N 413.474 3.706 5 40 HHBB COC(=O)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1 24982579 MILMMNVPVAAVEZ-KRWDZBQOSA-N 420.490 3.637 5 40 HHBB CCOc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c([N+](=O)[O-])cc1OC 26782702 RHDKJLXWHHWMEQ-UHFFFAOYSA-N 410.810 3.925 5 40 HHBB Cc1cc(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)n1Cc1ccccc1 32332002 VWMJQYCLVPXGCG-UHFFFAOYSA-N 405.410 3.852 5 40 HHBB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 36700310 PNMABNIAOWCVGY-GFCCVEGCSA-N 418.247 3.657 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](c2ccc(Cl)cc2)C1 40154733 UOQPJBPLULYTRM-IBGZPJMESA-N 419.865 3.659 5 40 HHBB COc1ccccc1C[C@H](C)N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 78903527 GWPUXLYXFSYWRW-HNNXBMFYSA-N 408.458 3.635 5 40 HHBB Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cccc1[N+](=O)[O-] 219999080 FPYIAORVIJKMEC-UHFFFAOYSA-N 417.487 3.576 5 40 HHBB O=C(NCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 811374 SPHWVHLYDVBGBT-QNGOZBTKSA-N 401.422 3.682 5 40 HHBB COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(OC)c1OC 994313 FYWCGCGJGDUSMZ-JYRVWZFOSA-N 418.789 3.619 5 40 HHBB CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 3170474 RUXCRGHFNZJKEE-UHFFFAOYSA-N 405.838 3.748 5 40 HHBB Cc1ccc(C2=NN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)[C@@H](c3ccco3)C2)cc1 4548899 RPHYMJOEHFABMZ-GOSISDBHSA-N 407.430 3.687 5 40 HHBB Cc1ccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc2c1C 4585341 WVJMDUNOBDCCIW-UHFFFAOYSA-N 402.501 3.845 5 40 HHBB O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1[N+](=O)[O-] 27563656 GNWGFJDJLFDLCY-UHFFFAOYSA-N 416.389 3.653 5 40 HHBB Cc1ccc([C@](O)(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(F)(F)F)o1 30597595 XRFVYMAAEXOIOA-OAHLLOKOSA-N 406.744 3.720 5 40 HHBB Cc1nc(N2CCN(c3ccccc3)CC2)nc(NCc2ccccc2)c1[N+](=O)[O-] 38488507 AWWNZDUPTWWSFO-UHFFFAOYSA-N 404.474 3.632 5 40 HHBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)o1 409195951 XCXVHQLYZUFFOB-NVNXTCNLSA-N 402.388 3.508 5 40 HHBB Cn1cnnc1Sc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] 2647999 VDDYECMDJXRHHF-MRXNPFEDSA-N 409.471 3.682 5 40 HHBB CCN(CC)S(=O)(=O)c1ccc2oc(Nc3ccc([N+](=O)[O-])cc3C)nc2c1 7778854 YRQRXLNUAURHFW-UHFFFAOYSA-N 404.448 3.819 5 40 HHBB O=C(O)c1cccc2cccc(C(=O)Nc3nnc(-c4cccc([N+](=O)[O-])c4)o3)c12 20496160 ZQEVIZCEJXKIFS-UHFFFAOYSA-N 404.338 3.749 5 40 HHBB COc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1[N+](=O)[O-] 46069184 GJBDFHBQWAZURS-STQMWFEESA-N 403.410 3.608 5 40 HHBB CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 248382036 VSFJRMLOGUIBII-RDGPPVDQSA-N 414.259 3.540 5 40 HHBB CC1(C)C[C@H](N)C[C@](C)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 4284109 RXZUTZHCCRCZKR-ZBEGNZNMSA-N 423.457 3.844 5 40 HHBB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1O 5604743 GDGULFYXNBYCAW-LIKPIUCQSA-N 412.401 3.697 5 40 HHBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(SC(F)F)cc1 12521548 XGZUURRNGOGHQF-UHFFFAOYSA-N 422.457 3.670 5 40 HHBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(CCOc2ccccc2)CC1 15765142 XQUXCLBSPJJNHM-UHFFFAOYSA-N 411.483 3.646 5 40 HHBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 15974482 VIOQMHFXBBUGIL-IBGZPJMESA-N 404.430 3.731 5 40 HHBB COc1ccccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)o1 19927423 YXGGAGYVCLZXBC-UHFFFAOYSA-N 401.400 3.540 5 40 HHBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 138587398 VKIRJIZHXLRABL-ZXTYOHMPSA-N 417.377 3.952 5 40 HHBB Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SC(=N)N2 6483950 RVAHGYUSMDBODJ-INIZCTEOSA-N 409.427 3.677 5 40 HHBB CCC(=O)N1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 6709312 LOGLZQMKNULMBJ-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB CCNc1ccc(C(=O)N(C)CCOc2ccc(Br)cc2)cc1[N+](=O)[O-] 16046313 MFVCISMNINRITA-UHFFFAOYSA-N 422.279 3.940 5 40 HHBB O=C(Nc1ccccc1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 32841776 PVZICUMTGOZUPK-UHFFFAOYSA-N 410.455 3.799 5 40 HHBB Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1[N+](=O)[O-] 223581709 MBLFXUKLFFVJKJ-UHFFFAOYSA-N 416.459 3.555 5 40 HHBB CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4602078 IZANDHWUALMSLQ-INIZCTEOSA-N 406.822 3.983 5 40 HHBB COC(=O)c1cn(N(C)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c2ccccc12 12949801 DEQDBORWXMQMIA-UHFFFAOYSA-N 421.331 3.615 5 40 HHBB CCOC(=O)c1cc(Cl)c(OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c(Cl)c1 12985560 JKGVLZFYZJRQKB-UHFFFAOYSA-N 413.213 3.756 5 40 HHBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 25268631 MNYWGNFHJFLMRR-UHFFFAOYSA-N 422.416 3.828 5 40 HHBB Cc1ccc(OCc2nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=S)o2)cc1 409158947 MCUQBZNWTRZAQZ-UHFFFAOYSA-N 414.443 3.948 5 40 HHBB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 862092 LZDNFWUWBZUNJF-UHFFFAOYSA-N 423.498 3.945 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)C3=O 9209875 PIAHEMXTGXBBPT-OXQOHEQNSA-N 420.421 3.734 5 40 HHBB C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2ccnc2)cc1 12629657 DFPSNWTZHSUVHN-KRWDZBQOSA-N 419.485 3.874 5 40 HHBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 14412727 OURYJEUSSORWNL-UHFFFAOYSA-N 417.487 3.720 5 40 HHBB Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 17089883 BUNLRJRPVKBPEU-UHFFFAOYSA-N 414.487 3.726 5 40 HHBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 32114716 OTPNLMCHBZIXSU-UHFFFAOYSA-N 420.878 3.970 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]2C1=O 103561290 JVJIELLRMWCJEJ-GOEBONIOSA-N 420.208 3.503 5 40 HHBB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 226353865 OFONBNSSJCSHRI-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB O=[N+]([O-])c1cc(Cl)ccc1NCCCNS(=O)(=O)c1ccc(Cl)cc1 4413413 OIEZRABEOCPMGQ-UHFFFAOYSA-N 404.275 3.682 5 40 HHBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 6597501 AVPYIURSIKLIKL-UHFFFAOYSA-N 402.362 3.752 5 40 HHBB COc1ccc(-c2nc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cs2)cc1 32724223 SHUVDUBYESJGED-UHFFFAOYSA-N 414.395 3.813 5 40 HHBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 408665270 LCIACPVEVHWECO-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 5184703 NRSXNTPPOCOIFI-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cccc1[N+](=O)[O-] 225708895 OCWKGZGYSGUMQC-UHFFFAOYSA-N 407.473 3.661 5 40 HHBB COc1cc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)cc1[N+](=O)[O-] 4581342 LJODLXRIWBRXCZ-UHFFFAOYSA-N 404.444 3.648 5 40 HHBB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9707685 AZOZTQADEJRNPR-UHFFFAOYSA-N 417.468 3.764 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1Cl 12806655 OMJGLMDEGLJLTP-HNNXBMFYSA-N 424.862 3.545 5 40 HHBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 17091686 PMAGKNSCJYVBAG-UHFFFAOYSA-N 418.881 3.651 5 40 HHBB CC(C)(C)OC(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829235 CJORYQNCNVMPIS-UHFFFAOYSA-N 420.344 3.579 5 40 HHBB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2csc([N+](=O)[O-])c2)c1C 40140899 CCWHNPHLKIUZFO-MRXNPFEDSA-N 417.487 3.533 5 40 HHBB Cc1ccc(Sc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 103155183 HTKORJTXUQQZNO-MKXGPGLRSA-N 410.451 3.721 5 40 HHBB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 104699537 OTUOGCZIDDQDDM-LFIBNONCSA-N 408.414 3.946 5 40 HHBB CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccccc1 409197598 JWNGAEORCCHNQD-VXPUYCOJSA-N 412.427 3.874 5 40 HHBB COc1ccc(-c2nnc(Sc3ncccc3[N+](=O)[O-])n2C[C@@H]2CCCO2)cc1 7186337 KGDHQRPGXMTIGR-HNNXBMFYSA-N 413.459 3.587 5 40 HHBB COc1cc(OC)cc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 9591294 IAVJDTNEMUJWMO-UHFFFAOYSA-N 404.360 3.721 5 40 HHBB C[C@H]1CN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C[C@@H](C)O1 14121659 WAMBUZJONDQFNZ-PHIMTYICSA-N 410.883 3.566 5 40 HHBB CNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1 16711567 ILOGGTAYVKGEFJ-UYRXBGFRSA-N 405.410 3.680 5 40 HHBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc(-c3cccs3)nn12 16733922 AJLKUUKDCYYSRT-MHWRWJLKSA-N 422.447 3.595 5 40 HHBB C[N+](C)(C)CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 38528748 BBEFGWXHNDOXLR-JOCHJYFZSA-O 411.522 3.855 5 40 HHBB O=C(Nc1ccc(I)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 40157093 NPVYGCOYMAYNLY-UHFFFAOYSA-N 407.167 3.933 5 40 HHBB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 5544412 IGTVEUKVEWXCRB-NFJKTXFASA-N 410.429 3.780 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 10188114 HNZQKUDLLXOYJZ-UHFFFAOYSA-N 418.384 3.744 5 40 HHBB COCCNc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 7814243 MULGBBABMVOZHC-XSXQVXRUSA-N 401.507 3.988 5 40 HHBB COCCn1/c(=N/C(=O)CCSc2ccccc2)sc2cc([N+](=O)[O-])ccc21 100873759 XYSUKQDAMVXMQK-VXPUYCOJSA-N 417.512 3.867 5 40 HHBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccccc1 106710999 YGILWKUOBJWPDR-DHDCSXOGSA-N 417.830 3.923 5 40 HHBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 205671220 ISOMGHRCRQBQOJ-CXUHLZMHSA-N 416.411 3.763 5 40 HHBB COc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)cc1OC 408534305 UZQJUAHWIMIFCM-UHFFFAOYSA-N 415.789 3.942 5 40 HHBB COc1ccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 2468338 DOJILYGNHVFYRU-UHFFFAOYSA-N 414.443 3.529 5 40 HHBB Cc1c(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cccc1[N+](=O)[O-] 3482148 WESUPZUWJSTCRX-UHFFFAOYSA-N 405.410 3.736 5 40 HHBB Cn1ccnc1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12551027 MXMYFOGWMCLJGT-KRWDZBQOSA-N 420.878 3.587 5 40 HHBB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1Cl 89780752 YGKBSMJWUZBRKZ-UHFFFAOYSA-N 423.878 3.675 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 408648361 XXVPJVPSMVYKPK-SNVBAGLBSA-N 424.240 3.902 5 40 HHBB Cc1cc(Cl)ccc1OCCCc1nnc(SCn2cc([N+](=O)[O-])cn2)n1C 17093338 CEUQTMDKSCQUEI-UHFFFAOYSA-N 422.898 3.643 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1C 216031819 HKFQXOIJDVRTRD-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB C[C@@H]1CC[C@H](C(F)(F)F)CN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 611541274 LMBDVIFQSZEUHE-MNOVXSKESA-N 416.787 3.961 5 40 HHBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 4121281 RWPTXYGGUWEMMS-UHFFFAOYSA-N 410.474 3.604 5 40 HHBB COc1cc(C(=O)OCC(=O)c2cc(C)c(C)c(C)c2C)c([N+](=O)[O-])cc1OC 5245963 MXUBQCLJJBYVPM-UHFFFAOYSA-N 401.415 3.885 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 9569541 FXOJUNYZTFXBDV-UHFFFAOYSA-N 423.903 3.893 5 40 HHBB COc1ccc(C2=NC(=O)[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)S2)cc1 9633172 AWXPDAJPFHRIHK-HNNXBMFYSA-N 419.846 3.674 5 40 HHBB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c2ccccc12 226862653 MPZGGPLJQWJVFN-UHFFFAOYSA-N 404.375 3.613 5 40 HHBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)o1 979425 YKCAQFZHQZDHEN-YBFXNURJSA-N 419.418 3.634 5 40 HHBB CC1=C(C)CS(=Nc2ccc([N+](=O)[O-])cc2)N(S(=O)(=O)c2ccccc2)C1 4071149 UTJXCLFHSCCBMO-UHFFFAOYSA-N 405.501 3.984 5 40 HHBB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16449450 MMLFQXGIPDMMKA-UHFFFAOYSA-N 414.321 3.649 5 40 HHBB O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1ccnn1Cc1ccc(Cl)cc1 32818905 ONXXZYXWRSBPRR-UHFFFAOYSA-N 400.822 3.901 5 40 HHBB CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1 58450140 BSFKSPMFIITGFW-UHFFFAOYSA-N 421.482 3.538 5 40 HHBB O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl 72096799 GQGIQLOWLJHGAR-HNNXBMFYSA-N 409.826 3.541 5 40 HHBB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cccc1[N+](=O)[O-] 103718762 BUDOKRKAVLOGPU-GFCCVEGCSA-N 407.348 3.914 5 40 HHBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225016989 WPAQSTCOAVBEQS-QZTJIDSGSA-N 411.502 3.778 5 40 HHBB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl 225092097 XZUIEHSBIGDJRZ-UHFFFAOYSA-N 412.851 3.558 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1cccc(Cl)c1 408706168 WPHVEVVZSRPBOL-UHFFFAOYSA-N 400.909 3.768 5 40 HHBB CCOc1ccc2nc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)sc2c1 4583430 YBSUFUJQTLPRPG-UHFFFAOYSA-N 412.471 3.566 5 40 HHBB COC(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc([N+](=O)[O-])c1 5559039 XGJONQRNSWVJJR-UHFFFAOYSA-N 413.411 3.766 5 40 HHBB CCOc1cc2c(cc1NC(=O)COc1c(C)cc(C)cc1[N+](=O)[O-])O[C@@H](C)C2 12975771 RMJDDWHOLCYGOA-AWEZNQCLSA-N 400.431 3.951 5 40 HHBB CCCCCn1c(O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(=O)c2ccccc21 18122009 BAMYZLUNJQEZDC-UHFFFAOYSA-N 411.414 3.763 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 408640915 KJNCWLGXFFOFSP-LBPRGKRZSA-N 403.822 3.557 5 40 HHBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3253914 BPVWYRAONRMLEC-UHFFFAOYSA-N 421.450 3.551 5 40 HHBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NC(C)C)nc2c31 6624622 VISGIDBAEITLFY-UHFFFAOYSA-N 415.449 3.747 5 40 HHBB biogenic COc1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1[N+](=O)[O-] 10680652 OQDKURCLKUFISO-UHFFFAOYSA-N 404.488 3.637 5 40 HHBB C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2ccnc2)cc1 12629654 DFPSNWTZHSUVHN-QGZVFWFLSA-N 419.485 3.874 5 40 HHBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(C(=O)O)c1O 20142844 PUWMBIMZFHETGL-UHFFFAOYSA-N 413.430 3.796 5 40 HHBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408685650 PQUNIMCZYHTBBV-CDHQVMDDSA-N 421.453 3.573 5 40 HHBB O=[N+]([O-])c1cc(OC(F)(F)F)cc(Br)c1I 575693223 YIQNFLUWRVNIRS-UHFFFAOYSA-N 411.899 3.861 5 40 HHBB COc1cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c([N+](=O)[O-])cc1OC 12922527 WNHPCVVAXAUHOG-GFCCVEGCSA-N 420.491 3.553 5 40 HHBB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1[N+](=O)[O-] 20611552 XNJYIPHXZSFXKK-UHFFFAOYSA-N 420.263 3.755 5 40 HHBB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 40148921 ZTYYUJBFPPGHMU-LLVKDONJSA-N 423.256 3.788 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408686153 SCPPVUITDRHANX-WMZOPIPTSA-N 405.410 3.693 5 40 HHBB Cc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 13957827 AQFIMAIGGWNJAM-UHFFFAOYSA-N 416.459 3.553 5 40 HHBB CSc1cccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 25834365 PCFHOVJXRAVZLH-GOEBONIOSA-N 413.499 3.889 5 40 HHBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225460995 LIQXFFGTSUMQTF-FXAWDEMLSA-N 411.502 3.859 5 40 HHBB COC(=O)c1cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc([N+](=O)[O-])c1 3242511 DPLYTHXRSMPYEM-UHFFFAOYSA-N 409.423 3.856 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 20063202 UXFWWCWJUHDGGC-UHFFFAOYSA-N 423.450 3.718 5 40 HHBB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 57869738 KKQZFYVTJTUPPS-UHFFFAOYSA-N 409.273 3.662 5 40 HHBB O=C(NCCSCc1c(F)cccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409028837 RHQXOSUHHBYHAR-UHFFFAOYSA-N 413.814 3.959 5 40 HHBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1[N+](=O)[O-] 12619435 BQFKLOPDURKNCZ-YVLHZVERSA-N 421.438 3.595 5 40 HHBB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 15604036 SXZHXRIQZBFSEL-ZGBFETHSSA-N 410.426 3.847 5 40 HHBB O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 15882004 IMIZBQKBMHJADW-OAHLLOKOSA-N 422.509 3.663 5 40 HHBB CC[C@H](C(=O)Nc1ccccc1SC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222524178 SFBVUISCIISBED-MRXNPFEDSA-N 423.516 3.500 5 40 HHBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2298313 QTASZTTYBGXBLL-UHFFFAOYSA-N 419.872 3.892 5 40 HHBB CC(C)(C)c1noc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 12522030 YNQPOLYAMXWXLF-UHFFFAOYSA-N 413.400 3.616 5 40 HHBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225213575 MROWJVYVJRYFDT-HOTGVXAUSA-N 415.465 3.608 5 40 HHBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2c(F)cccc2Cl)NC(=O)N1 5517368 NZJWFJAFIDRKEU-MRXNPFEDSA-N 404.785 3.654 5 40 HHBB CCOC(=O)c1c(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc2c1CCCC2 6327511 GGVGDUVWOVWHLE-UHFFFAOYSA-N 400.412 3.512 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8915435 CBMLQAJRCKXPHJ-LJQANCHMSA-N 404.850 3.835 5 40 HHBB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 13960333 UOTQFAQAAWCIGH-MHORFTMASA-N 414.801 3.707 5 40 HHBB CCN(CC)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 32817096 RAGHBVLSMBMXRP-UHFFFAOYSA-N 405.838 3.748 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 137934506 NHKZQPFXZRNZHB-FHWLQOOXSA-N 421.434 3.707 5 40 HHBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@](CO)(c2ccccc2)C1 513917241 TYXCDVPTNLLAHL-SANMLTNESA-N 412.489 3.848 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1-n1c(C)nc2ccc(I)cc2c1=O 997144 DBHLUOUQWBLPRX-UHFFFAOYSA-N 421.194 3.515 5 40 HHBB O=C(NC1CCCCC1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 11692080 IITGTVMXVDBXQP-UHFFFAOYSA-N 411.465 3.940 5 40 HHBB COc1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 12777682 PFNGIJPAZPHDFX-AWEZNQCLSA-N 410.430 3.806 5 40 HHBB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 17089743 KPYWNKYTGAUNTN-UHFFFAOYSA-N 414.226 3.727 5 40 HHBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 222649322 UJEHBRXHYJFQQI-ZUSMLRIVSA-N 414.487 3.986 5 40 HHBB COc1cc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)ccc1[N+](=O)[O-] 511071072 ZBXSFJJTUPVGKJ-UHFFFAOYSA-N 405.454 3.715 5 40 HHBB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Cn1cc([N+](=O)[O-])cn1 2796419 WUICSDDYUOKJNW-UHFFFAOYSA-N 406.320 3.991 5 40 HHBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 7387892 QDZBOWGWKCOTIU-UHFFFAOYSA-N 410.474 3.542 5 40 HHBB COc1ccc(C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)cc1[N+](=O)[O-] 12902219 RBLISOXFFLBMRG-UHFFFAOYSA-N 410.455 3.963 5 40 HHBB COc1ccc(OC)c([C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2cnn(C)c2)c1 58378406 JYIKLHLITZFABB-CQSZACIVSA-N 410.430 3.754 5 40 HHBB COc1ccccc1N(C(C)=O)c1nc(COc2cccnc2[N+](=O)[O-])cs1 7545402 ZMSBVSTVSHSYKN-UHFFFAOYSA-N 400.416 3.719 5 40 HHBB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 12763199 CCZKLIOOLDBGIE-KRWDZBQOSA-N 417.874 3.784 5 40 HHBB CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC)c3)CC2)cc1 13632954 CLBWEBDMJGAVOI-UHFFFAOYSA-N 412.490 3.778 5 40 HHBB Cc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1[N+](=O)[O-] 32930125 YWZVHVATIIIOFX-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 59488983 LMZNDVKDOUYAPK-SFHVURJKSA-N 407.348 3.767 5 40 HHBB COc1cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC(F)F 96014045 UFKAZAIEAXAOGJ-KRWDZBQOSA-N 414.405 3.626 5 40 HHBB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1 408662572 KDHWFNUELFTUSE-UHFFFAOYSA-N 421.409 3.649 5 40 HHBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1C 409355070 BKJKNPLQBFUOFN-VCHYOVAHSA-N 412.423 3.831 5 40 HHBB CC(C)(C)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1 526052280 PLWRZTMEOAVUFK-SFHVURJKSA-N 410.430 3.927 5 40 HHBB COC(=O)c1c([N+](=O)[O-])c(OC)c(C)c(Sc2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 2382214966 FZDNJZACIHGFGE-UHFFFAOYSA-N 423.359 3.666 5 40 HHBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)CCNC(=O)OC(C)(C)C)ccc12 2096463 YWUPIIKBXHYEFW-UHFFFAOYSA-N 413.426 3.775 5 40 HHBB biogenic CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 17088166 OAUAUVVDUVAHOP-UHFFFAOYSA-N 409.273 3.906 5 40 HHBB Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)s2)c1 17135513 CFRCDCYUPPCFRX-UHFFFAOYSA-N 424.482 3.633 5 40 HHBB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20663575 RTWQKIZXHKSFAD-GFCCVEGCSA-N 405.252 3.607 5 40 HHBB COc1cc(C(=O)NCC2(c3ccccc3)CCCC2)c([N+](=O)[O-])c(OC)c1OC 22839180 QYKOBDQTODDGKE-UHFFFAOYSA-N 414.458 3.862 5 40 HHBB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3302564 SHOGLEANBMTSOK-UHFFFAOYSA-N 409.398 3.621 5 40 HHBB COc1cc(OC)c(C2=CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 12769224 ROSOZXHKCLPKMP-BQYQJAHWSA-N 424.453 3.950 5 40 HHBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccccc1OC(F)(F)F 29965754 BVNXOVLRVUCEIE-UHFFFAOYSA-N 410.757 3.625 5 40 HHBB CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 409191875 PIEIVCHXJXIUOB-MDWZMJQESA-N 407.304 3.928 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 5455795 NGDNSQTZTXGYCE-UHFFFAOYSA-N 417.487 3.639 5 40 HHBB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16515680 BRVCBGPWOHWNIG-AWEZNQCLSA-N 422.407 3.763 5 40 HHBB COc1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)c([N+](=O)[O-])cc1OC(F)F 36037937 ROOQYCINMALBHF-UHFFFAOYSA-N 422.388 3.842 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O 103561300 JVJIELLRMWCJEJ-GDBMZVCRSA-N 420.208 3.503 5 40 HHBB CCSc1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220422611 QRVRXNAQPJBJIJ-CYBMUJFWSA-N 423.516 3.500 5 40 HHBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220571099 LETOXNVQROUGBO-IBGZPJMESA-N 419.503 3.703 5 40 HHBB CCc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 409108169 VJEIHQONSHMJTH-SFHVURJKSA-N 407.348 3.658 5 40 HHBB CCCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409244750 IEQXRKKOTKHXPL-XNTDXEJSSA-N 412.358 3.598 5 40 HHBB O=C(Oc1ccc(C(=S)N2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 13894936 ICSVLBFIXUHLCC-UHFFFAOYSA-N 420.874 3.600 5 40 HHBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 24869349 LGLGXCDFPZNMSW-JKSUJKDBSA-N 413.499 3.953 5 40 HHBB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 409169929 RHKPDIXJECXTSP-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1 3506265 FVNMNIVMNVZXTO-UHFFFAOYSA-N 403.851 3.775 5 40 HHBB Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 4157079 DZKLAQAKMQOPPI-UHFFFAOYSA-N 404.806 3.701 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 13648111 WHBUYYNHVHOWIW-UHFFFAOYSA-N 416.430 3.791 5 40 HHBB Cc1nn(CC(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c(C)c1[N+](=O)[O-] 21908102 HBDFYEDPLHPOQC-UHFFFAOYSA-N 400.464 3.689 5 40 HHBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nc3ccccc3s2)CC1 24149094 HTCJAKSAVVIEBL-JXMROGBWSA-N 408.483 3.562 5 40 HHBB O=C(CNC(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1[N+](=O)[O-] 32603982 XSQSQXQHAAUSJH-UHFFFAOYSA-N 405.410 3.542 5 40 HHBB CCCCCOC(=O)c1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 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CCn1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3ccc(C)cc3nc21 17015382 IWYYGDCNISJFEW-UHFFFAOYSA-N 411.443 3.622 5 40 HHBB Cc1sc(C(=O)NCc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] 40087449 UMHOBLWZVBBPNS-OKILXGFUSA-N 403.504 3.504 5 40 HHBB COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 408683357 MQYQAQLUMOPSDJ-UHFFFAOYSA-N 419.393 3.886 5 40 HHBB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 866281 HTJBSMRDFHZBSM-UHFFFAOYSA-N 400.456 3.984 5 40 HHBB O=C(c1ccc(Br)o1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 4120132 HZWKIWKLKANDPM-UHFFFAOYSA-N 410.249 3.696 5 40 HHBB COc1ccc(S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 23390734 SOXMCGRWHMCHMY-UHFFFAOYSA-N 413.407 3.602 5 40 HHBB CCc1ccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222533969 DLXMXZZBJYUHKX-SFHVURJKSA-N 419.503 3.649 5 40 HHBB CC[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc([N+](=O)[O-])cn1 2731592 NEFMBBBCGPXWIL-OAHLLOKOSA-N 410.463 3.631 5 40 HHBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 6143767 LSCLFJXHIZSALZ-HNNXBMFYSA-N 420.385 3.642 5 40 HHBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1cccs1 6740916 CRFTVWFUDMNRKM-VIFPVBQESA-N 402.350 3.902 5 40 HHBB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 9720781 FDFZUUGFJVPVQH-UHFFFAOYSA-N 421.841 3.914 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1COCc1ccccc1 32441860 MTASJVRDORZSTR-UHFFFAOYSA-N 412.467 3.790 5 40 HHBB O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1Cc1ccco1 2310269 XVFWCJGBIXHIPN-UHFFFAOYSA-N 407.433 3.984 5 40 HHBB Cc1nnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1Cc1ccccc1 3422264 MMHBZAMEDYFBSZ-UHFFFAOYSA-N 408.443 3.885 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269394 RZCRAZWJSWHMHI-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB CC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 34849529 VSFJRMLOGUIBII-HCXYKTFWSA-N 414.259 3.540 5 40 HHBB C[C@H]1CCCN(S(=O)(=O)c2ccc(Oc3ccc4cn[nH]c4c3)c([N+](=O)[O-])c2)C1 79016318 SILDRJLBQBHQFJ-ZDUSSCGKSA-N 416.459 3.684 5 40 HHBB COc1cc2nc(SCc3ccc([N+](=O)[O-])cc3)n3nc(C)nc3c2cc1OC 5005769 AIUIOYQIRYLTOX-UHFFFAOYSA-N 411.443 3.804 5 40 HHBB COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1[N+](=O)[O-] 6588059 XNWCJOSHDSHXHN-UHFFFAOYSA-N 415.427 3.507 5 40 HHBB COc1ccc2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2c1 18121032 IJELIXRNKXAZDS-UHFFFAOYSA-N 408.410 3.812 5 40 HHBB Cc1cc(Br)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1C 96305696 UJXFNCLZCGWRLA-UHFFFAOYSA-N 410.249 3.561 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 408642931 PTERHMHLSNRUCT-SNVBAGLBSA-N 424.240 3.902 5 40 HHBB COc1cc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc(OC)c1OC 8586688 GVHMXAAQMBFDHU-UHFFFAOYSA-N 423.425 3.863 5 40 HHBB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 28044849 PQGQTXCJEMEUBU-NSHDSACASA-N 423.878 3.636 5 40 HHBB Cc1ccc(NC(=O)N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)cc1Cl 84183019 XTTNTTKTCDIAHL-UHFFFAOYSA-N 410.261 3.959 5 40 HHBB COc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc1 2362197 XXVLPTLYGVMSPK-UHFFFAOYSA-N 400.390 3.820 5 40 HHBB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 12619859 QSHCFIXTBYMLCG-INIZCTEOSA-N 420.347 3.880 5 40 HHBB O=c1c2cnn(-c3ccccc3)c2nc(C(F)(F)F)n1Cc1ccc([N+](=O)[O-])cc1 89857555 HPCIKGBPYUISKF-UHFFFAOYSA-N 415.331 3.558 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C1=O 103561282 JVJIELLRMWCJEJ-HOCLYGCPSA-N 420.208 3.503 5 40 HHBB O=C(CCc1ccc(OC(F)F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 12999523 MPHXCMJBSJOWKT-UHFFFAOYSA-N 408.357 3.929 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nccc(C(F)(F)F)n1 32903567 WXXKSBXTFLIGKO-UHFFFAOYSA-N 402.354 3.533 5 40 HHBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C)cc1 224178251 ZHKWIGOWBAUGLJ-GOSISDBHSA-N 411.502 3.635 5 40 HHBB CC(C)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1Br 408599944 PFPYODQLRPSAQM-GQCTYLIASA-N 410.224 3.764 5 40 HHBB O=C(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1cccc([N+](=O)[O-])c1 2356900 BXZQIBVWLIPXDU-UHFFFAOYSA-N 424.420 3.783 5 40 HHBB O=C(Oc1ccc(C(=S)N2CCCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4725836 HQEKAMYOJNUXFB-UHFFFAOYSA-N 415.427 3.884 5 40 HHBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1OC 5895364 SWVSCXHJGIUVCC-UHFFFAOYSA-N 421.475 3.530 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310418 RNKXMTKRDFAWGN-LJQANCHMSA-N 411.458 3.840 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1cc(F)cc2c1OCOC2 10723403 GQBJFZVGQNYFDZ-UHFFFAOYSA-N 419.408 3.904 5 40 HHBB CSc1ccc(N2C[C@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 12899891 IHYPSXCDHGCXMC-GDBMZVCRSA-N 413.499 3.889 5 40 HHBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc12 16042167 XGFYDOLYQKTPRK-GFCCVEGCSA-N 413.426 3.773 5 40 HHBB biogenic CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611868 BBVJXNVZFGKSGY-UHFFFAOYSA-N 419.865 3.881 5 40 HHBB CN(C)[C@@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 22356876 WESHEAXBGGXZGW-SFHVURJKSA-N 402.520 3.679 5 40 HHBB CN(c1ccc(OC(=O)c2csc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1cccs1 40140817 VROMQIALFITPAA-UHFFFAOYSA-N 424.481 3.762 5 40 HHBB C[C@H]1CC[C@H](C(F)(F)F)CN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 611541275 LMBDVIFQSZEUHE-QWRGUYRKSA-N 416.787 3.961 5 40 HHBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc(I)c1 1505837 XAVYENFMTVDVLK-ZSOIEALJSA-N 420.162 3.544 5 40 HHBB COc1ccc(CN(C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 12807497 OXHYZZWBCYIQMI-UHFFFAOYSA-N 412.471 3.797 5 40 HHBB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 17089514 QJQRCYBUQHCRTK-UHFFFAOYSA-N 413.411 3.696 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1cccc(Cl)c1 409151066 GDMPTRAXHDEDSU-OVCLIPMQSA-N 417.830 3.923 5 40 HHBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(F)cc1 2395184 PRYCICUBAPLQBN-SOFYXZRVSA-N 402.359 3.699 5 40 HHBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1 4928843 OVZXVXTUIFIMOC-LJQANCHMSA-N 406.398 3.553 5 40 HHBB CSc1nc(C)c(CCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(C)n1 25044002 OUQGKEXTBJPWDW-UHFFFAOYSA-N 408.911 3.968 5 40 HHBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 46069509 RCORGQXYOLNINH-BETUJISGSA-N 402.426 3.642 5 40 HHBB Cc1cc(C)cc(Oc2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 101845600 TVGGSYRIBDYTRP-LWYYNNOASA-N 408.410 3.671 5 40 HHBB CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1[N+](=O)[O-] 8904228 FYETZBBKTHUOBC-UHFFFAOYSA-N 401.400 3.642 5 40 HHBB Cn1c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccc(F)cc1 9714223 HWUPCVHYPNMWGT-UHFFFAOYSA-N 421.841 3.914 5 40 HHBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc(I)c1 13925570 RRTBIRCECFTZHJ-ZROIWOOFSA-N 420.162 3.544 5 40 HHBB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 16743498 AUGILPZXRVZGFO-NSHDSACASA-N 416.817 3.585 5 40 HHBB Cc1nc(Cc2nnc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)o2)cs1 58024672 ONOYFWIQTFDIHJ-UHFFFAOYSA-N 416.444 3.676 5 40 HHBB O=C(c1ccc(OCC(F)(F)F)nc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 72295985 QDAOCLNLCBLODQ-INIZCTEOSA-N 413.377 3.819 5 40 HHBB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224079823 GGFQYGUDCTZPJW-GOSISDBHSA-N 423.513 3.656 5 40 HHBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 408576734 YFIDRNYYCAVOPK-QGZVFWFLSA-N 415.431 3.603 5 40 HHBB CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 409385090 JBCMRFMJVVQSRX-UHFFFAOYSA-N 416.434 3.899 5 40 HHBB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 2661998 KDJOILRGXCPOLC-NSHDSACASA-N 418.866 3.652 5 40 HHBB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c([N+](=O)[O-])c1 5434688 DRIWOLSUPSYFJR-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB COc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)cc1[N+](=O)[O-] 5702950 FPOCQMRJROQMQY-JYRVWZFOSA-N 403.188 3.710 5 40 HHBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NC4CC4)nc2c31 6624442 ZQASODURFLGRSH-UHFFFAOYSA-N 413.433 3.501 5 40 HHBB biogenic COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 6790003 PVGMEBNRPJUSJM-HXUWFJFHSA-N 400.431 3.892 5 40 HHBB NC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 25480864 TVBQBNCRTXEFSS-UHFFFAOYSA-N 416.481 3.605 5 40 HHBB Cc1csc(CCCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 58290241 WFOMKFHDYNNWDU-UHFFFAOYSA-N 402.520 3.715 5 40 HHBB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409146235 SDHVVUJHNMMQMD-MHWRWJLKSA-N 404.400 3.546 5 40 HHBB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 9463815 QGONNPQPIQXJDN-UHFFFAOYSA-N 424.240 3.593 5 40 HHBB COc1cc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc(OC)c1OC 11726692 BLBOPSGPEDYIFC-UHFFFAOYSA-N 420.421 3.928 5 40 HHBB CCOc1ccc(CN(CC)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC 22474700 HMRIMCCYUCVPME-UHFFFAOYSA-N 402.447 3.891 5 40 HHBB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224783552 KQUCJZXBPZWNTJ-UHFFFAOYSA-N 420.487 3.587 5 40 HHBB COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)cc1 2665255 VOBZVFHMHHCTIN-UHFFFAOYSA-N 401.400 3.812 5 40 HHBB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 4873950 PEJLDOZRTGDADJ-UHFFFAOYSA-N 410.478 3.689 5 40 HHBB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 4928821 ZMGKLTZYUDXTAL-IBGZPJMESA-N 406.398 3.553 5 40 HHBB O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1C[C@@H]1CCCO1 5065859 GAIAKVWPOPXCCI-INIZCTEOSA-N 403.486 3.979 5 40 HHBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 5113322 YKDKUQILNUEHPH-DHZHZOJOSA-N 408.454 3.633 5 40 HHBB Cc1ccc(C)c2sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 17089166 ROKZFJBDFHGRNX-UHFFFAOYSA-N 412.471 3.910 5 40 HHBB O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCc2ccc([N+](=O)[O-])cc21 65106456 YGJOPSJIEPKZTQ-UHFFFAOYSA-N 413.231 3.950 5 40 HHBB CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 943618 MRKAIHUHIIBOKG-LBPRGKRZSA-N 418.471 3.975 5 40 HHBB O=C(Oc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 2024637 KHGQFCSYBZYGIN-UHFFFAOYSA-N 408.322 3.941 5 40 HHBB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] 6026682 BXKQSYFEBORVBT-UHFFFAOYSA-N 405.838 3.736 5 40 HHBB O=C(O)COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 8703682 XPOZMZORTHEJDV-NRFANRHFSA-N 419.393 3.829 5 40 HHBB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O 17090479 GWMKPNGNXSLKFX-UHFFFAOYSA-N 416.242 3.743 5 40 HHBB CCO[C@@H](O)[C@H]1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1 19871507 RJAMVXLGGRZFAI-HVMFNXBNSA-N 410.392 3.502 5 40 HHBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 69056468 KAAACVHVGOQPBV-CQSZACIVSA-N 422.407 3.763 5 40 HHBB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222902598 MQWRZWYTEHXBFB-HXUWFJFHSA-N 411.502 3.512 5 40 HHBB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 9517645 IHAIXFVNUOQYNS-UHFFFAOYSA-N 424.417 3.594 5 40 HHBB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 12108722 ZODUYYZWTJMKLK-VQHVLOKHSA-N 412.409 3.993 5 40 HHBB Cc1cc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 12794348 GGVOLOFFTKZODR-HNNXBMFYSA-N 411.437 3.860 5 40 HHBB COc1cc(COC(=O)c2cc(Br)c[nH]2)c([N+](=O)[O-])cc1OC(F)F 25064017 VHQBHLKDAFATGH-UHFFFAOYSA-N 421.150 3.652 5 40 HHBB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1F 32931519 PJYUIJFAHLWOCO-UHFFFAOYSA-N 413.449 3.519 5 40 HHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2ccccc2C1=O 6598403 SKQOMNHZHFLFCO-UHFFFAOYSA-N 402.362 3.752 5 40 HHBB O=C(Cc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 9667699 MRDIFGBRQJDGNM-UHFFFAOYSA-N 403.398 3.941 5 40 HHBB COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])nc3C)n2)cc1OC 4872987 WAGQMLYDVLNKOY-UHFFFAOYSA-N 409.324 3.582 5 40 HHBB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 6639241 FXXKQVQJFIIDGM-CQSZACIVSA-N 418.881 3.763 5 40 HHBB CC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])c2O1 8178329 FDOBCLCDRVREON-UHFFFAOYSA-N 418.471 3.885 5 40 HHBB Cc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1C 9363706 SAIRECBEWSHHLW-UHFFFAOYSA-N 417.468 3.753 5 40 HHBB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 14404763 PKQYBYFDFBADKK-ZHACJKMWSA-N 405.414 3.839 5 40 HHBB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 17087522 IPLVNUIHUXQXKY-UHFFFAOYSA-N 406.851 3.724 5 40 HHBB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 17093772 KNZCSCQKPOIIJE-UHFFFAOYSA-N 424.276 3.801 5 40 HHBB Cc1c(CCOC(=O)c2ccc([N+](=O)[O-])cc2)sc[n+]1Cc1ccc(F)cc1 96305602 SGYUMULKUUUANL-UHFFFAOYSA-N 401.439 3.839 5 40 HHBB COc1c2c(c(O)c3c(=O)c4c(OC)c(O)ccc4oc13)[C@@H]1CCC[C@@](C)(O2)O1 100062531 MTCOVRSZCNNQLP-WIUDPPPLSA-N 400.383 3.725 5 40 HHBB biogenic,in-vitro CCCCn1c(-c2cccc([N+](=O)[O-])c2)nc2c(c(=O)c3ccccc3n2C)c1=O 5345493 KJNLWAMEOWWUKQ-UHFFFAOYSA-N 404.426 3.624 5 40 HHBB Cn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 5430497 FFEUQWGMQLAOCH-UHFFFAOYSA-N 408.443 3.656 5 40 HHBB C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 8435610 SZTDHBOVYZKKHX-SNVBAGLBSA-N 415.387 3.672 5 40 HHBB COc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 9667703 ITLNCMAGWNHYEB-UHFFFAOYSA-N 419.397 3.756 5 40 HHBB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Br)c([N+](=O)[O-])c1 12986213 QRRNABJHTHHVAB-UHFFFAOYSA-N 404.220 3.736 5 40 HHBB CCNc1cc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)ccc1[N+](=O)[O-] 13633006 KOWRAQNFRDKEKZ-UHFFFAOYSA-N 412.490 3.776 5 40 HHBB Cc1nccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cn1 69697054 LCPVPPFUYOZTFY-UHFFFAOYSA-N 420.473 3.973 5 40 HHBB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 12619855 QSHCFIXTBYMLCG-MRXNPFEDSA-N 420.347 3.880 5 40 HHBB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-] 792637 JYLVZVJZHBAPNU-HXUWFJFHSA-N 404.426 3.716 5 40 HHBB Cc1csc(Sc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2[N+](=O)[O-])n1 9442238 WLNOJEDZGVTGID-UHFFFAOYSA-N 414.468 3.862 5 40 HHBB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 12777082 GLLPBNMDIOPLGX-LBPRGKRZSA-N 419.384 3.781 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 12917136 GAKWUEOIRZDKSZ-LJQANCHMSA-N 400.481 3.993 5 40 HHBB COc1ccc(NC(=O)CCN2CCO[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 40154731 JRPRDQVYSRMOSG-IBGZPJMESA-N 419.865 3.659 5 40 HHBB O=Cc1ccc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)c([N+](=O)[O-])c1 57315405 BTWZCWBANBJTAG-UHFFFAOYSA-N 414.512 3.915 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 408684148 OFSWQTKNSOKEPK-RBUKOAKNSA-N 405.410 3.693 5 40 HHBB Cc1ccc(C)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc12 4583533 ZIRMICHOJRMNGU-UHFFFAOYSA-N 402.501 3.845 5 40 HHBB Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c([N+](=O)[O-])n1 6831807 YVWSEMOLGVPUQU-UHFFFAOYSA-N 409.446 3.799 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 8869842 TTZPQWFKNNDRPH-HXUWFJFHSA-N 424.478 3.578 5 40 HHBB Cc1ccc(Sc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 102014935 HTKORJTXUQQZNO-VJANTYMQSA-N 410.451 3.721 5 40 HHBB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1ccccc1[N+](=O)[O-] 2320010 IYUQUYOWCOESAH-UHFFFAOYSA-N 418.203 3.878 5 40 HHBB Cc1ccc(Cn2nc(C)c(NC(=O)CCCn3nc([N+](=O)[O-])cc3C)c2C)cc1 4873834 MEASFCLYKMCDNP-UHFFFAOYSA-N 410.478 3.689 5 40 HHBB O=C(c1ccc(F)cc1F)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 8342385 CUYCIDHZBZZEBP-UHFFFAOYSA-N 400.341 3.728 5 40 HHBB O=c1[nH]c(/C=C/c2cn(Cc3ccccc3F)c3ccccc23)nc(O)c1[N+](=O)[O-] 8994520 WXVOLLKMBRJUSU-MDZDMXLPSA-N 406.373 3.696 5 40 HHBB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20649700 YIZZAJDFTTXXGW-LBPRGKRZSA-N 410.352 3.744 5 40 HHBB Cc1nc(-c2cccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2)cs1 48340979 DDHRYRJTNVSYRK-UHFFFAOYSA-N 424.486 3.776 5 40 HHBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 205784541 SNDNZTTWXIDPHL-CXUHLZMHSA-N 416.411 3.843 5 40 HHBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1OC 215021428 GHYKBVXAMVPLIU-MHWRWJLKSA-N 400.412 3.849 5 40 HHBB CCCCCC[N@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O 257198590 DAECYOJSYCGTFP-CEEDGSLLSA-N 411.610 3.650 5 40 HHBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] 408643237 QRLAPOLLWVSUGK-LBPRGKRZSA-N 418.247 3.657 5 40 HHBB COc1cc(/C=C2\SC(=O)N(C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408808331 FTBPEMZGIWCNDL-MFOYZWKCSA-N 400.412 3.849 5 40 HHBB Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 5548105 AONQYTHLUJEJMC-LQDNNDEMSA-N 410.429 3.780 5 40 HHBB O=C(CCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1c(Cl)cccc1Cl 7002798 OBNUGIVYAJOGGQ-UHFFFAOYSA-N 411.197 3.943 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102735664 NHKZQPFXZRNZHB-QRVBRYPASA-N 421.434 3.707 5 40 HHBB COc1cc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C 218048561 ZAIZWZDFXNGLSA-UHFFFAOYSA-N 404.488 3.940 5 40 HHBB CCc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222372138 FOYYJNGYCKDROA-UHFFFAOYSA-N 419.503 3.651 5 40 HHBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl 224761506 STJHZYBYZVVEGX-UHFFFAOYSA-N 412.851 3.640 5 40 HHBB CCCCCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@H]5O)[C@H](CC)[C@H]2O 257198591 DAECYOJSYCGTFP-OOTQYPPZSA-N 411.610 3.650 5 40 HHBB COC(=O)c1cc(-c2csc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)c[nH]1 577458247 HYKNMZZJBZNYPQ-JTQLQIEISA-N 400.416 3.575 5 40 HHBB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4645045 XNFKGSMEKKUZQJ-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1ccc(Sc2ccc(C(=O)Nc3ncnc4nc[nH]c34)cc2[N+](=O)[O-])cc1 8277236 ZFITYSSZJRILFU-UHFFFAOYSA-N 406.427 3.973 5 40 HHBB Cc1c(C(=O)OCC(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 13477347 VEKYFTYYJICPSK-UHFFFAOYSA-N 423.175 3.614 5 40 HHBB CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl 20611733 OIPRVTQWWVKJHS-UHFFFAOYSA-N 405.838 3.736 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223176595 GFVRDIJMTSVEKO-UHFFFAOYSA-N 410.864 3.876 5 40 HHBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1O 408613619 YVTLRFZOZAOSSX-UHFFFAOYSA-N 414.199 3.916 5 40 HHBB CC(=O)c1c(P(=O)(OC(C)C)OC(C)C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 1633280 JTISWPYCZLQYRM-UHFFFAOYSA-N 409.379 3.960 5 40 HHBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4163290 NHKZQPFXZRNZHB-GUDVDZBRSA-N 421.434 3.707 5 40 HHBB N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 4521201 LCIHHQRYUNDZKY-IBGZPJMESA-N 403.507 3.881 5 40 HHBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1Cl 5448607 ZCODMYRZAJPANC-UHFFFAOYSA-N 403.851 3.775 5 40 HHBB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 13004369 DMGBDWMZRNXQOC-JXMROGBWSA-N 421.375 3.559 5 40 HHBB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OCC 19932556 IQWIDDOFVLEAAW-AWEZNQCLSA-N 408.476 3.573 5 40 HHBB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 29081604 QZNCTYRFDQWKDZ-UHFFFAOYSA-N 415.877 3.970 5 40 HHBB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1 1817068 ZMXXEJHYJHCWRO-OAQYLSRUSA-N 403.442 3.565 5 40 HHBB biogenic O=C(COC(=O)c1cnccn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 2374736 WORCLCPIOGWWGG-UHFFFAOYSA-N 413.773 3.870 5 40 HHBB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4321609 CKYTVPVCHBCIDF-MRXNPFEDSA-N 405.794 3.699 5 40 HHBB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 5294831 XDPVZZWXJCDYBM-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 7881896 UHGLADWRDJJSEU-LBPRGKRZSA-N 403.822 3.557 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 9480653 QTZXJEOAVKPANQ-UHFFFAOYSA-N 423.878 3.675 5 40 HHBB Cc1ccccc1-n1nnn(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1=S 12745028 KGGNOXZKKIRMMU-UHFFFAOYSA-N 404.883 3.758 5 40 HHBB Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57456083 LVVMJCXRRUQNNZ-QGZVFWFLSA-N 419.485 3.601 5 40 HHBB O=[N+]([O-])c1cccnc1-n1cnc(Sc2ncc(C(F)(F)F)cc2Cl)n1 1393324 DQLNZPOOVMFSME-UHFFFAOYSA-N 402.745 3.789 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 102075853 POIAQCMMXQUSHM-RTBURBONSA-N 406.394 3.660 5 40 HHBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1 213406092 GQDSWAYGBBIYJI-RQZCQDPDSA-N 400.412 3.849 5 40 HHBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 8571644 LNVVMVAEOMTAGD-UHFFFAOYSA-N 400.416 3.596 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@](O)(Cc1ccccc1)c1ccccc1 72304401 RRGYGPQLXADGBK-ZXYASIKESA-N 402.450 3.855 5 40 HHBB COC(=O)CC[C@@]1([N+](=O)[O-])CCCN(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1 72390492 FNRBYCFAKIUMOT-XLIONFOSSA-N 410.442 3.866 5 40 HHBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223564469 GHBJHYQVNQSXNJ-HXUWFJFHSA-N 411.502 3.861 5 40 HHBB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408614353 BFXQWAPSCYILSB-UHFFFAOYSA-N 405.410 3.786 5 40 HHBB COCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2ccc(F)cc2)s1 4880369 CXXCFVMPNXMOKA-UHFFFAOYSA-N 402.407 3.546 5 40 HHBB COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])c1cc2c(cc1Br)OCO2 5082334 VWDKDQFKYJAQOH-SDQBBNPISA-N 406.188 3.800 5 40 HHBB C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCCN(C2CCC2)C1 95469105 MAFWESMCPSZSAX-IEBWSBKVSA-N 414.550 3.580 5 40 HHBB CSc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222362668 VBTHNEXWZTVXTM-UHFFFAOYSA-N 423.516 3.502 5 40 HHBB CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)C(C)C 224705108 LCXZKZKTZOBXGD-UHFFFAOYSA-N 409.489 3.712 5 40 HHBB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 224789906 GLSIKUCGOSNRKI-UHFFFAOYSA-N 412.851 3.558 5 40 HHBB COc1ccc(OC)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)c1 408565054 BBSHKUXXIMFBLL-GOSISDBHSA-N 400.460 3.703 5 40 HHBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)c(Cl)c1 408669582 WWOBDBKVTOENRW-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 409179768 SFHDMJQZTIIOJV-GZTJUZNOSA-N 411.439 3.832 5 40 HHBB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cn3cc([N+](=O)[O-])cn3)n2)cc1 2733534 WMNNNIASAVYOHF-UHFFFAOYSA-N 405.414 3.845 5 40 HHBB COc1ccccc1C(=O)Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 4328247 NYTWRAMGNYEPAU-UHFFFAOYSA-N 402.457 4.000 5 40 HHBB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1cccc([N+](=O)[O-])c1 5399096 KPOCZCOWEHGSEN-UHFFFAOYSA-N 400.394 3.610 5 40 HHBB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 9720803 MHVCRISUBMPYIT-RCEBRVLHSA-N 416.411 3.761 5 40 HHBB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 10218473 CICALMLMUQOYNN-UHFFFAOYSA-N 419.484 3.706 5 40 HHBB Cc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 36394440 GTDYOWXDADHAAV-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1c(F)cccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409131232 MNGDKXFTKVBFLC-UHFFFAOYSA-N 401.423 3.569 5 40 HHBB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1cc([N+](=O)[O-])ccc1Cl 3271890 AEXLYCMDRKBYBY-UHFFFAOYSA-N 400.721 3.645 5 40 HHBB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 39761950 NSMJFALJGLIFGG-UHFFFAOYSA-N 409.402 3.882 5 40 HHBB COc1ccc(NC(=O)CCc2ccc(OC)c(Br)c2)c([N+](=O)[O-])c1 40059847 HTFONIJSUDLKLY-UHFFFAOYSA-N 409.236 3.946 5 40 HHBB COc1cc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 40111813 BYNXYBAVKMIWKD-CHWSQXEVSA-N 420.487 3.979 5 40 HHBB Cc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)cc1[N+](=O)[O-] 409168570 MTVKGKBNJREQFZ-UHFFFAOYSA-N 400.416 3.640 5 40 HHBB O=C(COC(=O)c1cccc(Br)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 9403426 PUAGOXHAUJCXPR-UHFFFAOYSA-N 413.611 3.806 5 40 HHBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 30560923 RIJLBJWZLWJEBZ-AWEZNQCLSA-N 424.457 3.803 5 40 HHBB Cc1cc(=O)n2nc(COc3ccc([N+](=O)[O-])cc3Cc3ccccc3)sc2n1 32789088 JNVSYOUBUARZCB-UHFFFAOYSA-N 408.439 3.537 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 103718745 MCDBHWFZZCXLSG-SNVBAGLBSA-N 411.311 3.744 5 40 HHBB CCc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222644670 OKKDUMCXPZQQTD-UHFFFAOYSA-N 419.503 3.651 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408646656 UAECAMVKVZMSRH-LBPRGKRZSA-N 403.822 3.557 5 40 HHBB COC(=O)c1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc([N+](=O)[O-])c1 12754423 DPJGQZHLNQMQKP-UHFFFAOYSA-N 406.797 3.979 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1C 19928040 JOXODHOPJQILQY-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33051899 LTANEQBVYUWZBE-VAWYXSNFSA-N 400.456 3.963 5 40 HHBB O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 35425764 OKEVQKRTDOUUGE-SFHVURJKSA-N 417.429 3.563 5 40 HHBB biogenic,in-vitro O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCCNc1ccccc1[N+](=O)[O-] 36397675 ZUMUEVNCHRUIKY-JLHYYAGUSA-N 418.453 3.810 5 40 HHBB COc1ccc(Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1OC 7610239 JXBYCIATMHHFJC-UHFFFAOYSA-N 415.427 3.561 5 40 HHBB O=C(NCc1ccccc1Cn1cccn1)c1ccc(Br)c([N+](=O)[O-])c1 12762935 ULXAPPPSSJTVQK-UHFFFAOYSA-N 415.247 3.532 5 40 HHBB C[C@H]1C[C@@H](C)CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 13769679 RLDAPFNEUZJIIG-CALCHBBNSA-N 424.549 3.908 5 40 HHBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1-c1cc(Cl)cc(Cl)c1 40399085 ZOYKBOAQCHQMSF-UHFFFAOYSA-N 424.247 3.720 5 40 HHBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 6043872 FCMXGGAKHCOMNR-GJZGRUSLSA-N 411.458 3.736 5 40 HHBB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16783908 FTLREJQOPTVFSN-UHFFFAOYSA-N 410.518 3.967 5 40 HHBB Cn1ccnc1[C@@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(F)(F)F 40162366 RDUPDZHOZLJRCC-OAHLLOKOSA-N 412.368 3.779 5 40 HHBB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 260778000 QVZQQMKIKMUKGH-HQOQDVMHSA-N 414.487 3.986 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 535833162 DYLIXOLUXCXSGL-FDDCHVKYSA-N 416.452 3.628 5 40 HHBB CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 846871 KWSQSIWGZWPUNE-UHFFFAOYSA-N 404.444 3.729 5 40 HHBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1 2301394 QBSJHCDMTQXUIY-UHFFFAOYSA-N 419.872 3.892 5 40 HHBB Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 4651968 PDQGNVDBOJFNAD-UHFFFAOYSA-N 423.473 3.736 5 40 HHBB Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc3oc12 5425350 ZKTDWPOVMYLALE-GFCCVEGCSA-N 413.426 3.779 5 40 HHBB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 6207499 STZYVJNMEKPEPW-WOJGMQOQSA-N 412.423 3.913 5 40 HHBB COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC 408571135 NSSWKSKGNDDPTO-SFHVURJKSA-N 418.450 3.842 5 40 HHBB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)c(C)c([N+](=O)[O-])c1 408993242 VWNCSIMVOLUWBD-LJQANCHMSA-N 424.457 3.989 5 40 HHBB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)c([N+](=O)[O-])cc1C 7235968 KNBBACGVVNJWPA-UHFFFAOYSA-N 415.450 3.877 5 40 HHBB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 7779552 GMIFXFVQMCHQGZ-UHFFFAOYSA-N 411.867 3.531 5 40 HHBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 8417292 DCONQMLHDIVXSP-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)C[S@](=O)C3)c1C 9413779 RSDVMLYGQPJDEX-SSEXGKCCSA-N 424.482 3.720 5 40 HHBB O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1ccc([N+](=O)[O-])cc1 9934644 BWROLWIQKMOUBW-UHFFFAOYSA-N 422.368 3.988 5 40 HHBB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 409177497 GBJLIJAUWQFTJH-GZTJUZNOSA-N 411.439 3.832 5 40 HHBB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] 7939755 ISXTUIOLOVDLDY-UHFFFAOYSA-N 407.220 3.715 5 40 HHBB CCOC(=O)COc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-] 16448432 YFHOJYKFOLCZLG-XQRVVYSFSA-N 411.208 3.766 5 40 HHBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 103718748 MCDBHWFZZCXLSG-JTQLQIEISA-N 411.311 3.744 5 40 HHBB CCOc1ccc(NC(=O)COC(=O)c2c(C)nc3ccccc3c2C)c([N+](=O)[O-])c1 19620126 KMRLDPNVDUYXQV-UHFFFAOYSA-N 423.425 3.954 5 40 HHBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc([N+](=O)[O-])ccc1Cl 19790585 KDZKXCNAMNJRNO-UHFFFAOYSA-N 408.838 3.609 5 40 HHBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 106709893 JDETXBHLFCNQGP-DHDCSXOGSA-N 417.830 3.923 5 40 HHBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 409176899 AGQXKUZZUUYRHK-LICLKQGHSA-N 411.439 3.887 5 40 HHBB c1cc2cc3c(cc2c2cc4c(cc12)C[N+]1(CCOCC1)C4)C[N+]1(CCOCC1)C3 820795 RWMIFHXHHHXNFS-UHFFFAOYSA-N 402.538 3.714 5 40 HHBB CCC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(c2ccc(Br)cc2)C1 840557 VQNALFZRPHYSHM-SFHVURJKSA-N 418.247 3.815 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)cc1 2755369 FAJHMZHYOUUJGO-UHFFFAOYSA-N 414.262 3.768 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 6343921 PKEOSSNLWMZCIZ-FBMGVBCBSA-N 405.454 3.997 5 40 HHBB COc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 17089899 DMTJNMNUIXGEPX-UHFFFAOYSA-N 414.487 3.721 5 40 HHBB Cc1c(CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cccc1[N+](=O)[O-] 40116360 YUHPARIUBJURJU-SFHVURJKSA-N 418.247 3.633 5 40 HHBB CCOC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 107976228 AMQSJDTVIORQLW-DHDCSXOGSA-N 400.774 3.769 5 40 HHBB O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(OC(F)F)cc3)CC2)cc1 4134963 UBZJJMQGGMRRJF-UHFFFAOYSA-N 408.430 3.715 5 40 HHBB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 5164947 WPGRDECMCNXIMZ-FQEVSTJZSA-N 421.453 3.588 5 40 HHBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCC1 7872235 SSQMEUJFWZEERH-UHFFFAOYSA-N 417.487 3.639 5 40 HHBB COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@H]1c1ccc(F)cc1F 12822641 JVZVCPMPVLSHJF-SFHVURJKSA-N 417.368 3.933 5 40 HHBB Cc1nccc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 31776705 GBAGXJRMCJXVIB-UHFFFAOYSA-N 404.835 3.814 5 40 HHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccccc1 4463562 IBFWDSNVVWUGGQ-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB COc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 10456436 PWPYUVRBEQNRMZ-UHFFFAOYSA-N 413.474 3.528 5 40 HHBB CSc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 10974424 FHRGSEMAIFGNTI-UHFFFAOYSA-N 403.479 3.804 5 40 HHBB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 22906545 QWRYPUNGGNPFDS-QFIPXVFZSA-N 402.454 3.519 5 40 HHBB Cc1ccccc1-c1noc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 32950511 RBEJGMIGJCLMNY-UHFFFAOYSA-N 422.441 3.913 5 40 HHBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])c(OC)cc3OC)N21 222649697 QVZQQMKIKMUKGH-QQGDVQBRSA-N 414.487 3.986 5 40 HHBB CCOC(=O)c1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl 225091921 LULMEMXYKWKTOA-UHFFFAOYSA-N 412.851 3.558 5 40 HHBB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl 408528210 FPVBBZBZMIRVJL-UHFFFAOYSA-N 401.810 3.683 5 40 HHBB CCc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 409108166 VJEIHQONSHMJTH-GOSISDBHSA-N 407.348 3.658 5 40 HHBB COC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCCCC2 997659 ZXFWMXVSQWUGBH-UHFFFAOYSA-N 420.491 3.554 5 40 HHBB CCCCc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10335475 ISTNTVKCOWXOKR-UHFFFAOYSA-N 419.503 3.651 5 40 HHBB O=C(Cc1csc(-c2ccsc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 15759510 CZDVGQJAPYALEJ-UHFFFAOYSA-N 414.512 3.671 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCN(C)C)C3=O 32594011 DMYITALTIDASKY-HXUWFJFHSA-N 421.453 3.507 5 40 HHBB Cc1nc(-c2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)cc(=O)[nH]1 32915388 HPJWMMZIUSCNND-GFCCVEGCSA-N 410.455 3.773 5 40 HHBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 225170145 BSIBLAMPGCCACY-MRXNPFEDSA-N 415.465 3.610 5 40 HHBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCOCC1 408975260 LLRCZQCNBVYVBI-UHFFFAOYSA-N 410.437 3.744 5 40 HHBB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2702627 OKFWRAUOOYEVNL-WBVHZDCISA-N 417.487 3.833 5 40 HHBB CCCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccccc2c1=O 3303477 HFYUSMIODJUKDK-UHFFFAOYSA-N 416.434 3.585 5 40 HHBB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 5430160 FHFFZCHZFXEFPZ-UHFFFAOYSA-N 411.487 3.836 5 40 HHBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 20154249 YJADMUJVOVXHOI-UHFFFAOYSA-N 402.454 3.924 5 40 HHBB C[C@]1(c2cccc3ccccc23)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O 40116364 GXKHOOQZUDZLNA-JOCHJYFZSA-N 405.410 3.594 5 40 HHBB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2c(C)cc(C)cc21 100910561 OZULLWLCFMMPCW-MRCUWXFGSA-N 413.455 3.532 5 40 HHBB O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)Nc1cccc([N+](=O)[O-])c1 138621344 HOEVQJSGWQSEIT-UHFFFAOYSA-N 421.409 3.649 5 40 HHBB Cc1c(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] 408561205 HDJVBZBAMKMVGD-UHFFFAOYSA-N 418.475 3.722 5 40 HHBB Cc1ccc(NC(=O)CCN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 4302054 DOPIUADZGJYBHB-ATVHPVEESA-N 411.439 3.968 5 40 HHBB O=C(CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12)Nc1ccc([N+](=O)[O-])cc1 9059358 ANTGLHZRESBNRM-UHFFFAOYSA-N 414.834 3.799 5 40 HHBB COc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c([N+](=O)[O-])c1 9637760 CHXZNJZZDLYYAS-UHFFFAOYSA-N 423.454 3.839 5 40 HHBB CCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 14042169 XXNZLBYSKAQMQE-UHFFFAOYSA-N 424.276 3.883 5 40 HHBB Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-] 18157416 JBMIKBMQMILMBP-UHFFFAOYSA-N 413.437 3.960 5 40 HHBB O=C(NCc1cccc(Br)c1)c1ccc2nc3ccccc3c(=O)n2c1 57477699 SBUUPLRGCAVDLA-UHFFFAOYSA-N 408.255 3.540 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)cc1[N+](=O)[O-] 100252252 LBWUIFMZTMLOAC-ZUOKHONESA-N 413.503 3.994 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 408689416 YYHXWNMYBYUAHQ-RTBURBONSA-N 405.410 3.693 5 40 HHBB CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 409209268 ILNCOVCNIBPXBQ-UHFFFAOYSA-N 420.805 3.611 5 40 HHBB CCN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O 409355653 DIKUOKQRVXHXQQ-GDNBJRDFSA-N 401.400 3.847 5 40 HHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccccc2F)c1 7594314 FRQFPVOHIPMQCM-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 16743497 AUGILPZXRVZGFO-LLVKDONJSA-N 416.817 3.585 5 40 HHBB O=C(CNc1cc(Cl)ccc1C(=O)N1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 32932732 HGZDJSDFFMGQGR-UHFFFAOYSA-N 416.865 3.925 5 40 HHBB O=C(COC(=O)CCCC(=O)Nc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 138736186 RZQLEZNZVIRPHX-UHFFFAOYSA-N 419.821 3.539 5 40 HHBB Cn1cnnc1Sc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] 2647998 VDDYECMDJXRHHF-INIZCTEOSA-N 409.471 3.682 5 40 HHBB CN(C)[C@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 22356878 WESHEAXBGGXZGW-GOSISDBHSA-N 402.520 3.679 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(C(=O)Oc2ccccc2)CC1 58330401 IXSKMHZQQWNXDC-UHFFFAOYSA-N 418.837 3.987 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O 101081102 JVJIELLRMWCJEJ-ZBFHGGJFSA-N 420.208 3.503 5 40 HHBB COc1ccc(-c2noc(CN(C(=O)Cc3ccccc3[N+](=O)[O-])C(C)C)n2)cc1 5354344 LEHMZRAOLOVEFW-UHFFFAOYSA-N 410.430 3.633 5 40 HHBB COc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5688369 HJBKQLMTSSSHJY-CQSZACIVSA-N 405.476 3.561 5 40 HHBB Cc1ccc(NC(=O)[C@H](OC(=O)c2c(C)nn(C)c2C)c2ccccc2)c([N+](=O)[O-])c1 10952482 VTYSMEVGSKLSQD-HXUWFJFHSA-N 422.441 3.790 5 40 HHBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 15913838 GDUXLOLUKGITGV-INIZCTEOSA-N 420.347 3.880 5 40 HHBB CCc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 409100400 VRSDUCQWMDMMCS-LJQANCHMSA-N 421.375 3.587 5 40 HHBB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 57315812 QMEHRMMRZPFULP-ACCUITESSA-N 408.439 3.886 5 40 HHBB Cc1ccc(C)c(N2C(=O)c3cccc4c(NCCO)c([N+](=O)[O-])cc(c34)C2=O)c1 95470808 HYGMQIZONHVEGI-UHFFFAOYSA-N 405.410 3.570 5 40 HHBB O=[N+]([O-])c1cccc(C2=C[C@@H](c3cc(Br)ccc3F)n3nnnc3N2)c1 101060326 DLXMZEHISMDDSP-HNNXBMFYSA-N 417.198 3.539 5 40 HHBB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220410721 GOCNSJBZLGVPOR-AWEZNQCLSA-N 405.476 3.511 5 40 HHBB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 8752808 JGMMZSLIOPZWTJ-NSHDSACASA-N 413.411 3.608 5 40 HHBB O=C(CSc1nnc(COc2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl 12249389 QNTPXOLYYNYLHP-UHFFFAOYSA-N 420.834 3.941 5 40 HHBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716624 CBBAXGKKZVJQBB-LJQANCHMSA-N 419.503 3.703 5 40 HHBB CCc1c(C(=O)Nc2cccc(N3CCOC3=O)c2)cnn1-c1ccc([N+](=O)[O-])cc1 24985570 LQVSRIWCHUORKW-UHFFFAOYSA-N 421.413 3.552 5 40 HHBB O=C(c1cc(F)ccc1F)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 48273915 HEPHCRFXEPYZBY-UHFFFAOYSA-N 400.385 3.775 5 40 HHBB CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 72302492 RTFLAUUSHRIVRE-MSOLQXFVSA-N 403.504 3.584 5 40 HHBB Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 408609278 QUDVOIBTSFHOHO-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1ccc(NN2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c(C)c1 3044961 GHVNCQLINAJHSB-UHFFFAOYSA-N 406.354 3.896 5 40 HHBB Cc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)ccc1[N+](=O)[O-] 8336521 NDJUZBRDCQNGDF-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc([N+](=O)[O-])c2)cs1 11026080 ACRCAYFTHYEKIE-UHFFFAOYSA-N 411.439 3.898 5 40 HHBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1csc(-c2ccc(Cl)cc2)n1 12927332 YVCAIJLYDSAWNI-MRXNPFEDSA-N 403.847 3.835 5 40 HHBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1cccnc1 13213595 WNUSZMIYQGDFOD-FQEVSTJZSA-N 413.389 3.842 5 40 HHBB Cc1nc(-c2cc(C)n(CC(=O)NCCNc3ccccc3[N+](=O)[O-])c2C)cs1 24987646 JBJKLDCMRCIAKR-UHFFFAOYSA-N 413.503 3.673 5 40 HHBB O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 59253204 NGZQIPVIRYCLIO-KRWDZBQOSA-N 407.348 3.679 5 40 HHBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 102748793 KLSOIPVTUNNHBD-NJDAHSKKSA-N 415.405 3.646 5 40 HHBB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224271113 AGLRRSFFLOTLMX-SFHVURJKSA-N 417.893 3.734 5 40 HHBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccccc1 5224575 KQIZRESEQNPPAV-NSHDSACASA-N 411.336 3.596 5 40 HHBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCc2sccc2[C@@H]1c1ccccc1 12888855 RNJHAUHYXXSWAF-FQEVSTJZSA-N 419.462 3.858 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O 408658547 JPTOYPVBRBHSLJ-HNNXBMFYSA-N 412.442 3.994 5 40 HHBB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4954268 FYHKYMYJSFEVJX-GFCCVEGCSA-N 412.427 3.967 5 40 HHBB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 17986627 RQYNFXLABWOWGX-UPRAQXHNSA-N 408.410 3.740 5 40 HHBB CCOC(=O)c1cc(C(=O)Nc2ccnn2Cc2cccc(C)c2)cc([N+](=O)[O-])c1 30527442 LTCYPKNKVWWDOF-UHFFFAOYSA-N 408.414 3.577 5 40 HHBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1C 409365820 PAQNKSXMFBCMRN-LICLKQGHSA-N 411.439 3.887 5 40 HHBB O=C(NCCNc1ccc([N+](=O)[O-])c2cccnc12)c1cc(F)c(F)cc1Cl 5335888 KCLQODUMWJPDEA-UHFFFAOYSA-N 406.776 3.917 5 40 HHBB Cc1cc(OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1[N+](=O)[O-] 7549463 FGELTMCQJREGKB-NRFANRHFSA-N 400.431 3.567 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 408638191 BTEPIUIONRRQJG-LLVKDONJSA-N 423.347 3.614 5 40 HHBB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl 6615724 RZEPAFBXDPOZAO-UHFFFAOYSA-N 404.879 3.975 5 40 HHBB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 20609997 SQVLVKQHNJGRLF-UHFFFAOYSA-N 403.398 3.655 5 40 HHBB Cc1ccc(C)c(Oc2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 103155253 CZYFRFJXXXEKSW-JYBIWHBTSA-N 408.410 3.671 5 40 HHBB Cc1cc(C)n(-c2ccc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)n1 13129764 ZTJHGFAQRSKYDH-UHFFFAOYSA-N 419.397 3.804 5 40 HHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17089515 MPJFLSONJOQIKO-UHFFFAOYSA-N 413.415 3.965 5 40 HHBB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OCC 19932554 IQWIDDOFVLEAAW-CQSZACIVSA-N 408.476 3.573 5 40 HHBB Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c([N+](=O)[O-])c1 101141544 KFRNIUBDBYAPPS-UHFFFAOYSA-N 422.309 3.673 5 40 HHBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Cl)c1 2287992 KBNQNUAVWZQBCD-UHFFFAOYSA-N 419.872 3.974 5 40 HHBB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 6408674 OKZWZCWKBMCWJR-JTQLQIEISA-N 412.320 3.806 5 40 HHBB CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1OC 19159551 FBFVFOJPRQIWBS-GFCCVEGCSA-N 412.398 3.912 5 40 HHBB Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 9569529 MOYPSQHNBSYXKO-UHFFFAOYSA-N 421.475 3.687 5 40 HHBB Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cccc1[N+](=O)[O-] 20061885 JBXXJGTZJVXCCI-UHFFFAOYSA-N 423.878 3.593 5 40 HHBB O=[N+]([O-])c1cnc(Sc2nnc(Cc3cccs3)n2C2CC2)nc1NC1CC1 26698358 BACRVEDCEKBAON-UHFFFAOYSA-N 415.504 3.689 5 40 HHBB Cc1cccc(N2C(=O)c3cccc4c(NCCCO)c([N+](=O)[O-])cc(c34)C2=O)c1 95470810 RDSPPLQIUHCQFT-UHFFFAOYSA-N 405.410 3.651 5 40 HHBB CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)OCC)c1C 8856947 QYVWTNYDMZAXAN-UHFFFAOYSA-N 420.443 3.879 5 40 HHBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)c1 9328249 GVPVGBVREDVWEC-UHFFFAOYSA-N 400.370 3.611 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1ON(C)C(=O)N1c1ccc(Cl)cc1 5724930 OGRJEWQGRHQDMH-KRWDZBQOSA-N 404.810 3.715 5 40 HHBB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc([N+](=O)[O-])cc1Cl 8560838 YVDSIVFBAVEOKL-UHFFFAOYSA-N 400.807 3.667 5 40 HHBB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1)OCCO3 9979291 HPBJHOYDHGULFS-AWEZNQCLSA-N 423.469 3.977 5 40 HHBB C[C@@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C 11225980 GQTKAGBMKMCPRQ-ZIAGYGMSSA-N 409.442 3.692 5 40 HHBB CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257279 MWMAPFTYJOMNTH-UHFFFAOYSA-N 410.430 3.689 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 40130853 POBFZVVYYOIBEL-LBPRGKRZSA-N 424.379 3.872 5 40 HHBB Cc1cc(C)c(NC(=O)Cn2c(C)nc([N+](=O)[O-])c2Br)c(Cl)c1 58162057 GWBSCWGNDMWQFJ-UHFFFAOYSA-N 401.648 3.771 5 40 HHBB Cc1ccc(-c2ccc([C@H](c3c(O)n[nH]c3C)c3c(C)n[nH]c3O)o2)c([N+](=O)[O-])c1 96193505 YTDBIXFMLGOXFV-UHFFFAOYSA-N 409.402 3.818 5 40 HHBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)O)n[nH]1 408631130 FDHXWFXZCSVZDO-GHXNOFRVSA-N 422.806 3.853 5 40 HHBB CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 867230 JYCXTDKRQXMBEE-KRWDZBQOSA-N 400.822 3.823 5 40 HHBB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 2661999 KDJOILRGXCPOLC-LLVKDONJSA-N 418.866 3.652 5 40 HHBB Cc1ccc(SCCOc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 13134426 HDKNNPMLEGLLRB-UHFFFAOYSA-N 422.528 3.859 5 40 HHBB C[C@@H](C(=O)Nc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400719 RAURDVBQVZXBFE-AWEZNQCLSA-N 413.455 3.541 5 40 HHBB CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccnc1 877884 NJWGOPKNKGLMSZ-CYBMUJFWSA-N 412.475 3.696 5 40 HHBB Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 1106739 DXXWWQDPNDJOAK-OVCLIPMQSA-N 416.231 3.759 5 40 HHBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1-c1ccccc1 7977502 LQUGOUSPSQVXIF-UHFFFAOYSA-N 400.394 3.610 5 40 HHBB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 13881380 MHVCRISUBMPYIT-WIWNTQSISA-N 416.411 3.761 5 40 HHBB COC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)c1 24748759 AYYTXIFNKVATKH-UHFFFAOYSA-N 400.434 3.888 5 40 HHBB O=C(Nc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 27207297 WULDWFXSMDAQJS-IBGZPJMESA-N 408.410 3.666 5 40 HHBB Cc1cc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] 32753900 DYEIWCQNYZHRQI-UHFFFAOYSA-N 403.438 3.655 5 40 HHBB Cc1cccc(OCc2nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=S)o2)c1 409172585 DDRVQULHQMUAPI-UHFFFAOYSA-N 400.416 3.640 5 40 HHBB O=[N+]([O-])c1ccc2oc(SCc3nc4ncccn4c3Br)nc2c1 710234 PATWHVWNSJDYAD-UHFFFAOYSA-N 406.221 3.834 5 40 HHBB Cc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 3302542 ZBRMROCVCXTHEQ-UHFFFAOYSA-N 417.727 3.766 5 40 HHBB Nc1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1[N+](=O)[O-] 5657359 CEYRINAYLMTAHF-UHFFFAOYSA-N 403.479 3.828 5 40 HHBB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 8433631 HDCNCGZLILZHMW-UHFFFAOYSA-N 407.220 3.715 5 40 HHBB Cc1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)ccc1[N+](=O)[O-] 15011833 XUCZTDFHBKBJQS-ODLFYWEKSA-N 403.419 3.934 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@H](O)c2ccccc2F)CC1 26902078 QYNCBQBMZPHCPZ-SFHVURJKSA-N 413.371 3.608 5 40 HHBB CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 95465839 RHJHTRLMFQBPTI-BFUOFWGJSA-N 414.849 3.940 5 40 HHBB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 3253785 NZQVGLUHEVZTGG-ZDUSSCGKSA-N 414.414 3.690 5 40 HHBB COc1cc(C(=O)O[C@@H](C)C(=O)c2cc(C)c(C)cc2C)c([N+](=O)[O-])cc1OC 3411900 ACAXDFWYQPGUAU-AWEZNQCLSA-N 401.415 3.965 5 40 HHBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(SC)ccc1Cl 5860510 WKJXUFDKGPRANX-UHFFFAOYSA-N 410.835 3.774 5 40 HHBB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 12869677 CYTRBIRIAFKZIO-LLVKDONJSA-N 416.817 3.585 5 40 HHBB COc1ccc(-c2nnc(NCc3ccc(OC(F)F)c(OC)c3[N+](=O)[O-])o2)cc1 95943635 CCYJQPBIGXPPFI-UHFFFAOYSA-N 422.344 3.876 5 40 HHBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C)cc1 222751517 MYEPMDPAINMQNL-QGZVFWFLSA-N 411.502 3.778 5 40 HHBB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl 2647476 ZOFREJJBURTLCF-QPJJXVBHSA-N 414.893 3.518 5 40 HHBB CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1[N+](=O)[O-] 4680131 KMXFXXSPBBCMMS-UHFFFAOYSA-N 409.192 3.707 5 40 HHBB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6615601 HOLQDICJLRZBLB-UHFFFAOYSA-N 411.395 3.680 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1c(F)cccc1Cl 14399807 OZLCPOIVINSDFM-UHFFFAOYSA-N 418.899 3.907 5 40 HHBB CCn1c2c(s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCc1ccccc1-2 408562482 QAJSSLVCYSDLRB-DQRAZIAOSA-N 409.467 3.993 5 40 HHBB O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1 6445318 CMXYQGROMRIMGP-UHFFFAOYSA-N 417.765 3.784 5 40 HHBB Cc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 8328344 PRRYODJUVRVQAD-QHCPKHFHSA-N 417.421 3.706 5 40 HHBB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 12971694 BZLCVDWYNYRMGP-GOSISDBHSA-N 411.458 3.840 5 40 HHBB Cc1nn(Cc2c(C(=O)Nc3cccc(Cl)c3C)noc2C)c(C)c1[N+](=O)[O-] 17082761 LMEPSVDUEZGXQO-UHFFFAOYSA-N 403.826 3.967 5 40 HHBB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224779276 RWLVHEBXVYFXMS-HNNXBMFYSA-N 417.893 3.734 5 40 HHBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OC 408606638 JJTZASOELJXOIA-UHFFFAOYSA-N 414.199 3.829 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 408639362 FUWIOGRVMXQECW-OAHLLOKOSA-N 405.410 3.748 5 40 HHBB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 408705049 XLBRBTQMRTYVMZ-UHFFFAOYSA-N 411.439 3.676 5 40 HHBB COc1ccc(Br)cc1[C@H]1OC(=O)c2c(OC)c(OC)cc([N+](=O)[O-])c21 5159753 HGMNEFVBMOKVEQ-OAHLLOKOSA-N 424.203 3.643 5 40 HHBB COc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F 9595443 DERUNUWEZOJEAC-UHFFFAOYSA-N 415.732 3.898 5 40 HHBB C[C@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N12 15931884 PQXSWFOGRMAMAY-JYLBCENBSA-N 419.222 3.774 5 40 HHBB COC(=O)c1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 3228298 QEJCKVZCSNVAFH-UHFFFAOYSA-N 403.441 3.722 5 40 HHBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33795612 PMCNTJCZDOCRDJ-UHFFFAOYSA-N 412.383 3.890 5 40 HHBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 408646081 NTWBDDMZXPEYCG-UHFFFAOYSA-N 420.421 3.917 5 40 HHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccco1 6356576 FCKGXTWOERABIZ-UHFFFAOYSA-N 407.839 3.850 5 40 HHBB Cc1cc2nc3s/c(=C/c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n3c2cc1C 6430536 BZPIZCZZTXEPGD-UDWIEESQSA-N 416.462 3.773 5 40 HHBB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 7051240 KRIGSFJIEDZELG-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1[N+](=O)[O-] 7549458 FGELTMCQJREGKB-OAQYLSRUSA-N 400.431 3.567 5 40 HHBB O=C(CSc1nc2ccccc2s1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 13129917 QAWTYWFRNIAYGQ-UHFFFAOYSA-N 418.452 3.907 5 40 HHBB COc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 21760360 YWRHDLSIYPMYPC-UHFFFAOYSA-N 418.759 3.513 5 40 HHBB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222522700 GKSRGPIDSTYBPV-IBGZPJMESA-N 419.503 3.902 5 40 HHBB CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531129 ZGBDXRLHPXBQHX-GOSISDBHSA-N 419.503 3.703 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)cc1[N+](=O)[O-] 604483823 LXFHAKPERHRTQU-MRXNPFEDSA-N 415.515 3.508 5 40 HHBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 3362873 TYMQHCFKLQEMIA-UHFFFAOYSA-N 420.421 3.898 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2[C@H]1c1ccccc1F 4853881 AAKYQXKGOBMLSD-HXUWFJFHSA-N 415.446 3.638 5 40 HHBB Cc1cccc(N2CCN(C(=O)c3c[nH]nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1C 4885782 TZZPNYCYRRQXJX-UHFFFAOYSA-N 405.458 3.564 5 40 HHBB CCOc1ccc(NC(=O)CN(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])cc1OCC 8051831 HRFHYEWPNVLOQW-UHFFFAOYSA-N 415.446 3.670 5 40 HHBB COC(=O)CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 24271106 CRNXTLBZHXQHFI-ZDUSSCGKSA-N 413.455 3.721 5 40 HHBB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(O)c([N+](=O)[O-])c1 36329886 YURUCIZPZXCFGM-YRNVUSSQSA-N 403.316 3.973 5 40 HHBB O=C(CN(CCCO)[C@@H]1CCCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] 72308760 GTCFWRQJIDYMBF-LJQANCHMSA-N 417.893 3.949 5 40 HHBB COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1 408568160 HUYNABHBPRHKDF-KRWDZBQOSA-N 416.434 3.612 5 40 HHBB CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 409354428 FIIRODWDONQWLO-OVCLIPMQSA-N 401.356 3.961 5 40 HHBB C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2621004 NGOFQBPYZWCESI-VIFPVBQESA-N 404.835 3.604 5 40 HHBB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2697449 SZSJVJGHUUWMNQ-UHFFFAOYSA-N 401.444 3.679 5 40 HHBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)NC1CCCCC1 6099839 PIOGBLCJURIDAW-UHFFFAOYSA-N 411.458 3.813 5 40 HHBB O=C(CCn1c(=O)oc2ccccc21)OCc1cc(=O)oc2ccc3ccccc3c12 7621376 MTYWBJGDTOFHIY-UHFFFAOYSA-N 415.401 3.988 5 40 HHBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 8417238 KQBYCGWMSDHCOV-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1ccc(F)cc1F 12822639 JVZVCPMPVLSHJF-GOSISDBHSA-N 417.368 3.933 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 89688882 VLRXIHYRZAIVDM-UHFFFAOYSA-N 417.487 3.639 5 40 HHBB O=C(NC1CCCCC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4182193 XXZCGVGRIHQTEB-UHFFFAOYSA-N 400.401 3.778 5 40 HHBB CCn1/c(=N\C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc(C(=O)OC)ccc21 8654187 MCAFLBHDBQEHMN-CZIZESTLSA-N 419.846 3.812 5 40 HHBB O=C1CCCN1C(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1 8826010 DUQGUWHUBTXDHK-UHFFFAOYSA-N 422.466 3.689 5 40 HHBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1cccc(C)c1 9234986 RRDYPIQRPRLBDM-CSKARUKUSA-N 423.425 3.840 5 40 HHBB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc([N+](=O)[O-])o3)nc12 12345216 NRRBHQZESYPGPI-UHFFFAOYSA-N 424.866 3.668 5 40 HHBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1 12674918 RVMMIRRCDQYHOR-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB Cc1c(CN2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cccc1[N+](=O)[O-] 72311993 SCJNZXJJBNPYES-UHFFFAOYSA-N 413.909 3.912 5 40 HHBB O=C(NC(=S)Nc1ccccc1S)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408627552 LOEBTGIJOPZHJK-UHFFFAOYSA-N 402.501 3.611 5 40 HHBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 4121248 PKYXEILHHJRUFJ-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12527380 PUUYEKICOFIHQN-UHFFFAOYSA-N 410.257 3.629 5 40 HHBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C)CC3)c(O)n2n1 22853319 KZXPZDYKJFVUFB-INIZCTEOSA-N 401.492 3.788 5 40 HHBB CC(=O)c1ccc(N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 79076531 UFPQHDQOGNEULO-IBGZPJMESA-N 409.442 3.730 5 40 HHBB C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)(c2ccccc2)CC1 1148263986 FOOQWEIOGUWSRF-SFHVURJKSA-N 421.497 3.827 5 40 HHBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 3501809 GLBUGYYEURFQPM-UHFFFAOYSA-N 418.866 3.652 5 40 HHBB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 4922769 NZQVGLUHEVZTGG-CYBMUJFWSA-N 414.414 3.690 5 40 HHBB CCOc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2NCCN(CC)CC)cc1 5011083 PDYFRWAJCHWJTK-UHFFFAOYSA-N 414.506 3.928 5 40 HHBB COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 8170056 DVTOVLOUTGUIJS-OAHLLOKOSA-N 413.474 3.706 5 40 HHBB O=[N+]([O-])c1ccc(NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 32827763 HYTFWJNDVLVBKU-UHFFFAOYSA-N 409.412 3.633 5 40 HHBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O 106703111 OUOFDSHGBXKXNT-SXGWCWSVSA-N 400.412 3.854 5 40 HHBB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc([N+](=O)[O-])cc1 217864437 UUIKDZWMEJDSRY-UHFFFAOYSA-N 417.219 3.680 5 40 HHBB Cc1cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)ccc1[N+](=O)[O-] 4090479 CKNFOQJDPBBRIZ-UHFFFAOYSA-N 424.438 3.875 5 40 HHBB CC(C)[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 7889796 WSTNJDJRAJZMBC-NRFANRHFSA-N 400.431 3.648 5 40 HHBB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc21 10971848 YKKXCZXKCWDJIO-UHFFFAOYSA-N 403.822 3.882 5 40 HHBB Cc1cccc(-n2c(C)nn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2=S)c1 12563012 LTCDBGLPWLFZTC-UHFFFAOYSA-N 424.530 3.708 5 40 HHBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)c1ccc(Cl)cc1 13424593 UUFUDTWJDMVKLW-UHFFFAOYSA-N 418.862 3.931 5 40 HHBB Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 9879419 BRQHLKOVZUNRAQ-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1Cl 12516989 UQDRLTAWOIBNLB-UHFFFAOYSA-N 418.837 3.528 5 40 HHBB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 12777077 GLLPBNMDIOPLGX-GFCCVEGCSA-N 419.384 3.781 5 40 HHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc2c(=O)n3ccccc3nc2s1 15441485 FWDXDATZHGMWTA-UHFFFAOYSA-N 423.435 3.679 5 40 HHBB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 18700410 GCWRANJUZLJFPM-UHFFFAOYSA-N 417.487 3.549 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]2C1=O 103559574 UXPXACRHAUOCOU-GOEBONIOSA-N 420.208 3.503 5 40 HHBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 4993557 INEDVKVVWCQTTM-NJYVYQBISA-N 415.405 3.646 5 40 HHBB COc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 8401354 MRBMSBGEFVDRAY-UHFFFAOYSA-N 406.338 3.649 5 40 HHBB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)no1 9510477 VUMSOKOXMUMQAZ-GOSISDBHSA-N 421.340 3.887 5 40 HHBB COc1cc(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC(F)F 9891688 DKEOGCYOAXOFHZ-UHFFFAOYSA-N 421.400 3.735 5 40 HHBB CCOc1ccc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC 13669912 JMLVJMUPYUDXOC-CQSZACIVSA-N 408.476 3.740 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1O 33048488 RKKCKWOZZTZQGL-UHFFFAOYSA-N 400.412 3.680 5 40 HHBB CCN1CCN(c2cc(NC(=O)c3ccc(F)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229360 GNNMACLIDTXROJ-UHFFFAOYSA-N 406.845 3.782 5 40 HHBB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 1315248 VTEJSNULSABXOV-LLVKDONJSA-N 422.420 3.732 5 40 HHBB O=C(C[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1cccs1 12377266 QDPJYAYRFCCQLN-OAQYLSRUSA-N 408.435 3.664 5 40 HHBB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 24960948 ZLRBBGMJDYWNHG-INIZCTEOSA-N 417.849 3.809 5 40 HHBB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1[N+](=O)[O-] 31961058 CUQYTNIYYGJQGR-UHFFFAOYSA-N 404.444 3.572 5 40 HHBB Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1-c1ccc(C(=O)O)o1 226353717 GJQLANPJPTZOCW-UHFFFAOYSA-N 402.384 3.662 5 40 HHBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408544613 VXAXOMKHQXANNO-UHFFFAOYSA-N 403.203 3.936 5 40 HHBB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1cccc([N+](=O)[O-])c1 3237122 WFISRUBKLNJLNM-UHFFFAOYSA-N 405.410 3.817 5 40 HHBB O=C(Nc1cccc(O)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 5003472 CHQNUFOZQNGWKH-MOSHPQCFSA-N 403.394 3.710 5 40 HHBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 223631001 NWUUOSHTRUIZAE-PMACEKPBSA-N 424.482 3.605 5 40 HHBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1Cl 409245461 UATVITSDIKUKQO-OQLLNIDSSA-N 417.830 3.923 5 40 HHBB Cc1c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cccc1[N+](=O)[O-] 12808831 KETDCKYLLNGZMA-UHFFFAOYSA-N 412.471 3.582 5 40 HHBB CCOC(=O)c1cc(C(=O)NCc2ccc(Oc3ccccc3)cn2)cc([N+](=O)[O-])c1 1557228075 ABXCDNOJIYGKCI-UHFFFAOYSA-N 421.409 3.889 5 40 HHBB O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 13000848 ATUJGADMPOQFLM-ZTLYHTANSA-N 412.486 3.845 5 40 HHBB COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 13003544 RYDMXXFIVWHOMY-GOSISDBHSA-N 417.368 3.933 5 40 HHBB COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 14376734 VHBVRUSSLKRRMI-UHFFFAOYSA-N 400.372 3.887 5 40 HHBB CCCn1c(=O)c2ccccc2n2c(SCc3cccc([N+](=O)[O-])c3C)nnc12 40122985 OZJIXNRZIFORBL-UHFFFAOYSA-N 409.471 3.963 5 40 HHBB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 5007300 QQUGSGJQJLFTBN-UHFFFAOYSA-N 413.459 3.532 5 40 HHBB O=C(Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 6269475 RTHGTODWKDONMX-UHFFFAOYSA-N 410.474 3.674 5 40 HHBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CC(C)(C)NC2(C)C 9639656 GUHSQMJUPDUTJO-UHFFFAOYSA-N 423.516 3.916 5 40 HHBB COc1cc(OC)cc(-c2nnc(SCCOc3cccc([N+](=O)[O-])c3)o2)c1 40123005 REMJXTGOPYXXJX-UHFFFAOYSA-N 403.416 3.833 5 40 HHBB CCc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222373359 IYRAXNYVIHSOFU-UHFFFAOYSA-N 419.503 3.651 5 40 HHBB COC(=O)c1sccc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 1083437 ZVLGDYXCEQQGGV-UHFFFAOYSA-N 402.384 3.867 5 40 HHBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(F)(F)F)cc1 9666200 YJUNUZBVAGPZDT-UHFFFAOYSA-N 424.364 3.541 5 40 HHBB COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c([N+](=O)[O-])c(OC)c1OC 12985319 KAZKCAGOESYUGB-UHFFFAOYSA-N 415.427 3.996 5 40 HHBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(N2CCOCC2)n1C1CC1 23043253 NOARSCHFXXHIIU-UHFFFAOYSA-N 415.397 3.528 5 40 HHBB O=C(c1cc2c(s1)CCCCCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 57993808 NYINKJNOXSFVPQ-UHFFFAOYSA-N 400.504 3.673 5 40 HHBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225556334 POVJGVDWFWUVPX-OAHLLOKOSA-N 417.893 3.733 5 40 HHBB Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4nc(C(F)(F)F)c3c2n(C)c1=O 1444408 QKUATJIBNHLOPV-UHFFFAOYSA-N 424.382 3.724 5 40 HHBB O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 5181383 WIBKLFKJPXKZQT-UHFFFAOYSA-N 402.863 3.820 5 40 HHBB Cc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)ccc1[N+](=O)[O-] 5659680 SHKGAZGIPBDAHQ-UHFFFAOYSA-N 400.460 3.625 5 40 HHBB CCCCOC(=O)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)cc1 6077970 IPWKRIDYFOQZLL-UHFFFAOYSA-N 401.335 3.740 5 40 HHBB Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-] 12821256 HUTHQYNOFZXSCV-UHFFFAOYSA-N 412.471 3.582 5 40 HHBB COc1c([N+](=O)[O-])cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1[N+](=O)[O-] 20528428 HPQWPPPTUWVSAC-UHFFFAOYSA-N 409.782 3.799 5 40 HHBB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O 222570236 FIBWINWCTQEXCC-MZPVMMEZSA-N 400.460 3.683 5 40 HHBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 8475225 PQUNIMCZYHTBBV-UIAACRFSSA-N 421.453 3.573 5 40 HHBB CC(=O)N(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cc(Cl)ccc1Cl 820900 YNMJBVSLCIKUNO-UHFFFAOYSA-N 408.197 3.508 5 40 HHBB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 5164946 WPGRDECMCNXIMZ-HXUWFJFHSA-N 421.453 3.588 5 40 HHBB COc1ccc(CCN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 32753305 GKJWMRSIMPNCAF-CQSZACIVSA-N 412.446 3.898 5 40 HHBB O=C(NCc1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 3221096 KVLGYXCWDFCXDL-UHFFFAOYSA-N 415.449 3.611 5 40 HHBB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3cccc([N+](=O)[O-])c3)o1)n2CC 12530790 DHXZKQOYSBBULY-UHFFFAOYSA-N 423.429 3.542 5 40 HHBB NC(=O)[C@@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@@H]1c1ccccc1[N+](=O)[O-] 39356293 KPVCUXKOJPSNDL-QAPCUYQASA-N 401.831 3.824 5 40 HHBB C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCCN(C2CCC2)C1 95469106 MAFWESMCPSZSAX-HKUYNNGSSA-N 414.550 3.580 5 40 HHBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NC(C)=O 223948889 OAEYMKVFGBEBER-UHFFFAOYSA-N 415.880 3.729 5 40 HHBB S=C(Nc1cc2ccncc2c2ncccc12)N1CCN(c2ccccn2)CC1 408977506 VYLXXLVLRPEGIF-UHFFFAOYSA-N 400.511 3.697 5 40 HHBB Cc1ccc(C(=O)N(C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4681008 WJYCJTNFFSSCNF-SFHVURJKSA-N 400.475 3.713 5 40 HHBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 5925339 CVLCRSRWPIFYRM-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc([N+](=O)[O-])s3)nc12 12140829 RQVFPFDLDDZLPD-UHFFFAOYSA-N 420.516 3.791 5 40 HHBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 21529576 RCPWLGYIHVRPAK-UHFFFAOYSA-N 423.498 3.904 5 40 HHBB Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30520999 SYCHCNFURFBPIC-UHFFFAOYSA-N 401.467 3.518 5 40 HHBB O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 32787171 UACGMFJKRHLVDX-UHFFFAOYSA-N 401.728 3.793 5 40 HHBB Cc1ccc(-c2nn3c(-c4ccccc4C(=O)O)nc4ccccc4c3nc2=O)cc1 65501896 GRJJNEWRFZRRQI-UHFFFAOYSA-N 408.417 3.978 5 40 HHBB CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)CC 13925606 OTDRJYAZTSLYRL-WJDWOHSUSA-N 410.382 3.653 5 40 HHBB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)o1 16724055 SHJZWVOWOSYXKX-UHFFFAOYSA-N 400.416 3.508 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 19160751 DNSMZWGOLFLNHV-UHFFFAOYSA-N 417.487 3.639 5 40 HHBB CCO[C@H](O)[C@H]1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1 19871509 RJAMVXLGGRZFAI-BCYZHJNNSA-N 410.392 3.502 5 40 HHBB Cc1nc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2c(=O)n1-c1ccccc1 23143766 IHXDIZADGIXUNH-UHFFFAOYSA-N 414.421 3.784 5 40 HHBB CSc1cccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 25834370 PCFHOVJXRAVZLH-ZBFHGGJFSA-N 413.499 3.889 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 95453634 LYOCQZMWNBJBJX-UHFFFAOYSA-N 400.338 3.599 5 40 HHBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCN2c3ccccc3C[C@@H]2C1 582213525 NOSGULQFNMUPJX-GOSISDBHSA-N 409.489 3.959 5 40 HHBB COc1ccc(-c2nc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 12561819 SAFRPFLMODUKOE-UHFFFAOYSA-N 424.482 3.689 5 40 HHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 15970657 LTSSNJKYSUGPMN-CGYQNGNCSA-N 417.421 3.564 5 40 HHBB O=C(NC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 32975813 ZKHKZTFHYGJUCD-OAQYLSRUSA-N 423.513 3.963 5 40 HHBB CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 59474815 FVXYUXSDXASLPU-UHFFFAOYSA-N 402.457 3.894 5 40 HHBB CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 95466624 MSIDNFYSXNOKRV-QGZVFWFLSA-N 420.510 3.597 5 40 HHBB Cc1cc(C)c2nc3sc4c(SCC(=O)N5CCOCC5)ncnc4c3cc2c1 1327802 BLFPBDXUHHDOJI-UHFFFAOYSA-N 424.551 3.960 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 6352407 MIQMTBDGZCSTOJ-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB COC(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc([N+](=O)[O-])c1 12614466 QAMLVJVUVKYPHI-UHFFFAOYSA-N 411.439 3.743 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 220388629 KXQDETBWBWVNFV-HNNXBMFYSA-N 419.503 3.820 5 40 HHBB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N21 260783850 UJEHBRXHYJFQQI-DPMMWBKBSA-N 414.487 3.986 5 40 HHBB Cc1cc(C)cc(OC(=O)C[S@@](=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 4387513 RMFWHSRWHOUIGJ-MHZLTWQESA-N 401.362 3.944 5 40 HHBB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 7988189 HURHZYSTBWSHAR-LURJTMIESA-N 409.777 3.515 5 40 HHBB COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 24494964 HJNOYXGLGAXLCL-UHFFFAOYSA-N 421.494 3.951 5 40 HHBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1csc([N+](=O)[O-])c1 42568247 JKXQALZKVHNRPT-UHFFFAOYSA-N 401.366 3.764 5 40 HHBB CC(C)NC(=O)c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 48277541 CZOAEKCTXXAJPR-KRWDZBQOSA-N 411.458 3.846 5 40 HHBB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c([N+](=O)[O-])c3)N21 222653368 UTTWTUGJHRNNFU-AFAVFJNCSA-N 400.460 3.683 5 40 HHBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 223637386 KFNLUGQQQXLCFT-PMACEKPBSA-N 424.482 3.605 5 40 HHBB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4895697 ORGFSSQUEVYQGV-UHFFFAOYSA-N 413.474 3.990 5 40 HHBB CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 5355117 QVZXHMQOULVBRA-UHFFFAOYSA-N 416.821 3.969 5 40 HHBB Cc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1[N+](=O)[O-] 9509331 JRWSYZGJSXJIPR-UHFFFAOYSA-N 417.219 3.626 5 40 HHBB O=C(CN1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccccc1 23617481 IPJQMAFSUDDEJJ-UHFFFAOYSA-N 405.458 3.658 5 40 HHBB O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cccc3ccccc23)CC1 45030665 CPJOQEKVMGWGOM-UHFFFAOYSA-N 404.426 3.738 5 40 HHBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 214984973 UAPNKKJZZMASGZ-CXUHLZMHSA-N 415.383 3.748 5 40 HHBB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225165598 DQHJUELYAAYGLZ-FQEVSTJZSA-N 411.502 3.779 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1 4594969 BUKMOWJJZYYTSZ-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB CC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)N1CCOCC1 4598445 JHFHUWGRQADCRB-LJQANCHMSA-N 406.511 3.765 5 40 HHBB CCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5345435 ZNKKFEQOQDLYMO-UHFFFAOYSA-N 404.426 3.624 5 40 HHBB COc1ccc(-c2ccc3nnc(SCC(=O)c4ccc([N+](=O)[O-])cc4)n3n2)cc1 9829058 HQHMBTDBFKRQLW-UHFFFAOYSA-N 421.438 3.683 5 40 HHBB O=C(OCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12522487 FVLPDXZCQILJAJ-UHFFFAOYSA-N 410.348 3.807 5 40 HHBB COC(=O)C(CCc1ccc([N+](=O)[O-])cc1)(CCc1ccc([N+](=O)[O-])cc1)C(C)=O 1666532 YNSBZUQDKWDXRD-UHFFFAOYSA-N 414.414 3.817 5 40 HHBB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12558530 AGQJNAJYGDFJEN-UHFFFAOYSA-N 401.438 3.875 5 40 HHBB O=C(O)c1ccc(O)c(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 13943441 QJYFNJFRWHJSDU-UHFFFAOYSA-N 420.333 3.592 5 40 HHBB COc1ccc(CCN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 32753304 GKJWMRSIMPNCAF-AWEZNQCLSA-N 412.446 3.898 5 40 HHBB CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 223581361 IBJNHKLCWXCUEW-UHFFFAOYSA-N 416.459 3.589 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C(=O)CCC3 4149956 CAACACFNSLYFKT-UHFFFAOYSA-N 400.412 3.969 5 40 HHBB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 8412977 ZFWUPLHINGKLJF-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB O=[N+]([O-])c1cc(-c2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])o2)ccc1Cl 409309958 ONFCMPJSJHKUCP-DJWKRKHSSA-N 404.722 3.788 5 40 HHBB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 792632 YPVVULHAJUDVJK-FQEVSTJZSA-N 404.426 3.716 5 40 HHBB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3546121 LUAZFZXAKJZNKI-NSHDSACASA-N 403.851 3.948 5 40 HHBB Cc1cc(C(=O)COc2ncnc3cc([N+](=O)[O-])ccc23)c(C)n1Cc1ccco1 6825546 BYRLBFVIYYBIAU-UHFFFAOYSA-N 406.398 3.859 5 40 HHBB CCn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccc(C)cc3nc21 9348917 JCOKEIQRXCXCSR-UHFFFAOYSA-N 411.443 3.622 5 40 HHBB CCCCOc1ccc(C(=O)OCC(=O)N2CCCc3cc([N+](=O)[O-])ccc32)cc1 15554593 BGSKFACRDVARKY-UHFFFAOYSA-N 412.442 3.910 5 40 HHBB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 19164669 UXNIMILEGAYMFK-UHFFFAOYSA-N 417.487 3.639 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](c1ccco1)N1CCCC1 24828881 ZTKHTQBQKCUGBU-JOCHJYFZSA-N 415.493 3.701 5 40 HHBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NS(=O)(=O)c2ccccc2)c1 32930119 QHIJMHDLMOCGGW-UHFFFAOYSA-N 411.439 3.577 5 40 HHBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 35808515 LTSSNJKYSUGPMN-AYPBNUJASA-N 417.421 3.564 5 40 HHBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104732 HXNJHMNIUSWTLS-LRDDRELGSA-N 401.492 3.788 5 40 HHBB COc1ccc(-c2nnc(SCCOc3cccc([N+](=O)[O-])c3)o2)cc1OC 40127204 IAGIUCADEKTWLA-UHFFFAOYSA-N 403.416 3.833 5 40 HHBB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccnc3c2ccc2ccccc23)cc1 40384363 HYFYDAHCBGTHGP-UHFFFAOYSA-N 405.479 3.891 5 40 HHBB Cc1cc(N(Cc2cccnc2)C[C@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 84114688 GJQFBHSCYYQEBB-HXUWFJFHSA-N 405.458 3.941 5 40 HHBB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)cc1 218053957 ZSKCUAYOJNQESC-UHFFFAOYSA-N 412.471 3.845 5 40 HHBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ncc(Cl)cc1Cl 3259361 LRYSPBRMTLOBSY-UHFFFAOYSA-N 404.593 3.746 5 40 HHBB Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)n2)o1 6608278 MJHFRYOPUWCKNO-UHFFFAOYSA-N 414.443 3.709 5 40 HHBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(C)=O)cc3c3ccnc2c31 6624326 KQAVSUFRDQYKFC-ZDUSSCGKSA-N 416.433 3.965 5 40 HHBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1SCCOc1ccccc1 7652707 WOAIMEOADCYGRS-UHFFFAOYSA-N 408.501 3.550 5 40 HHBB CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 72289530 QZVAKSJGEILCPM-QGZVFWFLSA-N 424.461 3.962 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C 4652829 HZKLKUVUWDWUPV-RNODOKPDSA-N 413.503 3.994 5 40 HHBB O=C(CNC(=O)c1cccs1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10041258 UOCZUBHKTVTHFU-FQEVSTJZSA-N 424.434 3.554 5 40 HHBB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12555875 BERLERSVJBARNJ-UHFFFAOYSA-N 412.446 3.820 5 40 HHBB COc1ccccc1Cn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O 40398768 QKLNONMQJNNXSN-UHFFFAOYSA-N 423.472 3.817 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 219998902 UYOLKWWCJFFKRN-UHFFFAOYSA-N 417.487 3.576 5 40 HHBB Cc1cc(C(=O)Nc2ccc(I)cc2F)ccc1[N+](=O)[O-] 408623993 WEOKZQSJXUIHEM-UHFFFAOYSA-N 400.147 3.899 5 40 HHBB Cc1c(NC(=O)CCC2CCCCC2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 1428419 NWJQETRVRZBAAD-UHFFFAOYSA-N 403.479 3.675 5 40 HHBB CN(c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 6549640 OYVCBUOVFVCBJH-UHFFFAOYSA-N 412.423 3.639 5 40 HHBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc([N+](=O)[O-])c1C(=O)O 8834681 OFBIMNIZRZVWIM-UHFFFAOYSA-N 414.355 3.577 5 40 HHBB COc1ccc(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1F 24835197 RXQKJWVGROXNKR-UHFFFAOYSA-N 412.167 3.545 5 40 HHBB C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2cccnc2)no1 32876067 APZLVNCGMKPBLZ-CYBMUJFWSA-N 409.402 3.558 5 40 HHBB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 4555229 YGWVHBXGFYQFQC-XMMPIXPASA-N 416.433 3.911 5 40 HHBB Cc1ccc(Cn2nc(C)c(NC(=O)CCCn3nc(C)c([N+](=O)[O-])c3C)c2C)cc1 4873948 WHZSOKHKPSGZET-UHFFFAOYSA-N 424.505 3.997 5 40 HHBB Cc1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1I 6960151 NWFVQHPKSZNNSS-VMPITWQZSA-N 409.183 3.555 5 40 HHBB CCOc1ccc(OCC)c(N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 12523311 RLUGTUVLTPCDJV-ZDUSSCGKSA-N 403.435 3.840 5 40 HHBB O=C1[C@@H](Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(O)=NN1c1ccc(Cl)c(Cl)c1 19418446 FVSHIFCYIVHVRZ-JTQLQIEISA-N 424.196 3.707 5 40 HHBB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225255578 QPBALRYZENKCHE-IBGZPJMESA-N 415.465 3.610 5 40 HHBB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1 820129 JIJAFZZYHQNXDS-UHFFFAOYSA-N 401.378 3.956 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(C)cc2)no1 7342121 MVPQZPVLLPONMP-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccc(F)cc2)c1 7573930 DKUJLACMSIGKAO-UHFFFAOYSA-N 401.781 3.850 5 40 HHBB CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1OC 19358402 OONSNRQMOHQECE-UHFFFAOYSA-N 423.805 3.784 5 40 HHBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1 2780793 XBPYHWCPJHXRQX-UHFFFAOYSA-N 408.439 3.794 5 40 HHBB COc1ccc(Cl)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9499186 OPQUJFTYGLUZHI-UHFFFAOYSA-N 419.850 3.789 5 40 HHBB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 13576730 UUJHBZLJJCVOOC-CXUHLZMHSA-N 414.395 3.537 5 40 HHBB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]21 15223193 DWNWFLJGOOEXSQ-OXUXUCFPSA-N 403.232 3.615 5 40 HHBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 21124401 XVXOHLMEAOBGHS-UHFFFAOYSA-N 416.173 3.836 5 40 HHBB CN(CCOc1ccccc1Cl)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 24390889 WQINIQDKECVWMY-UHFFFAOYSA-N 403.866 3.999 5 40 HHBB COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-] 24931585 VWCRRHBXQQASMQ-SFHVURJKSA-N 406.442 3.656 5 40 HHBB CN(C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1c(F)cccc1Cl 32869517 VKKHKLFQYYOYLZ-SFHVURJKSA-N 420.872 3.994 5 40 HHBB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 43147181 CIFNCPDWGSZCEJ-UHFFFAOYSA-N 412.446 3.794 5 40 HHBB C[C@@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 48342711 SCZYEMGHOGMKPI-AWEZNQCLSA-N 421.419 3.719 5 40 HHBB CN(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(F)c1 12794789 DKWBWXKSTYZRNG-QHCPKHFHSA-N 417.484 3.713 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-] 13382187 SOMMIQYQNNOCNF-UHFFFAOYSA-N 415.387 3.592 5 40 HHBB CC1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 17093955 VJXHSZSULPSBDR-UHFFFAOYSA-N 424.501 3.920 5 40 HHBB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 40115876 WYTGWAZWQBAHCD-OALUTQOASA-N 410.861 3.816 5 40 HHBB O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104356565 JEUBNYQWEDASBZ-UHFFFAOYSA-N 402.102 3.937 5 40 HHBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225017062 WPAQSTCOAVBEQS-MSOLQXFVSA-N 411.502 3.778 5 40 HHBB O=[N+]([O-])c1ccc2nc(SCc3nc4ncccn4c3Br)[nH]c2c1 1006277 UZAHJCROANPETE-UHFFFAOYSA-N 405.237 3.569 5 40 HHBB CCn1c(CN2CCCCCC2=O)nnc1Sc1ccc(Cl)cc1[N+](=O)[O-] 3438566 NVBJHSHQUDIFRW-UHFFFAOYSA-N 409.899 3.913 5 40 HHBB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 6306550 LHMBPCWZMQNUCT-ZHACJKMWSA-N 422.485 3.551 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 7928444 SZYMWJJFFXIUIQ-HNNXBMFYSA-N 405.410 3.748 5 40 HHBB COc1ccc(N(Cc2cccs2)C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 8542215 NBMYHJSBLBHSPA-UHFFFAOYSA-N 400.460 3.712 5 40 HHBB COc1ccc(C(c2ccc(OC)cc2)n2nc([N+](=O)[O-])nc2Br)cc1 95116226 IDXCTQCYIVRWBK-UHFFFAOYSA-N 419.235 3.604 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 604483820 LUYZZDKFSBQDBA-MRXNPFEDSA-N 415.515 3.508 5 40 HHBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 5544369 IGTVEUKVEWXCRB-YCIYHOANSA-N 410.429 3.780 5 40 HHBB O=[N+]([O-])c1ccc(CSc2ccc(S(=O)(=O)N3CCCCCC3)cn2)cc1 7372829 YFGSPOJDUXRXBW-UHFFFAOYSA-N 407.517 3.847 5 40 HHBB Cc1cccc2sc(NC(=O)c3ccc(=O)n(Cc4cccc([N+](=O)[O-])c4)c3)nc12 10187978 MLJALLXESGPOOF-UHFFFAOYSA-N 420.450 3.975 5 40 HHBB CN(C)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1ccncc1 11614641 MRUIRWLMJMGVRD-NRFANRHFSA-N 413.477 3.838 5 40 HHBB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1[N+](=O)[O-] 40130857 UWUSWKKBKRQHEJ-UHFFFAOYSA-N 400.416 3.695 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317299 VRBMPYWGHSCZDY-UHFFFAOYSA-N 417.746 3.767 5 40 HHBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 408565616 COHUFWPNIVEXQC-INIZCTEOSA-N 403.395 3.733 5 40 HHBB CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 5688325 MBABAOFVSFPZAP-OAHLLOKOSA-N 403.485 3.950 5 40 HHBB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222522387 VYSQEYMQFSAHKC-SFHVURJKSA-N 419.503 3.703 5 40 HHBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 3271377 USESSCZIKUBHEL-UHFFFAOYSA-N 400.721 3.645 5 40 HHBB Cc1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 6844754 RGTWMAKFMMCMLH-UHFFFAOYSA-N 404.806 3.701 5 40 HHBB COc1ccc2[nH]cc(CCNS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2c1 72307365 GDFUZSLTQHYFTP-UHFFFAOYSA-N 423.878 3.568 5 40 HHBB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)c([N+](=O)[O-])c1 9198609 FLKDUSRZFVBNLD-UHFFFAOYSA-N 414.443 3.904 5 40 HHBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(=O)n3ccccc3n2)cc1 11540031 OABCLHXPOKSZEX-UHFFFAOYSA-N 403.394 3.857 5 40 HHBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2ccccc2n1Cc1ccccc1 13196508 MXEWKBXTNWKQSC-UHFFFAOYSA-N 408.439 3.794 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccccc1F 15165819 PBOQIJWAYOZACQ-UHFFFAOYSA-N 407.467 3.911 5 40 HHBB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1 217868342 XRGWGWZEDFJVSP-UHFFFAOYSA-N 417.219 3.680 5 40 HHBB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O 222570176 FIBWINWCTQEXCC-JECHBYEQSA-N 400.460 3.683 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 408642929 PTERHMHLSNRUCT-JTQLQIEISA-N 424.240 3.902 5 40 HHBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1C(=O)NC1CCCC1 6062019 OMFMCJROGGXMAY-UHFFFAOYSA-N 417.849 3.938 5 40 HHBB O=[N+]([O-])c1ccc(-c2noc(CN(Cc3cccs3)C[C@H]3CCCO3)n2)cc1 40118759 ZICPXEZYRFADNR-MRXNPFEDSA-N 400.460 3.888 5 40 HHBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 223637458 YCTMBRIICJTZCI-WOJBJXKFSA-N 424.482 3.605 5 40 HHBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 6225996 NGHPSTMKBAWIBY-UHFFFAOYSA-N 408.443 3.884 5 40 HHBB CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 16039097 VSFJRMLOGUIBII-WJFTUGDTSA-N 414.259 3.540 5 40 HHBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 21848354 DRPQVYXEYKCUQN-CQSZACIVSA-N 422.407 3.763 5 40 HHBB Cc1c(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-] 217878261 NIVNNZPYFDTIJT-UHFFFAOYSA-N 417.219 3.646 5 40 HHBB COc1ccc(CCC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280234 KKEVLWFWLUUOGZ-FQEVSTJZSA-N 412.506 3.698 5 40 HHBB biogenic CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2702626 OKFWRAUOOYEVNL-RDJZCZTQSA-N 417.487 3.833 5 40 HHBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccccc1F 4892860 NXWCZTAGNCMYJY-CAZKKTPXSA-N 414.392 3.611 5 40 HHBB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1[N+](=O)[O-] 6616572 LVYKFFZIJMIJCV-QGZVFWFLSA-N 402.476 3.860 5 40 HHBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 8071496 ATRYJTDSFVOCPC-UHFFFAOYSA-N 408.443 3.884 5 40 HHBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 9373081 WDBJCKFGLPYIBB-INIZCTEOSA-N 420.347 3.880 5 40 HHBB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-] 9510643 RCMDIMVKZUEMGI-ZDUSSCGKSA-N 423.381 3.624 5 40 HHBB Cc1cccc2c(=O)n(CCCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)cnc12 25834443 RRBBDJSGGOHXTI-MRXNPFEDSA-N 408.458 3.613 5 40 HHBB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 138960704 BRWREMYGETYNIM-AFMUBRCDSA-N 422.437 3.622 5 40 HHBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223630863 NWUUOSHTRUIZAE-WOJBJXKFSA-N 424.482 3.605 5 40 HHBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NC1CCCC1 223759812 GEELWTFWUVWBID-SFHVURJKSA-N 423.513 3.922 5 40 HHBB O=C(NCc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCOCC1 48344727 MHAMDITVKMMABB-UHFFFAOYSA-N 424.379 3.772 5 40 HHBB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 55652214 KPKFOXWAYVJNSJ-UHFFFAOYSA-N 406.442 3.762 5 40 HHBB C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCCN(C2CCC2)C1 95469107 MAFWESMCPSZSAX-MJGOQNOKSA-N 414.550 3.580 5 40 HHBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc([N+](=O)[O-])cc1 224526971 DGGLIOISQOMSCN-UHFFFAOYSA-N 415.402 3.787 5 40 HHBB C[C@]1(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)Cc2ccccc2C(=O)O1 9192153 BDBJJUMILFESAV-OAQYLSRUSA-N 423.450 3.752 5 40 HHBB CC[C@@H](SC1=NCCS1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 9404374 PSDYXYNXZKITJI-LLVKDONJSA-N 409.518 3.666 5 40 HHBB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 16756254 BPSKVHPQRUHSLH-UHFFFAOYSA-N 421.438 3.865 5 40 HHBB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 17090891 DEXNSOUJDGWKTE-UHFFFAOYSA-N 416.865 3.559 5 40 HHBB Cc1cc(C=O)c(C)n1N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1[N+](=O)[O-] 9324264 PTFLYZKWHNRHCP-UHFFFAOYSA-N 422.397 3.712 5 40 HHBB O=C(O)c1ccccc1-c1c2ccc(=O)c([N+](=O)[O-])c-2oc2c([N+](=O)[O-])c(O)ccc12 16450577 XCKLJWKQLVMGMG-UHFFFAOYSA-N 422.305 3.785 5 40 HHBB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 17089882 MQOULRYNIULPIM-UHFFFAOYSA-N 414.487 3.644 5 40 HHBB CCOC(=O)c1cc(C(=O)N(C)CCCOc2cccc(Cl)c2)cc([N+](=O)[O-])c1 59803692 ZXDBEJCRBJVQCX-UHFFFAOYSA-N 420.849 3.966 5 40 HHBB O=[N+]([O-])c1cc(/C=C/c2nc(O)c3c(n2)CN(Cc2ccccc2)CC3)ccc1O 89835016 JTYPWCVMZDPROU-VQHVLOKHSA-N 404.426 3.525 5 40 HHBB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 1022544 ZXXQNBBOAUBILB-INIZCTEOSA-N 414.892 3.693 5 40 HHBB O=C(OCc1cn2cc(Cl)ccc2n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 5972096 ZVSFWOJFLIUQMZ-UHFFFAOYSA-N 400.822 3.853 5 40 HHBB CCOc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC 10546662 RGHVDXXASJYJHZ-AWEZNQCLSA-N 424.457 3.898 5 40 HHBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1I 12526801 ZLUMMCRALHPVPV-UHFFFAOYSA-N 411.199 3.640 5 40 HHBB CN1CCN(c2cc(NC(=O)c3cccc(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229297 YFOXCPULDAGVPO-UHFFFAOYSA-N 409.273 3.906 5 40 HHBB O=C(Nc1ccccc1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4736780 HWZSORBPYQLPMP-UHFFFAOYSA-N 410.474 3.674 5 40 HHBB CCc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 4905800 BXILIKRMICHVIN-UHFFFAOYSA-N 401.422 3.671 5 40 HHBB O=C(COC(=O)c1cccs1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 6926697 JCSNJSHRLHKPAW-UHFFFAOYSA-N 411.391 3.915 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccn1 9089843 HTJDVVACKWRWNH-IBGZPJMESA-N 417.352 3.985 5 40 HHBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)C3=O 9185100 ARHBPXGVYLFKOK-OXQOHEQNSA-N 420.421 3.734 5 40 HHBB Cc1nn2c(nc1=O)SC[C@@H](Sc1ccc([N+](=O)[O-])cc1)[C@@H]2c1ccccc1 16779248 JWZNVQXINFVYIM-SJORKVTESA-N 412.496 3.711 5 40 HHBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 21134214 NQSXXGBNVTYTJR-KGLIPLIRSA-N 400.456 3.596 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1cccc(Cl)c1 3275242 VETCVVVHQKMQOE-LZGFCCKTSA-N 404.806 3.840 5 40 HHBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H](c1ccccc1)C1CC1 10044469 ANMGGBPHMVLZQX-FQEVSTJZSA-N 401.488 3.943 5 40 HHBB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 10962176 UWXJSUSZBYKKPV-UHFFFAOYSA-N 409.486 3.504 5 40 HHBB Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n(C[C@H]2CCCO2)c1C 21568004 KNRZVLTUZTZKOB-CQSZACIVSA-N 424.910 3.971 5 40 HHBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 29186831 IMKNOHFWTWEPOZ-ZDUSSCGKSA-N 414.892 3.772 5 40 HHBB CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 95465838 RHJHTRLMFQBPTI-ORAYPTAESA-N 414.849 3.940 5 40 HHBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(I)cc1 682717 QMAZIBROTWQTNU-ZROIWOOFSA-N 420.162 3.544 5 40 HHBB CCCC(=O)Nc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)OC 5007115 PWDKECRWLCAVFD-UHFFFAOYSA-N 405.432 3.742 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1-n1ccc2nc(N3CCc4ccccc4C3)ncc2c1=O 19959064 XAPYWSJFNXCGFF-UHFFFAOYSA-N 413.437 3.560 5 40 HHBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)c1C 24865389 KJLSNWAVEYKDBF-UHFFFAOYSA-N 401.444 3.591 5 40 HHBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 32114600 FURZAPDMTQKXLW-UHFFFAOYSA-N 420.878 3.970 5 40 HHBB Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2)n1 40153082 GCMWNRWYBDSZIO-UHFFFAOYSA-N 403.442 3.851 5 40 HHBB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 138587148 VKIRJIZHXLRABL-RCCQNZRSSA-N 417.377 3.952 5 40 HHBB O=C(Cn1ccs/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 409205519 OLEHGTKIXSHXMK-ZZEZOPTASA-N 401.831 3.735 5 40 HHBB COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC(C)(C)NC2(C)C 4275280 VWAJMMATLOGURW-UHFFFAOYSA-N 417.487 3.855 5 40 HHBB Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c(C)c1[N+](=O)[O-] 8985750 GVKPPGKQEWIXTB-CQSZACIVSA-N 415.500 3.909 5 40 HHBB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59475020 IMFSFMIXQYLILJ-UHFFFAOYSA-N 424.398 3.679 5 40 HHBB Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 79046642 XGWXNVQVSAOZKP-CYBMUJFWSA-N 400.460 3.666 5 40 HHBB Cc1cc(N(Cc2cccnc2)C[C@@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 84114685 GJQFBHSCYYQEBB-FQEVSTJZSA-N 405.458 3.941 5 40 HHBB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223097348 KVYJKGXRYCXWKJ-KRWDZBQOSA-N 411.502 3.512 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 408619718 IRBVLJRHFAQQHC-UHFFFAOYSA-N 417.487 3.639 5 40 HHBB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 885983 ZDLRNNDSTFSECZ-UHFFFAOYSA-N 403.398 3.980 5 40 HHBB C[C@@H](C(=O)OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13015083 HWHKOYAMLYGGOS-JTQLQIEISA-N 418.254 3.807 5 40 HHBB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] 17091026 MHAAMUPYDFPNLW-UHFFFAOYSA-N 417.428 3.548 5 40 HHBB C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(Cc2cccs2)n(C)c1=S 40091168 GSDSTEXTGLLDRY-GFCCVEGCSA-N 401.517 3.920 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 535833164 DYLIXOLUXCXSGL-MBSDFSHPSA-N 416.452 3.628 5 40 HHBB COCCCn1c2nc3ccccc3nc2c2c(=O)n(CCc3ccccc3)cnc21 2375959 OPBAYWDLQWBCLE-UHFFFAOYSA-N 413.481 3.574 5 40 HHBB O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1C[C@@H]1CCCO1)CCCC2 10255546 CVHBBLXFZOFPCW-INIZCTEOSA-N 401.488 3.502 5 40 HHBB O=C(c1ccccc1)c1ccc(N2CCC(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 32857658 ZRQOGOUQXXBGAZ-UHFFFAOYSA-N 407.470 3.665 5 40 HHBB Cc1ccc(S(=O)(=O)c2c(Cl)sc(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1 57291967 ZCNFAQRVOQAIMU-UHFFFAOYSA-N 424.887 3.661 5 40 HHBB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 823231 ZTFYLGRYRYYIJB-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2418247 HLCYVIPGAUROIJ-MRXNPFEDSA-N 405.502 3.828 5 40 HHBB CCOC(=O)c1c(NC(=O)COc2ccc(OC)cc2[N+](=O)[O-])sc(CC)c1C 3408435 PTCHBFNLQGSGDA-UHFFFAOYSA-N 422.459 3.730 5 40 HHBB O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1 4551655 BMRFLBIXOISYET-UHFFFAOYSA-N 405.366 3.798 5 40 HHBB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 7928447 BYQFJNBCLSXUJQ-MRXNPFEDSA-N 411.458 3.720 5 40 HHBB O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 13370228 KWIXCEPPKLVGRU-ATVHPVEESA-N 422.353 3.506 5 40 HHBB CSc1nnc(CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C1CCCC1 40007558 IZBKANAVYVDJJT-UHFFFAOYSA-N 404.496 3.778 5 40 HHBB Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 409199100 HADMIDKKWFIRNJ-UHFFFAOYSA-N 407.220 3.770 5 40 HHBB CCOC(=O)c1cc(NC(=O)Nc2ccccc2[N+](=O)[O-])cc(C(=O)OCC)c1 6940863 IVFYJSVOYYOVKD-UHFFFAOYSA-N 401.375 3.592 5 40 HHBB C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl 611541273 LMBDVIFQSZEUHE-GHMZBOCLSA-N 416.787 3.961 5 40 HHBB COc1ccc(Cn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2228840 LYTTZGMOTPDGKB-UHFFFAOYSA-N 400.390 3.820 5 40 HHBB O=c1nc2n(-c3ccc(Br)cc3)c3cccc(Cl)c3cc-2c(=O)[nH]1 2252688 ZSWNRJAMTDECEL-UHFFFAOYSA-N 402.635 3.595 5 40 HHBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ncc(Cl)cc1Cl 3257080 LGPSWAQRXIHMAH-UHFFFAOYSA-N 404.593 3.746 5 40 HHBB CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)OC(C)(C)OC2=O)[C@H]1c1ccccc1 5389237 OADANPYOHMPFFJ-GOSISDBHSA-N 410.426 3.541 5 40 HHBB O[C@H](COc1c2ccccc2nc2ccccc12)CN1CCN(c2ccccc2)CC1 5479469 PDDBLYJOBGPLMT-NRFANRHFSA-N 413.521 3.950 5 40 HHBB O=C(NCCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1 22482739 FEUVIOGQUOXSSP-UHFFFAOYSA-N 418.453 3.512 5 40 HHBB COc1cccc(N2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 58039204 XYBDCIRVWBSKBX-OAHLLOKOSA-N 409.446 3.537 5 40 HHBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cl)cc1Cl 797417 SYPUUMKMZJGNHD-UHFFFAOYSA-N 408.039 3.808 5 40 HHBB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(SC)c([N+](=O)[O-])c1 7853364 DGAUQZZEGGGSSU-GFCCVEGCSA-N 404.444 3.818 5 40 HHBB CCCc1noc(-c2ccc(N3CCN(c4ccccc4OC)CC3)c([N+](=O)[O-])c2)n1 15833864 ZIPBAAQVUIKQAS-UHFFFAOYSA-N 423.473 3.933 5 40 HHBB CSCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1F 72312598 XRXCHJGMWQDWSI-JTQLQIEISA-N 410.398 3.920 5 40 HHBB CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531280 BVNOQSPQKIHJDJ-GOSISDBHSA-N 419.503 3.703 5 40 HHBB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409363804 VFHOOWUEGSMABG-LICLKQGHSA-N 408.391 3.938 5 40 HHBB COc1ccc(C(=O)Nc2nnc(CSc3ccccc3)s2)cc1[N+](=O)[O-] 9095414 LKSCKRBMLMPXHQ-UHFFFAOYSA-N 402.457 4.000 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 9159127 PJLNHFOMLFKWEG-KXBFYZLASA-N 424.384 3.565 5 40 HHBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 9990177 QABBOMHVOIEWBG-QPJJXVBHSA-N 422.437 3.501 5 40 HHBB COc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 24117967 UZCMJLXBHMYAQZ-UHFFFAOYSA-N 421.453 3.821 5 40 HHBB O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1cccs1)N1CCCCCC1 27989247 DHPGTKNRGHDNRL-QGZVFWFLSA-N 403.504 3.769 5 40 HHBB CNC(=O)c1ccc(NC(C)(C)COc2ncccc2C(F)(F)F)c([N+](=O)[O-])c1 89761833 CMFHJPLBWMEELI-UHFFFAOYSA-N 412.368 3.638 5 40 HHBB COc1cc(C(=O)Nc2c(C)noc2-c2ccccc2)c([N+](=O)[O-])c(OC)c1OC 95941698 LDUJPMJFOFQSTA-UHFFFAOYSA-N 413.386 3.836 5 40 HHBB O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 101483087 UXWBCBLRRHXXKI-UHFFFAOYSA-N 401.118 3.970 5 40 HHBB COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC 408571134 NSSWKSKGNDDPTO-GOSISDBHSA-N 418.450 3.842 5 40 HHBB COc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 3268313 LQWCAIGQTQIITA-UHFFFAOYSA-N 400.372 3.887 5 40 HHBB COc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] 4846304 YTBFFKSCUPBFQR-UHFFFAOYSA-N 400.431 3.588 5 40 HHBB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)no2)c([N+](=O)[O-])c1 7605451 PLJSWYOEHIGXGS-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB NC(=O)[C@@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@H]1c1ccccc1[N+](=O)[O-] 9420091 KPVCUXKOJPSNDL-YJBOKZPZSA-N 401.831 3.824 5 40 HHBB O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 23142619 JBEPOGHGFAHVTI-QGZVFWFLSA-N 403.442 3.907 5 40 HHBB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)C(=O)[C@@H]2C1 408679930 HJZQFVBXYPMWSB-IAGOWNOFSA-N 423.400 3.832 5 40 HHBB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 6629880 JECMVCKCBZRPNY-UHFFFAOYSA-N 416.503 3.572 5 40 HHBB CCCCc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 9232294 ADFSEHVJEWHGGU-SFHVURJKSA-N 424.453 3.716 5 40 HHBB CNc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] 12527267 CKUWVDNXAUZUNF-UHFFFAOYSA-N 423.469 3.876 5 40 HHBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 101127648 KLSOIPVTUNNHBD-HBMCJLEFSA-N 415.405 3.646 5 40 HHBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 225104767 BHIADVZFYNSSTD-FQEVSTJZSA-N 411.502 3.779 5 40 HHBB COCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 409129032 QKERAACDCMEZIP-MHWRWJLKSA-N 404.400 3.546 5 40 HHBB O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 3146434 XGXFTNYXWKVKBR-UHFFFAOYSA-N 413.345 3.564 5 40 HHBB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3339043 YAPMPZFMMOQRIK-UHFFFAOYSA-N 419.228 3.696 5 40 HHBB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6623147 HZBVAZKGDYFCII-LLVKDONJSA-N 403.851 3.948 5 40 HHBB NC(=O)c1ccccc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1Sc1ccccn1 15020448 OTKMPGJEWIFMBN-DHZHZOJOSA-N 420.450 3.892 5 40 HHBB O=S(=O)(c1ccccc1)N1CCN(Cc2nc3ccccc3c3ccccc23)CC1 23968406 WTRMVMMUKKOHPG-UHFFFAOYSA-N 417.534 3.895 5 40 HHBB CN1CCC(Oc2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 216930117 UGRBYJVSWUTHKJ-UHFFFAOYSA-N 403.866 3.651 5 40 HHBB COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 855152 FGBMFMFAPZBKKT-INIZCTEOSA-N 414.892 3.693 5 40 HHBB O=C(Nc1ccccc1F)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-] 2160946 FKUHWMYHEBMTKP-UHFFFAOYSA-N 401.297 3.853 5 40 HHBB O=C(/C=C/c1cccs1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3269480 GRJGVNVQHNLOMF-VMPITWQZSA-N 421.481 3.598 5 40 HHBB O[C@@H](COc1c2ccccc2nc2ccccc12)CN1CCN(c2ccccc2)CC1 5593399 PDDBLYJOBGPLMT-OAQYLSRUSA-N 413.521 3.950 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 8444024 KXBRXDYQGWFFIK-UHFFFAOYSA-N 422.309 3.673 5 40 HHBB CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCCC2 865291 RVSLEZLFMSLKDB-UHFFFAOYSA-N 420.491 3.554 5 40 HHBB CC1(C)C[C@H](n2[nH]c(=O)c3c2N=C(O)CS[C@@H]3c2ccc([N+](=O)[O-])cc2)CCO1 5862073 YBXIMSUDUZZIGS-CZUORRHYSA-N 418.475 3.639 5 40 HHBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc([N+](=O)[O-])cc1 8442432 WMMGUUXJPBEGEQ-KRWDZBQOSA-N 418.405 3.527 5 40 HHBB CCC(=O)N(c1nn(CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(=S)s1)C1CC1 24654972 YWXXRTDNUHSVMU-LLVKDONJSA-N 419.532 3.896 5 40 HHBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 36331908 ZXABMUGOSSOPLJ-AYPBNUJASA-N 417.421 3.564 5 40 HHBB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6386308 YXCWLFANECHPIR-UHFFFAOYSA-N 406.851 3.724 5 40 HHBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1C[C@H]1CCCO1 9328945 IGFABWUETBVGNT-DNVCBOLYSA-N 424.384 3.565 5 40 HHBB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 10186543 RCAPVQPYHDDPGH-UHFFFAOYSA-N 418.384 3.994 5 40 HHBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 12771060 QMTGRDYJTASBRT-UHFFFAOYSA-N 408.483 3.676 5 40 HHBB Cc1nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1I 17091200 FZUQBKJLXOCPRC-UHFFFAOYSA-N 417.590 3.809 5 40 HHBB O=c1cc(C(F)(F)F)c2ccc(Oc3ncc([N+](=O)[O-])c(NC4CC4)n3)cc2o1 26692202 XRDOEDOBUDIRKM-UHFFFAOYSA-N 408.292 3.877 5 40 HHBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1O 215026227 YEVPJGRDEQNQIT-CXUHLZMHSA-N 416.411 3.554 5 40 HHBB C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C1 5164417 YIEDCBDHYHPNLU-INIZCTEOSA-N 410.522 3.662 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)c(C)c1 58023617 BFNWTQYEXJCWKK-UHFFFAOYSA-N 418.519 3.520 5 40 HHBB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)c([N+](=O)[O-])c1 59475491 UXQMQWFNBDDQMC-UHFFFAOYSA-N 413.327 3.842 5 40 HHBB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)cc3)C(=O)[C@@H]2C1 408679927 HJZQFVBXYPMWSB-DLBZAZTESA-N 423.400 3.832 5 40 HHBB COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1Br 1041612 DLBIKUKCJINMNO-ZROIWOOFSA-N 403.188 3.710 5 40 HHBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 3286225 NKXPWHITWAUVGR-UHFFFAOYSA-N 401.378 3.651 5 40 HHBB O=C(/C=C/c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4703761 XBFGINNCHQLRGG-FMIVXFBMSA-N 420.513 3.947 5 40 HHBB COc1cc(C(=O)NC(C)(C)[C@H](C)O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 95456405 UJTXKHILNWLCGL-NSHDSACASA-N 408.838 3.938 5 40 HHBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220571418 MLVHKGOXXWSQTD-SFHVURJKSA-N 419.503 3.703 5 40 HHBB COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)c1 505489024 YNBOISYQZGJGSQ-MRXNPFEDSA-N 424.501 3.697 5 40 HHBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 6386542 WIYGZRDVTNMCCT-UHFFFAOYSA-N 400.460 3.850 5 40 HHBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009721 QCYPAJNFTRJYAD-UHFFFAOYSA-N 403.441 3.709 5 40 HHBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCNC(=O)c1ccc(F)cc1F 15179129 LOYNOQWYOXEPDW-ZDUSSCGKSA-N 405.401 3.603 5 40 HHBB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc12 26779933 GNYLLPQLVZMTPI-UHFFFAOYSA-N 413.342 3.689 5 40 HHBB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224079771 GGFQYGUDCTZPJW-SFHVURJKSA-N 423.513 3.656 5 40 HHBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc2[nH]c(O)nc2cc1Br 408533057 NZMXHIDCLICSPH-ZZXKWVIFSA-N 403.192 3.591 5 40 HHBB COc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)c([N+](=O)[O-])c1 24356744 UWSZBXXPQFFSMK-UHFFFAOYSA-N 400.435 3.639 5 40 HHBB Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1 32913112 VEZCGSIMXTXXBD-UHFFFAOYSA-N 420.849 3.803 5 40 HHBB NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 44088209 VWTVJXXDQPINJZ-UHFFFAOYSA-N 420.397 3.626 5 40 HHBB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 862086 MGZSWWQOTMGHDW-UHFFFAOYSA-N 413.459 3.613 5 40 HHBB COc1cc(-c2cc(C(=O)O)c3c(-c4cccc([N+](=O)[O-])c4)[nH]nc3n2)ccc1O 20492276 UKBFZFROBYRPTP-UHFFFAOYSA-N 406.354 3.613 5 40 HHBB COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)cc(OC)c1OC 27663454 HNBOKLSJBITHFW-UHFFFAOYSA-N 423.425 3.863 5 40 HHBB O=C1N/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 409351170 ZUZZFRVOWPBVIY-CPNJWEJPSA-N 402.410 3.538 5 40 HHBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1 3345713 GCUDQZSGWUAONU-GFCCVEGCSA-N 422.279 3.825 5 40 HHBB aggregator O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(c2ccc(F)cc2)CC1 8781162 RAERLVRSZSHHQQ-UHFFFAOYSA-N 414.315 3.988 5 40 HHBB O=C(c1ccccc1)c1ccc(N[C@H]2CCN(C(=O)c3ccccn3)C2)c([N+](=O)[O-])c1 84519318 YXDBNEHXIQGXGB-SFHVURJKSA-N 416.437 3.547 5 40 HHBB CCCCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220030818 AFDNAYQJLKSBAL-UHFFFAOYSA-N 419.503 3.651 5 40 HHBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O 408658550 JPTOYPVBRBHSLJ-OAHLLOKOSA-N 412.442 3.994 5 40 HHBB O=C(CCc1nc2ccccc2s1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3320669 NIWTUCUWRYSFRJ-UHFFFAOYSA-N 400.412 3.747 5 40 HHBB C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13522397 RHAHLQYOCJQBIQ-QMMMGPOBSA-N 417.727 3.846 5 40 HHBB O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611789 XLURWCANVKFKCT-UHFFFAOYSA-N 407.879 3.816 5 40 HHBB Cc1c(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)cccc1[N+](=O)[O-] 23106407 NHEWYOSGJGIWRI-QHCPKHFHSA-N 419.481 3.860 5 40 HHBB Nc1nc(NC(Cc2ccco2)Cc2ccco2)nc(NCc2ccco2)c1[N+](=O)[O-] 35681947 VSPOMQKMNGYZKG-UHFFFAOYSA-N 424.417 3.624 5 40 HHBB Cc1cnc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 72312891 NQZVCWJPJWOXAY-UHFFFAOYSA-N 401.806 3.907 5 40 HHBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1cccnc1Cl 5449580 VPBUXGZNRNQSLL-UHFFFAOYSA-N 401.762 3.699 5 40 HHBB Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1C 12766746 ZHVRFJZJYRPRMT-QGZVFWFLSA-N 410.474 3.501 5 40 HHBB CC(=O)CSc1nc(SCC(C)=O)c2sc3nc4ccccc4n3c2n1 17173029 FLRDGVQVRDCYBV-UHFFFAOYSA-N 402.526 3.854 5 40 HHBB Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 50534756 PLBFTYDPVIORHN-UHFFFAOYSA-N 407.517 3.566 5 40 HHBB O=C(Nc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccccc1 4044626 SNWDBPBOWXLRKD-UHFFFAOYSA-N 416.393 3.513 5 40 HHBB COCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)c(C)nc21 5067292 KYFODCWTBMQARM-UHFFFAOYSA-N 413.481 3.606 5 40 HHBB O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1CCO 6220657 MJTZVIIQSPNBOW-UHFFFAOYSA-N 411.801 3.733 5 40 HHBB C[C@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6648303 DUWHQYHYOODPNX-ZDUSSCGKSA-N 404.854 3.524 5 40 HHBB Cc1sc2ncn3c(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)nnc3c2c1C 12491030 DUBZQJCHQFESIQ-UHFFFAOYSA-N 414.472 3.595 5 40 HHBB O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@]1(O)c1cccc([N+](=O)[O-])c1 59488945 ZLOYYUXSNJOXDL-INIZCTEOSA-N 413.739 3.858 5 40 HHBB O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C[C@@H]3CCCOC3)CC2)s1 79109611 OQPWCTJLXSMNCR-KRWDZBQOSA-N 401.532 3.868 5 40 HHBB CCOc1cc(C(=O)NCCCCCC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC 95962160 NWWNGEKTZJDCKW-UHFFFAOYSA-N 410.467 3.634 5 40 HHBB C[C@@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C1 5164415 YIEDCBDHYHPNLU-MRXNPFEDSA-N 410.522 3.662 5 40 HHBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O 9353587 UXPXACRHAUOCOU-GDBMZVCRSA-N 420.208 3.503 5 40 HHBB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1 12750176 BXNGOXDMMSWDKD-OKILXGFUSA-N 404.492 3.547 5 40 HHBB Cc1ccc(NS(=O)(=O)c2ccc(NC3CCC(O)CC3)c([N+](=O)[O-])c2)c(C)c1 15208714 VPNIRNLHMWQNEB-UHFFFAOYSA-N 419.503 3.728 5 40 HHBB CCCn1c(SCc2cccc([N+](=O)[O-])c2C)nc2cc(S(N)(=O)=O)ccc21 40127536 LKOJDIIXHRYBJQ-UHFFFAOYSA-N 420.516 3.603 5 40 HHBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C 8413019 JURPRXSNTZIUPX-UHFFFAOYSA-N 413.430 3.502 5 40 HHBB COc1cc(C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c([N+](=O)[O-])cc1OC 10330456 GYJMCXNNKXCYDL-FQEVSTJZSA-N 423.469 3.798 5 40 HHBB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 32675374 BJTGNIDOUFNIMB-UHFFFAOYSA-N 415.402 3.810 5 40 HHBB O=C1[C@H]2[C@H](C(=O)N1c1cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c1)[C@H]1CC[C@H]2O1 103155520 UOTQFAQAAWCIGH-BRSBDYLESA-N 414.801 3.707 5 40 HHBB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C 225091269 PGVSKUUOWOTAJA-UHFFFAOYSA-N 406.460 3.604 5 40 HHBB CCCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)nn1 5150650 RFOHFTFGHNTVRY-UHFFFAOYSA-N 414.443 3.641 5 40 HHBB COc1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 8383259 QXMVKIBRJPYGDL-ODLFYWEKSA-N 419.418 3.634 5 40 HHBB COc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC 8710963 OKLRVTUDOFQZEH-UHFFFAOYSA-N 413.474 3.778 5 40 HHBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-] 9903519 UIPZOAHSEUXNEH-UHFFFAOYSA-N 411.439 3.956 5 40 HHBB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] 24980204 KQSITMLVWXLFLQ-UHFFFAOYSA-N 417.176 3.845 5 40 HHBB O=C1[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102715457 OBTZGXKXSUAATG-PWRODBHTSA-N 415.405 3.646 5 40 HHBB O=C1OC(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)=N/C1=C\c1ccc(Br)cc1 3101576 LIFFADASIMSJRI-RZNTYIFUSA-N 418.159 3.610 5 40 HHBB Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(-n2nc3ccccc3n2)c1 8927060 NTSUHXRTLMODGE-UHFFFAOYSA-N 419.353 3.765 5 40 HHBB Cc1ccc(-c2cc(-c3nnc(SCc4ccc([N+](=O)[O-])cc4)n3N)[nH]n2)cc1 9374737 AAMKTGDBDXCMPV-UHFFFAOYSA-N 407.459 3.558 5 40 HHBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 10475530 MGVCHCPODRVNNF-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)c2c(nc(=S)[nH]c2O)N1 3201617 DQRRZAUFTDXKCE-ZDUSSCGKSA-N 402.432 3.536 5 40 HHBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 9010164 VUQQLAGISXDFGP-UHFFFAOYSA-N 419.850 3.773 5 40 HHBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 9699887 AKYLVHIBLFGQJW-UHFFFAOYSA-N 420.352 3.892 5 40 HHBB O=C(COc1ccc(Cl)cc1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13149334 IYIRFSYDDCYKKP-UHFFFAOYSA-N 417.771 3.874 5 40 HHBB CCSc1nnc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)s1 16046105 MJEWJRSQXZNSID-MRVPVSSYSA-N 400.507 3.686 5 40 HHBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c2c1=O)CCN(C)C3 20266207 OUMGJQRBNPHMMV-UHFFFAOYSA-N 416.528 3.666 5 40 HHBB COc1cc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 40111815 BYNXYBAVKMIWKD-STQMWFEESA-N 420.487 3.979 5 40 HHBB Cc1cc(C)c(C)c(Oc2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 101847177 WFXIMDQQONVABX-JYAXBFRTSA-N 422.437 3.979 5 40 HHBB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4585459 SXQNNUGLDFRUTD-UHFFFAOYSA-N 400.394 3.855 5 40 HHBB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 7928448 BYQFJNBCLSXUJQ-INIZCTEOSA-N 411.458 3.720 5 40 HHBB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1 7939604 QKDLOJDMBWSANJ-UHFFFAOYSA-N 400.416 3.693 5 40 HHBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1 17094118 YRIPYFBEPAUTFO-UHFFFAOYSA-N 424.804 3.800 5 40 HHBB O=c1nc2c3ccccc3nc(CN3CCCCCC3)n2nc1-c1ccc(F)cc1 95469598 DNAGSUYDBISMKU-UHFFFAOYSA-N 403.461 3.820 5 40 HHBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cn2cccn2)cc1 12527266 VWJSBQMRQDEDTA-UHFFFAOYSA-N 422.488 3.716 5 40 HHBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 220388704 KXQDETBWBWVNFV-OAHLLOKOSA-N 419.503 3.820 5 40 HHBB CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222531502 PMDXEYKJNHHKSC-SFHVURJKSA-N 419.503 3.703 5 40 HHBB CCc1nc2c(c(=O)n1CCCOC)c1nc3ccccc3nc1n2-c1ccccc1 2302982 BZUZFADCGKTHEY-UHFFFAOYSA-N 413.481 3.883 5 40 HHBB COCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc21 6567081 WLIAYBFEGPOLJM-UHFFFAOYSA-N 401.444 3.750 5 40 HHBB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1 12919641 OIGSWMRWZBQUSD-JTQLQIEISA-N 423.219 3.550 5 40 HHBB CN(C)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1[N+](=O)[O-] 40081826 AIUMIDQSTBIHLQ-LJQANCHMSA-N 419.485 3.713 5 40 HHBB CCc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 72229153 LJNKTKKXSLKFQY-UHFFFAOYSA-N 402.882 3.815 5 40 HHBB CC[C@@H](C(=O)Nc1ccccc1SC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222524114 SFBVUISCIISBED-INIZCTEOSA-N 423.516 3.500 5 40 HHBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3csnn3)s2)c(Cl)c1 3104661 MYCSNJMWVKGQOF-UHFFFAOYSA-N 403.850 3.596 5 40 HHBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccn(Cc2ccccc2F)c1=O 10187801 FWDDJBXHNKRGRJ-UHFFFAOYSA-N 424.413 3.806 5 40 HHBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 223637304 KFNLUGQQQXLCFT-UXHICEINSA-N 424.482 3.605 5 40 HHBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Br)cc1 4688079 XHINRRDFSTZYBF-RUDMXATFSA-N 406.261 3.884 5 40 HHBB CCCn1nc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c2ccccc2c1=O 6636501 WOWMHFZHTIVDRN-UHFFFAOYSA-N 409.427 3.577 5 40 HHBB O=C1c2ccccc2C(=O)N1CCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 12653984 WIVQGTVFNXIXAU-UHFFFAOYSA-N 406.398 3.654 5 40 HHBB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 32115014 VOUZYIFIVGSJEQ-UHFFFAOYSA-N 401.419 3.993 5 40 HHBB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 58161746 VEKGSQZLJLIFBP-TWOQFEAHSA-N 409.486 3.961 5 40 HHBB Cc1ccc(Sc2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 103155181 HTKORJTXUQQZNO-YRXWBPOGSA-N 410.451 3.721 5 40 HHBB COc1cc(OC)c([N+](=O)[O-])cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260753061 BBEXCTUEDSFGBB-HWOJHCLVSA-N 400.460 3.596 5 40 HHBB