smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2cc3ccccc3cc12 1722557 UKUYQFXKQFWUJO-UHFFFAOYSA-N 375.427 6.420 5 40 GKBB in-vitro Cc1cc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1Cl 1787150 TZBYONHJXNMZJO-UHFFFAOYSA-N 397.258 5.316 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1ncc(-c2ccc(Cl)cc2)s1 2060144 NQOWDZFKXAYUDM-UHFFFAOYSA-N 389.863 6.390 5 40 GKBB CC(C)COc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 2198191 UYGBFWZBVWNKKM-UHFFFAOYSA-N 381.479 5.821 5 40 GKBB S=C(Nc1ccccc1)Nc1ccc2sc3nc4ccccc4nc3c2c1 33780489 WRCPHIYEZWSWTK-UHFFFAOYSA-N 386.505 5.807 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(Cl)c1)N2 408994915 HUQOFUAMUHUCSY-ILWGZMRPSA-N 376.843 5.719 5 40 GKBB Cc1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1Cl 4719472 SPTBSXHMXVRHHT-UHFFFAOYSA-N 383.839 5.167 5 40 GKBB Cc1ccc(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)o1 4174137 WIZGMQICKIDQMQ-UHFFFAOYSA-N 385.426 5.087 5 40 GKBB Cc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)C2)cc1 4402359 XHDZZNNAKUQPBX-QFIPXVFZSA-N 375.403 5.398 5 40 GKBB Cc1ccc(NC(=O)[C@H](Sc2nc(C)cs2)c2ccccc2)c([N+](=O)[O-])c1 5101349 DPYWPXMTCAJUDS-QGZVFWFLSA-N 399.497 5.140 5 40 GKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2cc3ccncc3c3ncccc23)C1 108926226 FYMCPYXDDYPTRR-QMHKHESXSA-N 390.556 5.380 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408995589 KCNCHNWLYCNVNS-NXTWQOBISA-N 396.490 6.143 5 40 GKBB c1ccc(-c2nc3ccc4c(ccc5nc(-c6ccccc6)sc54)c3s2)cc1 5553416 UYSPJRRIVHCZTO-UHFFFAOYSA-N 394.524 7.393 5 40 GKBB Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1C 6215903 HRIIQWWZXLKBDU-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB CC(C)c1ccc2oc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 226294781 ZVASCPSXWNCVRZ-UHFFFAOYSA-N 388.423 6.105 5 40 GKBB Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 409128390 FJCBXUNGLGAUEP-UHFFFAOYSA-N 396.874 6.056 5 40 GKBB COc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1Cl 9227580 WCGKGIJBZKYJGI-UHFFFAOYSA-N 397.239 5.377 5 40 GKBB Cc1noc(C[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1[N+](=O)[O-] 19872734 MQPORBWGDDOKSJ-OAHLLOKOSA-N 384.819 5.144 5 40 GKBB CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 38755699 BZADETXZRLKZKO-YHBLIXGUSA-N 386.451 5.403 5 40 GKBB COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 2557640 QOEKAXFHHHHWOU-UHFFFAOYSA-N 382.419 5.999 5 40 GKBB O=c1cc(CSc2nccc(C(F)(F)F)n2)c2c(ccc3ccccc32)o1 26478427 HIHARWXKBXDFCO-UHFFFAOYSA-N 388.370 5.047 5 40 GKBB O=C(O)CC/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2s1 33581372 BDTWMPJAUNNKOC-LUAWRHEFSA-N 388.832 5.263 5 40 GKBB CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCCCC 5420716 HAROZEMXJYDSLN-UHFFFAOYSA-N 386.448 5.205 5 40 GKBB O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)c1 9235275 PKDOHMIZCLOLKI-UHFFFAOYSA-N 376.415 6.630 5 40 GKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc(C)c1 408542941 LYOHUZPBWDPLSU-PKNBQFBNSA-N 394.427 5.348 5 40 GKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1 408554760 DEJGNIBMMJNQNV-UHFFFAOYSA-N 396.418 5.324 5 40 GKBB O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1c2ccccc2Oc2ccccc21 2145751 ZJSHUGGBBPICEZ-UHFFFAOYSA-N 395.798 5.229 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(OCc2ccccc2)c1 7668575 HHUUGUVPXBTSHA-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB Cc1ccc(COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 408605914 HHFQDJMTJFWJCH-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB CC(C)(C)c1ccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1 1749416 HGBXECWZDSLIHO-UHFFFAOYSA-N 399.450 6.295 5 40 GKBB CC1CCN(c2ccc(C(=O)Nc3cccc4ccccc34)cc2[N+](=O)[O-])CC1 6245780 MIBAYPYIFBJAEG-UHFFFAOYSA-N 389.455 5.237 5 40 GKBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6254105 WKLWDUHEFRRXNK-UHFFFAOYSA-N 392.198 5.117 5 40 GKBB CC1(C)COC(CCCCC(=O)c2cc3ccccc3c3ccccc23)OC1 43214504 COZHCQXBYBQRRM-UHFFFAOYSA-N 376.496 6.135 5 40 GKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409114857 LQWZCVSSWRIOSC-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB COc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 859874 COIKPIZMAISYEI-UHFFFAOYSA-N 399.406 5.071 5 40 GKBB COc1ccccc1Oc1nc2ccccc2nc1/C=C/c1cccc([N+](=O)[O-])c1 24522956 BLSNAPUWNFUECK-BUHFOSPRSA-N 399.406 5.509 5 40 GKBB CCCC[C@H](CC)Cn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 5478472 XFIWSGJKTJFNBS-KRWDZBQOSA-N 392.503 5.287 5 40 GKBB CCCOc1ccccc1Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 5516590 LPSPKHQEQBNSDF-UHFFFAOYSA-N 397.478 5.583 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN([C@@H]1CCCc3ccccc31)CO2 61997722 WODRETOMDXVIDU-HSZRJFAPSA-N 397.474 5.484 5 40 GKBB biogenic O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 11323190 FLEVVTZDYWUXQU-UHFFFAOYSA-N 398.365 5.039 5 40 GKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1 46086366 HCCNATSGZBDAIM-UHFFFAOYSA-N 382.416 5.389 5 40 GKBB N=c1[nH]nc(/C(=C/c2c3ccccc3cc3ccccc23)c2ccccc2)s1 408718428 XQRFCUHGZHPGPH-RCCKNPSSSA-N 379.488 5.846 5 40 GKBB Cc1ccc(Sc2ccc(/C=C3/C(=O)Nc4ccccc43)cc2[N+](=O)[O-])cc1 3368347 CTUUEQFFHYCPQP-LDADJPATSA-N 388.448 5.547 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOCc1ccccc1 5245205 UKQJRJQDGACDOO-UHFFFAOYSA-N 397.478 5.353 5 40 GKBB CCN(CC)CCNc1cc2ccccc2c2sc3ccccc3c(=O)c12 5389831 UDBKLPOPBUTLGE-UHFFFAOYSA-N 376.525 5.322 5 40 GKBB c1ccc2c(c1)N[C@@H](c1c3ccccc3cc3ccccc13)n1c-2nc2ccccc21 12523870 OKTKCNZUUHMSQL-MUUNZHRXSA-N 397.481 6.982 5 40 GKBB CCCCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 32119070 ZWCHQMNCHOKJGX-UHFFFAOYSA-N 389.864 5.453 5 40 GKBB O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2ccc(F)cc2)c1 44087121 BSQVWJRZPZVJEL-UHFFFAOYSA-N 383.448 5.621 5 40 GKBB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 223023589 OXPNQTNSBKEWHS-MRXNPFEDSA-N 383.231 5.006 5 40 GKBB O=C(O)C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ccccc2o1 7780263 LSVKGRSBTBLFEN-SDNWHVSQSA-N 390.351 5.011 5 40 GKBB O=C(O)c1cc(/C=C/c2ccoc2-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 11690607 OFLOLHVBPMMQBS-VMPITWQZSA-N 386.363 5.272 5 40 GKBB CC(C)CN(CC(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1771034 IGJQNZVMFLIFAI-UHFFFAOYSA-N 378.476 5.323 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)cc2ccccn12 3260254 FJJVUSJKAAWBCU-NRFANRHFSA-N 376.843 5.668 5 40 GKBB C[C@@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4182685 WLVQUVASTAIKQB-DNBYOKIBSA-N 383.536 5.602 5 40 GKBB Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2cc1Cl 6826363 ZDCBQYGQPVWUQX-UHFFFAOYSA-N 382.228 5.072 5 40 GKBB Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(C)cc2)cc1 13509559 SXPTZBOETZMASN-UHFFFAOYSA-N 387.486 6.715 5 40 GKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 72228878 XNUCVEWWDVZJPH-NSHDSACASA-N 397.258 5.178 5 40 GKBB CC[N+](CC)(CCOc1ccc(CC(C)(C)CC(C)C)cc1)Cc1ccccc1 4214019 DEQFVDUZSNMHQX-UHFFFAOYSA-N 396.639 6.737 5 40 GKBB in-man O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccccc2F)n1 4309922 SOZJVCRDOYUWCK-UHFFFAOYSA-N 388.423 5.952 5 40 GKBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])o2)c(-c2nc3ccccc3s2)c1C 5255664 AERURFAFKATGDO-UHFFFAOYSA-N 399.453 5.395 5 40 GKBB CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 7158821 RKCVGTPDAOHQRW-UHFFFAOYSA-N 375.428 5.394 5 40 GKBB CCC1(CC)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1 225117146 DAVNMMXGLKGJIU-QGZVFWFLSA-N 388.851 5.061 5 40 GKBB Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1C 4072646 HWYACZIFWAXSOD-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB O=[N+]([O-])c1ccc(-c2nnc(CSc3c(Cl)cccc3Cl)o2)cc1 5038049 HMYCBQAZYVAOOZ-UHFFFAOYSA-N 382.228 5.244 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2ccccc2)o1 29485362 JNYRFPHISYXVHQ-UHFFFAOYSA-N 385.379 5.169 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccccc1C 2194535 PDOLZVKTVRNDQN-UHFFFAOYSA-N 397.478 5.524 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2Cl)c1 216571991 ZJEJMIKZVAYUDF-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)sc2c1 741871 XXSGBAZNVUMHJX-UHFFFAOYSA-N 389.436 5.432 5 40 GKBB Cc1ccc(C(=O)C[C@H](SCc2ccco2)c2ccc([N+](=O)[O-])cc2)cc1 2667981 RKDPFKVYMHDABZ-NRFANRHFSA-N 381.453 5.744 5 40 GKBB Cn1c2cc3ccccc3cc2nc2cc3c(cc21)c(Cl)c(=O)c1ccccc13 5389917 OLWJVUJWXIRGGN-UHFFFAOYSA-N 394.861 6.200 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1Cl)N2 409000971 OFOQECLEJFTHFB-YUXAGFNASA-N 376.843 5.719 5 40 GKBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 33374186 NXISPJHWCYXZSO-YSZBQJHXSA-N 394.515 5.698 5 40 GKBB CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1 1541645 BRNGYAFDUAROCE-RQZHXJHFSA-N 386.559 6.141 5 40 GKBB in-vivo CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2[C@H](C)CC 2441738 LKYDWMRDDVDDNF-OAHLLOKOSA-N 391.519 5.154 5 40 GKBB Cc1c(NC(=O)CSCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 8907365 BUZGDXFXNKJSGT-UHFFFAOYSA-N 385.272 5.082 5 40 GKBB C[C@@H]1Cc2ccccc2N1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 10449660 CHKNTCXKOSJTRN-FIOICXDGSA-N 384.435 5.113 5 40 GKBB COC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])c(Sc2ccccc2)c1 169809084 DIQRSJCWDRRMNB-FQEVSTJZSA-N 379.437 5.051 5 40 GKBB CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 408621122 JUCWWZJGPKGOFX-UHFFFAOYSA-N 393.443 5.262 5 40 GKBB CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409212483 MQMHKMZTMAQTSS-ATVHPVEESA-N 386.429 5.081 5 40 GKBB Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)c2)cc1 1311253 WIUGMERSWLRNDL-UHFFFAOYSA-N 392.367 5.006 5 40 GKBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 5376405 NXISPJHWCYXZSO-OFAXGOBFSA-N 394.515 5.698 5 40 GKBB O=C(Nc1ccc(SC(F)F)cc1)c1cccc2nc3ccccc3nc12 5445490 ITABCNGPAMUYCL-UHFFFAOYSA-N 381.407 5.350 5 40 GKBB aggregator Oc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1 9233527 MKBZLZNNDXQNHF-UHFFFAOYSA-N 381.862 7.081 5 40 GKBB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 5602347 HNFWOFIWYMASTL-UHFFFAOYSA-N 380.831 5.409 5 40 GKBB Cc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 19932844 JNZAXSVYXDLSSV-FQEVSTJZSA-N 380.831 5.076 5 40 GKBB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20493085 VZTLKNZLYZZYBP-OAHLLOKOSA-N 385.272 5.411 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1CNc1ccccc1 409114144 JBPHVYQVVGKRPC-UHFFFAOYSA-N 388.345 6.018 5 40 GKBB O=[N+]([O-])c1cc(Br)ccc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250489 TUTXBWXHLSJRDB-UHFFFAOYSA-N 398.081 5.447 5 40 GKBB Cc1ccc(OCc2cc(=O)oc3ccc4ccccc4c23)c(Br)c1 6549220 KARINFDOOURGLW-UHFFFAOYSA-N 395.252 5.596 5 40 GKBB Cc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4c4cccnc34)ccc12 57758820 TUGRBDOCXNUYSU-UHFFFAOYSA-N 380.403 5.055 5 40 GKBB COc1ccccc1OCCn1c2nc3ccccc3nc2c2c(C)ccc(C)c21 5266668 ZPXKXHZPPLERSK-UHFFFAOYSA-N 397.478 5.442 5 40 GKBB O=C(Nc1ccccc1Sc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 14411383 IEMMXRXSPYOBRK-UHFFFAOYSA-N 384.844 5.652 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc3ccccc13)N2 408997768 SUHCWRDXYDFBEI-AYRHNUGRSA-N 392.458 6.219 5 40 GKBB Cc1cc(C)cc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c1 5024642 MUSCTVBRBAKXTB-UHFFFAOYSA-N 395.422 5.161 5 40 GKBB Cc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)o1 6504036 QZANAKHEKMNRCR-UHFFFAOYSA-N 388.379 5.068 5 40 GKBB CC(C)n1ncc2c(C3=Cc4ccccc4OC3)c3oc4cc(O)ccc4c3nc21 96113958 NRGXFASZBPQCNB-UHFFFAOYSA-N 397.434 5.550 5 40 GKBB biogenic CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 248303981 LMAZZPFMLPSWFB-OAHYMWEZSA-N 392.455 5.068 5 40 GKBB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)C1 4519728 KDOMNVROFXAFFA-KBPBESRZSA-N 388.851 5.159 5 40 GKBB c1ccc(-n2c3ccc4ccccc4c3c3ccc4c5ccccc5[nH]c4c32)cc1 221747246 AEKRDATYZJNXAK-UHFFFAOYSA-N 382.466 7.571 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc3c(c2)OCO3)nc1-c1ccccc1 860667 SMKBYQAHFJPUAE-UHFFFAOYSA-N 399.406 5.356 5 40 GKBB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 6240741 RDUNWNCUONDVMO-UHFFFAOYSA-N 379.121 5.173 5 40 GKBB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2c(ccc3ccccc32)oc1=O 12062402 CHMMXEGTDPJBJT-UHFFFAOYSA-N 384.218 5.505 5 40 GKBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(-c2ccc(Cl)cc2)n1 408583152 RXTWBTZDPWJVNU-UHFFFAOYSA-N 399.859 5.367 5 40 GKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1cccc(Cl)c1Cl)C3 2120883 WPAGBKDRMZIAPW-UHFFFAOYSA-N 398.245 5.610 5 40 GKBB biogenic CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc2ccccc12 4471829 CONKPABEKSWEDJ-DQRAZIAOSA-N 375.453 5.530 5 40 GKBB Cc1ccccc1OP(=O)(Nc1ccc([N+](=O)[O-])cn1)Oc1ccccc1C 4823465 LDQOUYBMAMPLMM-UHFFFAOYSA-N 399.343 5.285 5 40 GKBB COc1ccccc1OCCn1c2nc3ccccc3nc2c2cc(C)cc(C)c21 95946510 GZAKWWPUMFFTKI-UHFFFAOYSA-N 397.478 5.442 5 40 GKBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 408573971 UHWBOUGKMDLAAQ-FQEVSTJZSA-N 396.516 5.118 5 40 GKBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 9190317 GGHNRBFFUBGXDQ-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc2ccccc2c1 1308051 CPBXJAMOLQHKSE-UHFFFAOYSA-N 393.402 6.151 5 40 GKBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1[N+](=O)[O-] 1509755 VJSFILHSXAPWOA-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB CCCCCOc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 1825912 ZKZLKHZJKYFUPE-UHFFFAOYSA-N 395.506 6.355 5 40 GKBB CCCCOc1ccccc1Cn1c2nc3ccccc3nc2c2cccc(C)c21 2195423 MVIIIOCINAPZQL-UHFFFAOYSA-N 395.506 6.273 5 40 GKBB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 3180136 BNKOJIOOYANVOS-UHFFFAOYSA-N 394.239 5.277 5 40 GKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2c1 46086420 JYBIKPWPJOQVQQ-UHFFFAOYSA-N 382.416 5.389 5 40 GKBB CN(C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)c1ccccc1 104578902 CFBRAFXQAVKWSH-UHFFFAOYSA-N 383.480 5.098 5 40 GKBB COc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 205752356 RFWYNSPIRPWPNM-NRFANRHFSA-N 376.412 5.030 5 40 GKBB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc([N+](=O)[O-])c1 948611 YEGHZYBSVOVCKP-UHFFFAOYSA-N 385.807 5.025 5 40 GKBB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 6586656 SLYOHZXMKNGXTE-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB Cc1nn2c(c1-c1ccccc1)N=C(c1cccc([N+](=O)[O-])c1)C[C@@H]2c1ccco1 8570231 UFFSDPGGVSCTNV-HXUWFJFHSA-N 398.422 5.474 5 40 GKBB COc1ccc(C)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 57476824 JPRGGVRMKPJISC-HMMYKYKNSA-N 388.423 5.091 5 40 GKBB O=C(OCc1ccccc1)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 16771616 JMRRKJLYZYJXPN-LHHMWQFHSA-N 391.467 5.176 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 408994968 KASUQSNGBBXBDF-CQTZQYROSA-N 388.389 5.910 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Nc1ccccc1)c1ccccc1 5939020 AAFFJLKBTXPPIY-LJQANCHMSA-N 381.819 5.040 5 40 GKBB Cc1cc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)ccc1C(C)C 226072679 MUUMNMYJCUNMMG-DEOSSOPVSA-N 396.595 5.449 5 40 GKBB O=[N+]([O-])c1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 5626251 PKBSWSHIWDZTNJ-UHFFFAOYSA-N 396.878 5.018 5 40 GKBB CCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 9139486 DPTWERWKIZBCDY-UHFFFAOYSA-N 388.880 5.209 5 40 GKBB Cc1ccccc1[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 30866060 ZQCTZXBQKLLEMD-HXUWFJFHSA-N 380.831 5.076 5 40 GKBB CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc2ccccc2c2cccnc12 95350682 QAKNBADZOQHZPG-UHFFFAOYSA-N 376.406 5.329 5 40 GKBB Cc1cc(C)cc(N(C(=O)c2ccc([N+](=O)[O-])o2)c2nc3ccccc3s2)c1 3271955 CSSSMFLDYHQSPR-UHFFFAOYSA-N 393.424 5.393 5 40 GKBB O=[N+]([O-])c1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716530 FJNDYZVORTVWMR-RPWUZVMVSA-N 382.419 5.518 5 40 GKBB O=C(Nc1ccccc1Cl)c1ccc2sc3nc4ccccc4nc3c2c1 408977205 VWNIOEVUXMVGAH-UHFFFAOYSA-N 389.867 5.903 5 40 GKBB Cc1ccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C 409000361 YRGHYOJKUSSURW-UHFFFAOYSA-N 381.439 5.525 5 40 GKBB Cn1c(-c2cnn(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)nc2ccccc21 6589182 UTCNPYSBWWAOEL-UHFFFAOYSA-N 395.422 5.001 5 40 GKBB Clc1cccc(Cl)c1Cn1c2ccccc2c2nc3ccccc3nc21 1906968 FQCJRLTWPLPMAQ-UHFFFAOYSA-N 378.262 6.093 5 40 GKBB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 2737118 RLORQOWJIFNRSS-UHFFFAOYSA-N 394.858 5.200 5 40 GKBB COc1cc(CNc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 8113571 JTOKYCGXZMPZPA-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB O=[N+]([O-])c1c(N2CCC(c3nc4ccccc4s3)CC2)ccc2ncccc12 59121518 LRJDMLVLTOEYBX-UHFFFAOYSA-N 390.468 5.137 5 40 GKBB O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)Nc1ccccc1[N+](=O)[O-] 100919581 DECMOPXKWHOEAY-RDNZODCXSA-N 390.483 5.462 5 40 GKBB CC(C)c1ccc(/C=C/C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 1945797 DYWXXZYBLVHPNB-DHZHZOJOSA-N 393.468 5.494 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(OC(C)C)cc1 5516086 PDPRYOOFHMKWRK-UHFFFAOYSA-N 397.478 5.582 5 40 GKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2c(Cl)c(Cl)ccc2s1 6494407 WSMYRHZQQUCJCI-QPJJXVBHSA-N 394.239 5.163 5 40 GKBB COC(=O)/C=C\C=C(C)/C=C\C=C(C)/C=C\C=C(C)\C=C/C=C(C)/C=C\C(=O)O 104382951 PETQSXXQDKKRJS-OJLNVUTBSA-N 394.511 5.810 5 40 GKBB O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc2ccccc2c1 408973893 CFVVTCODDHBOMP-UHFFFAOYSA-N 389.414 5.637 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccccc1Cl)CO2 2159716 QLAKRKPYJOUWMD-UHFFFAOYSA-N 377.827 5.265 5 40 GKBB biogenic CC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1 7848078 YVKIELLECXWVNS-UHFFFAOYSA-N 383.407 5.435 5 40 GKBB C[C@@H](NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 32795005 YDVFPUDLTBIWAD-CHWSQXEVSA-N 395.381 5.077 5 40 GKBB Cc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 4917442 IWFYHXDGJMJXNE-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2CC3)cc1 2267072 WODWURSIAKPFDU-UHFFFAOYSA-N 378.431 6.089 5 40 GKBB CC(C)(C)c1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 3182143 XDFUESAGJRWTOT-UHFFFAOYSA-N 399.447 5.350 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@@H]21 12656852 ABSHAPYWJDXNFP-HNRDJRCMSA-N 382.612 5.829 5 40 GKBB biogenic O=[N+]([O-])c1ccc(NCc2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 408608136 MSIDAVDMSCEMFG-UHFFFAOYSA-N 391.858 5.863 5 40 GKBB O=C(NCc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408908693 XXHMZFJSNSEFGP-KGENOOAVSA-N 392.842 5.105 5 40 GKBB CCc1ccc2c(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)sc2c1 2759768 ZSIIXLZMAADESN-UHFFFAOYSA-N 395.267 5.931 5 40 GKBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1[N+](=O)[O-] 5705047 HATBVTTYUZNUKO-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB C[C@H]1CN(C(=O)c2ccccc2)O[C@H](c2c3ccccc3cc3ccccc23)O1 708791 FCIFTQKVZPMRPF-SSOJOUAXSA-N 383.447 5.484 5 40 GKBB Cc1ccc(C(=O)C[C@@H](SCc2ccco2)c2ccc([N+](=O)[O-])cc2)cc1 844665 RKDPFKVYMHDABZ-OAQYLSRUSA-N 381.453 5.744 5 40 GKBB O=[N+]([O-])c1cccc(/C=C(/Sc2ccccc2)c2nc3ccccc3s2)c1 4419751 PQUBXLZPLQHLRP-XSFVSMFZSA-N 390.489 6.495 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 7687159 KBPPUJAVWXMVPB-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB CCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nc2ccccc21 12648548 QFUIVQPIWMKHSD-UHFFFAOYSA-N 386.476 5.608 5 40 GKBB O=[N+]([O-])c1cc(/C=C2/SC(=S)N=C2O)ccc1SC1CCCCC1 2570914 SHSOLTGELRGKFN-NTEUORMPSA-N 380.516 5.349 5 40 GKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 6595688 IOISWSQCTHTQGS-HXUWFJFHSA-N 395.798 5.029 5 40 GKBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCCc2ccccc21 13613842 IWNPVGOQMUYGMI-OQKWZONESA-N 384.435 5.115 5 40 GKBB O=[N+]([O-])c1cc(Cl)c(-c2ccc(-c3nc4ccccc4s3)o2)cc1Cl 409191844 OQPRNJLVYZYMTQ-UHFFFAOYSA-N 391.235 6.438 5 40 GKBB CCCCn1cc(OC(=O)CCC)c2c1nc(CCC)n1c3ccccc3nc21 5516498 PIUGDWJZLAROSC-UHFFFAOYSA-N 392.503 5.295 5 40 GKBB O=c1c2ccccc2c2c3c1cccc3c1cccc3c(=O)c4ccccc4c2c31 1555810 CJADAVIATOALFB-UHFFFAOYSA-N 382.418 6.202 5 40 GKBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)c1 408577373 ZCLDFHSJHIIXHT-HXUWFJFHSA-N 396.516 5.118 5 40 GKBB Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1045083 HBSFQQKLTZDQKW-NRFANRHFSA-N 378.453 5.283 5 40 GKBB Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 6215883 VPQYYPPEBGCOKG-ZDUSSCGKSA-N 387.867 5.045 5 40 GKBB CC(C)c1ccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229136 BCAGWMMFOJTPPC-UHFFFAOYSA-N 387.867 5.224 5 40 GKBB O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408624153 URYSOUZXDOIMCR-UHFFFAOYSA-N 392.798 5.914 5 40 GKBB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc([N+](=O)[O-])o1 2339769 MHCIYPCPVBEOEN-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl 225538666 KKNHQDIOOXJVKL-UHFFFAOYSA-N 388.851 5.097 5 40 GKBB O=[N+]([O-])c1cccc(-c2cs/c(=N\c3ccccc3)n2C2CCCCC2)c1 16739948 GCUWVZYEFIOVRC-DQRAZIAOSA-N 379.485 5.862 5 40 GKBB CC1(C)[C@H]2CC[C@H](C2)[C@H]1C[C@H]1OC[C@@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 59662732 FPLFYPVTBGXHRG-VUXRACJTSA-N 398.611 5.391 5 40 GKBB c1ccc2c(c1)Sc1ccccc1[N+]2=c1ccc2nc3ccccc3sc-2c1 5567601 RZDGTLREEMRTRG-UHFFFAOYSA-N 395.532 6.301 5 40 GKBB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)C1 16184083 KDOMNVROFXAFFA-OKILXGFUSA-N 388.851 5.159 5 40 GKBB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)oc2c1 20808374 OJKVLDUKNGUBQL-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccc(Cl)c1Cl 23489976 IAZXRGMNAPKLEH-LLVKDONJSA-N 399.299 5.041 5 40 GKBB CC(C)[C@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 33374188 NXISPJHWCYXZSO-NMNUPHIUSA-N 394.515 5.698 5 40 GKBB O=[N+]([O-])c1ccc(Oc2ccccc2-c2nc3ccccc3s2)c([N+](=O)[O-])c1 213894436 PQDGCYGDSUKSPQ-UHFFFAOYSA-N 393.380 5.572 5 40 GKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)C1 408975203 JCMYWWKBBNFLQQ-IVCQMTBJSA-N 398.510 5.305 5 40 GKBB CC(C)(C)c1ccc(-c2nn3cc(-c4cccc([N+](=O)[O-])c4)nc3s2)cc1 4663904 NTSOGWBKEGJAPT-UHFFFAOYSA-N 378.457 5.331 5 40 GKBB COc1ccc(OCCCn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 5017205 NTENPSIXNUQGSY-UHFFFAOYSA-N 397.478 5.524 5 40 GKBB O=[N+]([O-])c1cccc(NCc2ccccc2OCc2cccc3ccccc23)c1 408559309 VCRORWHLPLUBHH-UHFFFAOYSA-N 384.435 5.939 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1c(Cl)nsc1-c1ccccc1Cl 4287844 NCLZFMFNWIXYBW-UHFFFAOYSA-N 394.239 5.277 5 40 GKBB Cc1ccc(COc2ccc3ccccc3c2CNc2cccc([N+](=O)[O-])c2)cc1 408556311 JNWLATCDOXAALW-UHFFFAOYSA-N 398.462 6.248 5 40 GKBB C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408629202 POPYAWRWEQQKLU-KXCGHJCSSA-N 399.878 5.279 5 40 GKBB CCOc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 4543522 ZLQCRYZLFSTENA-UHFFFAOYSA-N 375.471 7.121 5 40 GKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC(C)C 225507682 ZMPPIONHIPSJBD-UHFFFAOYSA-N 382.460 5.141 5 40 GKBB CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)O 2389746 JDYATIJHVFTYFG-LJQANCHMSA-N 389.451 5.104 5 40 GKBB O=[N+]([O-])c1cccc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 100415246 ZTQYNTGVQCHUOU-JOCHJYFZSA-N 386.432 5.845 5 40 GKBB COc1ccc(-c2noc(-c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)n2)cc1 8586887 YMTOKQLEVNEFJM-UHFFFAOYSA-N 394.431 5.065 5 40 GKBB CCc1ccc(-c2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)cc1 8851401 IHODKQOWUBBOHO-UHFFFAOYSA-N 381.457 5.150 5 40 GKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(C(=O)O)cc1 952237 LRNXCENIDVIXPW-UHFFFAOYSA-N 386.407 5.007 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1685961 XYIMKEWHMSQUDE-UHFFFAOYSA-N 396.199 5.333 5 40 GKBB CCC(=O)Oc1cn(C2CCCCC2)c2nc(CC)n3c4ccccc4nc3c12 8465015 PKKZWTAFNGLQPE-UHFFFAOYSA-N 390.487 5.220 5 40 GKBB O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)c1 4898219 HRKHCDOBIWTWJM-NRFANRHFSA-N 377.831 5.604 5 40 GKBB O=[N+]([O-])c1cc(NC(=S)Nc2ccc(Cl)cc2Cl)ccc1Cl 13812089 SHZNTQWHQQJODU-UHFFFAOYSA-N 376.652 5.364 5 40 GKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Cl)c1 409179663 TZKBNNWMQVQRKJ-UHFFFAOYSA-N 383.787 5.398 5 40 GKBB CC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 868215 RQIWZRSABYFQSL-UHFFFAOYSA-N 375.380 5.129 5 40 GKBB C[C@@]1(c2ccccc2)CCN2CC[C@@](C)(c3ccccc3)c3cc([N+](=O)[O-])cc1c32 4181169 ARFDAFPFUOXGEM-UIOOFZCWSA-N 398.506 5.821 5 40 GKBB CC1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 408628794 ALLZIJKIORSBFO-VMPITWQZSA-N 399.878 5.136 5 40 GKBB O=C(CCc1ccccc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 4179401 PLOAMOZUSUKYOZ-UHFFFAOYSA-N 378.453 5.317 5 40 GKBB NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)cc2c(=O)c3ccccc3[nH]c12 5546055 FXFYQDVEEFEZDV-UHFFFAOYSA-N 390.442 5.114 5 40 GKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1Cc1ccccc1 43333994 FXNRVFMLJWGVJC-QGZVFWFLSA-N 389.455 5.411 5 40 GKBB C[N+](C)(C)c1ccc([C@H](/C=C2\C=Cc3ccccc3[N+]2(C)C)c2ccccc2)cc1 68564247 FNRWCJGBIZZITI-QBGJMPKQSA-N 396.578 6.193 5 40 GKBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3N[C@@H](C(Cl)(Cl)Cl)C2)cc1 4277071 HBEYKTBYZQBIQP-OAHLLOKOSA-N 384.650 5.270 5 40 GKBB CC[C@H](C)c1ccccc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8132375 SHQTYFPXPTXNMF-INIZCTEOSA-N 381.476 5.351 5 40 GKBB O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408622413 QAFNBOBLLOKZTD-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=[N+]([O-])c1ccc2c3c(cccc13)C/C2=C/c1ccc(OCc2ccccc2)cc1 2027545 SKAQHYUEDOVKMV-QNGOZBTKSA-N 393.442 6.424 5 40 GKBB Clc1ccc(-c2nn3c4cc(N5CCCC5)ccc4nc3c3ccccc23)cc1 4622452 BLLFXJNYIVLDPM-UHFFFAOYSA-N 398.897 5.956 5 40 GKBB O=C(O[C@]1(c2ccccc2)C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 100475260 NKRYLCNOHSETBE-PDZUXIDASA-N 377.440 5.103 5 40 GKBB C[N+]1(CCCCCCCCCCCOC(=O)Nc2ccccc2)CCCCC1 4184322 NTNCWLXXSMPRHC-UHFFFAOYSA-O 389.604 6.377 5 40 GKBB Cc1cccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409110354 VBGQRUIMQDDQIU-UHFFFAOYSA-N 379.372 5.216 5 40 GKBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 701871 YJJIXBKFIIGXBV-PCCBWWKXSA-N 377.827 5.628 5 40 GKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(F)cc1Cl 3514196 MFCGKWCEJVWAEZ-UHFFFAOYSA-N 382.774 5.096 5 40 GKBB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 12910359 NLICEENAJOUXTB-UHFFFAOYSA-N 399.859 5.113 5 40 GKBB Cc1cccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)c1 72229100 KROXXPDVZKEEBT-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB Cc1ccc(C)c(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 409117412 LUROJCCBRLHGCS-UHFFFAOYSA-N 393.399 5.524 5 40 GKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(C(F)(F)F)cc1 4744048 YIVHFJRGAMYGEJ-UHFFFAOYSA-N 399.393 5.686 5 40 GKBB Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccccc23)cc1 4970026 HFNDEHZTLWCQDH-UHFFFAOYSA-N 380.407 5.457 5 40 GKBB O=[N+]([O-])c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)s1 16488070 XLBGCVLDIOTAKK-UHFFFAOYSA-N 378.478 6.855 5 40 GKBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)NC1CCCCC1 408995076 IMZKOJKXUPYXGO-UHFFFAOYSA-N 376.485 5.452 5 40 GKBB Cc1c(Cl)cccc1NCc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409115772 HCUNFSUGIAUFKG-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB Cc1noc(/C=C/c2cn(CCOc3ccccc3)c3ccccc23)c1[N+](=O)[O-] 4709229 ZMWUVHFRUQGXIL-VAWYXSNFSA-N 389.411 5.095 5 40 GKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 41007292 GUYNYILHFRBPGJ-UHFFFAOYSA-N 395.596 5.009 5 40 GKBB O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCc1ccccn1 65474300 SIGUAKRDIQMOBX-UHFFFAOYSA-N 392.458 5.258 5 40 GKBB O=C(CSc1ccc(Cl)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409411309 FUEWQZKFFLBXLL-UHFFFAOYSA-N 391.663 5.286 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)s2)cs1 4079339 RMIYBPCILDWTJZ-UHFFFAOYSA-N 380.838 5.077 5 40 GKBB CCc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 5471635 NNJFGVHQBUCPSC-UHFFFAOYSA-N 387.395 5.218 5 40 GKBB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409115527 JOMPZMZWSQZFSK-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB CCCC1CCC(c2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)CC1 2025566 YWXRPDIOLUZOHO-UHFFFAOYSA-N 391.471 6.386 5 40 GKBB CCN(c1ccccc1)c1nc(C)c([N+](=O)[O-])c(N(CC)c2ccccc2)n1 5006146 AAADNRBYOHEIQS-UHFFFAOYSA-N 377.448 5.009 5 40 GKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Cl)ccc1Cl 6471800 DSICAJTZRJRETM-UHFFFAOYSA-N 394.239 5.277 5 40 GKBB CC(C)c1ccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12527860 YFYKXZWHHTXQPL-GOSISDBHSA-N 398.506 5.156 5 40 GKBB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc([N+](=O)[O-])c1 994367 CBWADWFWIKRDPK-UHFFFAOYSA-N 392.198 5.117 5 40 GKBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3N[C@H](C(Cl)(Cl)Cl)C2)cc1 4277070 HBEYKTBYZQBIQP-HNNXBMFYSA-N 384.650 5.270 5 40 GKBB O=C(O)c1ccccc1-c1c2ccc3ccccc3c2cc2ccc3ccccc3c12 1615632 YQGZACMCBCKUDG-UHFFFAOYSA-N 398.461 7.665 5 40 GKBB CC[N+](C)(C)CCCCCCCC[N+](CC)(CC)Cc1cc2ccccc2o1 4425966 TUYJRISUZDBMNJ-UHFFFAOYSA-N 388.640 6.226 5 40 GKBB Cc1ccc(-c2nc(N3CCCCC3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 36293474 PCFSMNDDKJLSGI-UHFFFAOYSA-N 379.485 5.684 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccccc1Cl)CO2 54278206 ZVCAYRDYLUAGHV-UHFFFAOYSA-N 391.854 5.260 5 40 GKBB biogenic Cc1ccc(Cl)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294399 CRPZLWNKWSBQPM-UHFFFAOYSA-N 381.240 5.677 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc(Br)c1)N2 408997106 RCYPTBYXWJQTJP-ROILNYFKSA-N 399.288 5.654 5 40 GKBB O=[N+]([O-])c1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1594235 ILMUODPKCQIMHQ-UHFFFAOYSA-N 381.435 5.932 5 40 GKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(Cl)c(Cl)c1)C3 2119939 ZQEDSFNMBWXJIF-UHFFFAOYSA-N 398.245 5.610 5 40 GKBB biogenic CC(=O)c1cccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])c1 2333548 NQCBEMVUMWHROO-UHFFFAOYSA-N 385.379 5.200 5 40 GKBB CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCC1 79191096 KWCXAIXYNOBJHR-UHFFFAOYSA-N 379.460 5.033 5 40 GKBB biogenic CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1cccc2ccccc12 252667068 CONKPABEKSWEDJ-UHFFFAOYSA-N 375.453 5.530 5 40 GKBB CCCN(CCC)c1ccc2nc3c(C)cc(N(CC)CC)cc3[s+]c2c1 5488349 DTNGEAQLJUZPEJ-UHFFFAOYSA-N 382.597 6.512 5 40 GKBB COc1ccc(-c2cnc3c4ccccc4c(=O)n4c5ccccc5c2c34)cc1 6624576 DAEHREHEUNUIHD-UHFFFAOYSA-N 376.415 5.268 5 40 GKBB biogenic O=c1oc2c3c(ccc2c2ccccc12)OCN([C@@H]1CCCc2ccccc21)C3 20610235 UELVXYIUCDRHML-JOCHJYFZSA-N 383.447 5.176 5 40 GKBB biogenic Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)c(C)c1 1518585 DZGQJCMLQNFIRQ-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB Cc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)cc1 72229103 KYOXSMZAFWRRBV-CQSZACIVSA-N 387.867 5.188 5 40 GKBB Cc1c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cccc1[N+](=O)[O-] 59960961 WZIUFFPUUHYNTO-UHFFFAOYSA-N 390.483 5.623 5 40 GKBB Cc1ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12 5390477 APONJQVTYXVQAO-FXAWDEMLSA-N 392.568 5.400 5 40 GKBB Cc1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cc1[N+](=O)[O-] 409105829 PALKFGYJXRBSIA-ODLFYWEKSA-N 378.409 5.249 5 40 GKBB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)ccc1[N+](=O)[O-] 4680002 ZGMBHXHDFSNQCZ-UHFFFAOYSA-N 389.436 5.432 5 40 GKBB COC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])c(Sc2ccccc2)c1 169809086 DIQRSJCWDRRMNB-HXUWFJFHSA-N 379.437 5.051 5 40 GKBB O=[N+]([O-])c1ccc(NCc2cn(Cc3ccccc3F)c3ccccc23)cc1 408611593 UEOKTMMKIHJNHC-UHFFFAOYSA-N 375.403 5.349 5 40 GKBB O=C(Nc1cccc2ccccc12)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408926587 UUBYOARVCDOMAU-HAVVHWLPSA-N 394.430 5.927 5 40 GKBB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 6451059 XKJQWSPIYNTMGW-UHFFFAOYSA-N 397.434 5.625 5 40 GKBB CCCCN[C@@H](c1ccc(C[N+]2(C)CCCC2)cc1)C(Cl)(Cl)Cl 31938747 ICRDTKFMRSTKPY-KRWDZBQOSA-N 378.795 5.228 5 40 GKBB Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccc3ccccc3c2n1 40384497 SXJQBXNKVAYYST-UHFFFAOYSA-N 398.487 5.650 5 40 GKBB Cc1sc(Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 67322064 AMANILHFBAGRKS-UHFFFAOYSA-N 390.262 5.533 5 40 GKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 408556402 KHDIUFXAMWZJIW-UHFFFAOYSA-N 396.418 5.324 5 40 GKBB CCCCN(CCCC)C[C@@H](O)c1cccc2c1cc(Cl)c1ccccc12 5973448 AARXGFKNAGIZLN-XMMPIXPASA-N 383.963 6.582 5 40 GKBB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2c3ccccc3cc3ccccc23)S1 222569134 SNDMOXQBTGIDPK-GHEQTVGYSA-N 395.531 5.977 5 40 GKBB CC(C)(C)CC(C)(C)NC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408975703 LUMJVXKKBAJZSM-UHFFFAOYSA-N 391.540 5.942 5 40 GKBB Oc1nc(-c2c3ccccc3cc3ccccc23)nc2sc3c(c12)CCCCC3 409004581 XPXOFRQYUWAVJI-UHFFFAOYSA-N 396.515 6.639 5 40 GKBB O=C1N/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1c1cccc(Cl)c1 409063793 DSRVVGOUEJPZQP-HYARGMPZSA-N 398.849 5.744 5 40 GKBB CCCCN(CCCC)CCCC[C@H](O)c1cc2ccccc2c2ccccc12 1592017 CLKYKEBGXBMHSU-MHZLTWQESA-N 391.599 7.099 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1nc2c(s1)CCc1ccccc1-2 2964223 WQBJFKHWEUJIQY-UHFFFAOYSA-N 381.456 5.835 5 40 GKBB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 15203588 SCJQESKUHRFELM-GOSISDBHSA-N 388.851 5.014 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccccc1 2349547 OPLKFMABQGJLLG-UHFFFAOYSA-N 383.451 5.215 5 40 GKBB c1ccc(-c2nc3sc4nc5ccccc5nc4n3c2-c2ccccc2)cc1 13284525 GEQUOYHEAKVSOB-UHFFFAOYSA-N 378.460 5.826 5 40 GKBB C[N+](C)(C)Cc1c(C(O)(c2ccccc2)c2ccccc2)ccc2ccccc12 4975103 XTERVTJYAJIPGI-UHFFFAOYSA-N 382.527 5.330 5 40 GKBB O=c1cc(CSc2nnc(C3CC3)n2C2CC2)c2c(ccc3ccccc32)o1 7903260 SICVBZOOLIJSNE-UHFFFAOYSA-N 389.480 5.042 5 40 GKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 5165929 TULFRNQOVUCJAA-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccc2ccccc2c1 5437148 KSMCQCYURFSVKZ-UHFFFAOYSA-N 396.398 5.067 5 40 GKBB COc1ccc(-c2csc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)n2)cc1 3218460 XLSNCTBQKRCXAT-UHFFFAOYSA-N 395.465 5.517 5 40 GKBB c1ccc(-c2cc(-c3ccc4c(ccc5ccccc54)n3)nc3ccccc23)cc1 8649133 NSCKHDOZFLDWIU-UHFFFAOYSA-N 382.466 7.270 5 40 GKBB O=C(Nc1ccc(Br)c(Cl)c1)c1coc2ccc([N+](=O)[O-])cc12 408967131 PYOJXYUKTJHDJZ-UHFFFAOYSA-N 395.596 5.009 5 40 GKBB CN(C)c1ccc([C@]2(Cl)c3ccccc3N(C)c3ccc([N+](=O)[O-])cc32)cc1 4522510 JRTKCQUIHQNKSO-QFIPXVFZSA-N 393.874 5.273 5 40 GKBB O=c1c2ccccc2c2nc3c(c(-c4ccc(F)cc4)c12)c(=O)c1ccccc13 3178262 UREWFNUUPBCNFJ-UHFFFAOYSA-N 377.374 5.097 5 40 GKBB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6321750 XTODKQHHJBVYGE-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB Cc1c(NC(=O)c2ccccc2SCc2ccccc2)cccc1[N+](=O)[O-] 10338683 XPXPGVISBKNAGE-UHFFFAOYSA-N 378.453 5.448 5 40 GKBB O=[N+]([O-])/C=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 107642655 IVICOKVVNMWKLD-MDZDMXLPSA-N 384.229 5.429 5 40 GKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CSc2ccccc2)cc1 409138178 YPCCPTDLVUHRNF-UHFFFAOYSA-N 394.452 5.148 5 40 GKBB Cc1ccc([N+](=O)[O-])c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C 6426478 IMCCBQIZCKNCAI-UHFFFAOYSA-N 395.267 5.985 5 40 GKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(Cl)cc1Cl)C3 2125458 HOWQPOAPLJEDPK-UHFFFAOYSA-N 398.245 5.610 5 40 GKBB biogenic Cc1ccc(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)cc1 6479687 VEYFUANSNBTJGA-UHFFFAOYSA-N 376.412 5.043 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cn(-c2ccccc2)nc1-c1ccccc1 26780058 TVAKVCZHOZFCDT-UHFFFAOYSA-N 399.410 5.092 5 40 GKBB Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl 408906844 JAOJARGLVMPHET-DEDYPNTBSA-N 392.842 5.736 5 40 GKBB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 409121721 VTDLAZYFSROOOC-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB O=[N+]([O-])c1ccccc1SC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 721732 BNGQYJOMYMFMEZ-FBMGVBCBSA-N 394.496 5.108 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(C)cc1 5021851 IYZPBGDQRPIZIB-UHFFFAOYSA-N 397.478 5.524 5 40 GKBB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4697633 VOMFOUDELWGIPC-QFIPXVFZSA-N 386.451 5.156 5 40 GKBB O=C(O)c1cc(-c2cc3c(cc2Cl)OCO3)nc2ccc3ccccc3c12 5904596 CGLBCYVXGQSBQG-UHFFFAOYSA-N 377.783 5.135 5 40 GKBB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc([N+](=O)[O-])c1 677510 GBMDXUCWYWNWNF-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Br 5679171 SXLCWIVJGJEHEY-UHFFFAOYSA-N 378.222 5.008 5 40 GKBB O=c1c2ccccc2c2nccc3c4cc(OCc5ccc(F)cc5)ccc4n1c32 6624608 WRQHWKDBLPVGMQ-UHFFFAOYSA-N 394.405 5.310 5 40 GKBB biogenic COc1ccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 15836925 RBVNERPDMZVXIP-FQEVSTJZSA-N 378.428 5.201 5 40 GKBB Cc1noc(/C=C\c2ccc(OCc3cccc4ccccc34)cc2)c1[N+](=O)[O-] 107958027 HXZYDDSXBGJISY-KAMYIIQDSA-N 386.407 5.794 5 40 GKBB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 245380264 VFNOCZDRPAHBAQ-ISKFKSNPSA-N 399.450 5.320 5 40 GKBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 408620623 HWTYAZLNQTYBQI-UHFFFAOYSA-N 389.622 5.124 5 40 GKBB Cc1cc(C)c(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c(C)c1 6151949 VYMHVMPSRPRYOC-UHFFFAOYSA-N 381.476 5.153 5 40 GKBB Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C 409111777 CCUDJSQCKCSWJR-UHFFFAOYSA-N 396.874 6.056 5 40 GKBB CCCN(Cc1ccccc1)C(=S)Nc1ccc2cc3ccccc3nc2c1 409188198 BQHFGJRGUYSMMR-UHFFFAOYSA-N 385.536 5.997 5 40 GKBB O=C1N/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccccc1 409204301 DYJUUTSHRZXGMW-HZHRSRAPSA-N 378.431 5.086 5 40 GKBB CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409205855 PLKPHZOMGZGPNQ-UHFFFAOYSA-N 396.418 5.324 5 40 GKBB COc1ccc2c(c1)c(=O)oc1cc3occ(-c4ccc5ccccc5c4)c3cc12 2442918 QFTTXYAQBHOXJC-UHFFFAOYSA-N 392.410 6.521 5 40 GKBB biogenic O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2ccc(Cl)cc2)c1 44087602 MRPDKORWIIWAOD-UHFFFAOYSA-N 399.903 6.136 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ccc(Cl)cc1 4322630 JDTPMXGCFJOFDD-UHFFFAOYSA-N 378.715 5.326 5 40 GKBB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)C1 4519730 KDOMNVROFXAFFA-ZIAGYGMSSA-N 388.851 5.159 5 40 GKBB C[C@H]1CN(C(=O)c2ccccc2)O[C@@H](c2c3ccccc3cc3ccccc23)O1 708789 FCIFTQKVZPMRPF-GKVSMKOHSA-N 383.447 5.484 5 40 GKBB Cc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409117212 NSAXBLXUJLQVMQ-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@H]12 4026454 ABSHAPYWJDXNFP-RYWAYVEBSA-N 382.612 5.829 5 40 GKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1C 5051605 GWNNBUJKOKPDKI-UHFFFAOYSA-N 395.422 5.161 5 40 GKBB Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 14577224 HXPJFMGLDCJFRI-FQEVSTJZSA-N 380.831 5.076 5 40 GKBB O=C(O)c1cc(-c2cccc(Br)c2)nc2ccc3ccccc3c12 3672476 LKBWECRJONCQKA-UHFFFAOYSA-N 378.225 5.516 5 40 GKBB O=C(/C=C/c1ccccc1Cl)OCc1cc(=O)oc2ccc3ccccc3c12 3355177 OVWQBORSFRFKJY-ZRDIBKRKSA-N 390.822 5.356 5 40 GKBB O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)c1 5729615 PVNWPGBLDDBZGA-UHFFFAOYSA-N 375.815 5.972 5 40 GKBB O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2F)c2cc(Cl)ccc2n1 7847831 QQKRRWVOWBKTFU-UHFFFAOYSA-N 378.790 6.270 5 40 GKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 107762435 HOPPTYHYCPGORD-HXUWFJFHSA-N 395.798 5.029 5 40 GKBB O=C1S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1c1ccccc1 113837622 PPSWWZNEFJUOGG-VGOFMYFVSA-N 395.223 5.143 5 40 GKBB O=C(O[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 100475256 NKRYLCNOHSETBE-GSPLXMJTSA-N 377.440 5.103 5 40 GKBB COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(C)C 223264024 UHFWSPXSDHCEEZ-ZDUSSCGKSA-N 390.867 5.180 5 40 GKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 408621246 KWAWTDCSRFJFNQ-UHFFFAOYSA-N 383.231 5.006 5 40 GKBB CC(C)c1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc1 1799292 CHBRIMLAGIYQDV-HSZRJFAPSA-N 398.506 6.377 5 40 GKBB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 5172605 CVMKRTRAPJDQJL-UHFFFAOYSA-N 381.457 5.268 5 40 GKBB Cc1cc(NC(=O)COc2ccc3ccccc3c2)c2ccc3ccccc3c2n1 40384412 LRYPYUYAEZQVGR-UHFFFAOYSA-N 392.458 5.867 5 40 GKBB CCC1(CC)C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1 225329687 GNZAWBBPXOVMOS-MRXNPFEDSA-N 388.851 5.061 5 40 GKBB O=C(Nc1ccc(F)c(F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409265329 HOWVINYRPFISNU-LDADJPATSA-N 380.350 5.052 5 40 GKBB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc([N+](=O)[O-])ccc1Cl 12921120 CWLCBZVFUZZCBH-UHFFFAOYSA-N 399.859 5.113 5 40 GKBB O=c1c2ccccc2c2ncc(-c3c(F)cccc3Cl)c3c4ccccc4n1c23 6624647 KVXNXNVAZOVMBI-UHFFFAOYSA-N 398.824 6.051 5 40 GKBB biogenic O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)c(Cl)c1 843808 BBAYUZLPSNNMAY-IBGZPJMESA-N 397.793 5.158 5 40 GKBB COc1c(-c2ccccc2)c(=O)c2ccc3c4ccccc4sc4ccc1c2c43 5248541 AWXCEFQSHXRBSB-UHFFFAOYSA-N 392.479 6.835 5 40 GKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2c(Br)cccc12 5540835 LYXKAJQKOIWHPD-UHFFFAOYSA-N 385.217 5.071 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OCc1ccccc1 13687437 ISLKSVLUWAPWLO-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB Cc1cc2c(cc1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)CC(C)(C)CC1=N2 102648592 UINKVUWGSKYZNT-QFIPXVFZSA-N 391.471 6.083 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 226333049 NNPGXNNMHLKNCA-LAXZETSFSA-N 389.282 6.198 5 40 GKBB c1ccc(-c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c23)cc1 2286010 NKQKTTDGIMCRDW-UHFFFAOYSA-N 382.466 7.270 5 40 GKBB Cc1ccccc1OCCCn1c2nc3ccccc3nc2c2cccc(C)c21 5017181 PRRXHBVWWISWDT-UHFFFAOYSA-N 381.479 5.824 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1N=[P@@](c1ccncc1)(N1CCCC1)C(C)(C)C 5571078 HQKZPHCQSYDNLQ-MHZLTWQESA-N 386.436 5.266 5 40 GKBB O=C(N[C@H]1CCCc2ccccc21)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 20457863 KNRBMSIEZMDQOU-ICBIFTLVSA-N 398.462 5.329 5 40 GKBB Cc1ccc(NC(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C 103946630 DPWXTRMIHIXFSQ-UHFFFAOYSA-N 397.507 5.690 5 40 GKBB Cc1ccccc1Oc1cc([N+](=O)[O-])cc2c1C(=O)Nc1cc(Cl)ccc1O2 1097640 XTYHZMZALPGGMV-UHFFFAOYSA-N 396.786 5.707 5 40 GKBB CCOc1cc2nc3c4ccccc4n(CCC(C)C)c3nc2cc1OCC 3221630 NVDKEBWLNHCFIT-UHFFFAOYSA-N 377.488 5.581 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccccc2Cl)c1 216571922 PIDZQBUYUZGDIN-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB O=[N+]([O-])c1cc(-c2nc3ccccc3s2)ccc1Sc1ccc(Cl)cc1 409192660 DMLVRIIVQJXGKH-UHFFFAOYSA-N 398.896 6.676 5 40 GKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 7067918 GTQYSVCVSFQTHY-INIZCTEOSA-N 378.428 5.007 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@@H]21 106534523 ABSHAPYWJDXNFP-NHTNDUFYSA-N 382.612 5.829 5 40 GKBB biogenic O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 210199939 YAAKJXXFTVNYJK-BOPDVPAVSA-N 386.816 5.045 5 40 GKBB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(C)C 223263965 UHFWSPXSDHCEEZ-CYBMUJFWSA-N 390.867 5.180 5 40 GKBB O=[N+]([O-])c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1 6645844 QULNABKXXOCKRZ-UHFFFAOYSA-N 386.367 5.227 5 40 GKBB Cc1nc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)ccc1Cl 8990893 XZKFIVQPZWZBMW-UHFFFAOYSA-N 382.228 5.072 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc(O)c3c(C)c(C)sc3n2)o1 408735213 ONVWXLRZPZQNOE-UHFFFAOYSA-N 381.413 5.157 5 40 GKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccnc1Cl 8051379 NLHUUMFOACIZMY-UHFFFAOYSA-N 385.832 5.047 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100970328 SZMRJBUQXISWOA-TWVWUCKLSA-N 376.456 5.072 5 40 GKBB O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 6885018 JZUIKHKHSHPCGU-NRFANRHFSA-N 377.831 5.604 5 40 GKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)oc2c1 16348548 JWERHADDKQUQDO-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB COC(=O)/C=C\C=C(C)/C=C/C=C(C)/C=C\C=C(C)\C=C/C=C(C)/C=C\C(=O)O 104382956 PETQSXXQDKKRJS-KDFHZCHASA-N 394.511 5.810 5 40 GKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 408628649 VXKPVUNEJNMNLK-UHFFFAOYSA-N 389.436 5.432 5 40 GKBB C[N+](C)(C)[C@@]1(Cc2ccccc2)c2ccccc2-c2ccc(Br)cc21 1724881 XKNBVDSVEARICB-QHCPKHFHSA-N 393.348 5.622 5 40 GKBB Cc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 4614019 UVPJIRJERCNAPN-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB O=[N+]([O-])c1cccc([C@H]2C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)c1 2918749 RXNDBGJUJJPBNN-TZIWHRDSSA-N 388.402 5.230 5 40 GKBB O=[N+]([O-])c1ccc(Br)c(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250173 BIRSVBPMRMCXST-UHFFFAOYSA-N 398.081 5.447 5 40 GKBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 712135 MPZOPZABGRHFPN-UHFFFAOYSA-N 375.815 5.972 5 40 GKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344883 XGTHAYIBGQYGDD-STQMWFEESA-N 385.634 5.297 5 40 GKBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408562577 BYLBSTDAZYHUAU-UHFFFAOYSA-N 390.483 5.244 5 40 GKBB O=[N+]([O-])c1ccc(Nc2ccccc2)c(-n2cnc(-c3ccc(Cl)cc3)c2)c1 5025512 VTCIGFMCACNVCF-UHFFFAOYSA-N 390.830 5.845 5 40 GKBB O=[N+]([O-])c1ccc(Cl)c(Cl)c1[C@@H]1Nc2cc(Cl)ccc2-c2ccnn21 30952921 OEVASFOVBJUCSQ-MRXNPFEDSA-N 395.633 5.391 5 40 GKBB CCOc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(C)c2[N+](=O)[O-])cc1 5393483 NMLYMXOCSIIDEE-UHFFFAOYSA-N 399.838 5.233 5 40 GKBB O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1cccc(C(F)(F)F)c1 6243716 DWZWCOUKLCEDDA-UHFFFAOYSA-N 399.393 5.686 5 40 GKBB Cc1ccc(C2=N[C@@H]3C=CC=C[C@H]3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 11617366 HXIHDRLMICWHIA-CEMLEFRQSA-N 376.481 5.434 5 40 GKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 16282696 IRLKRWWTZNZXJR-UHFFFAOYSA-N 389.436 5.432 5 40 GKBB Cc1ccc(-c2c(C)[n+]([O-])c(-c3c4ccccc4cc4ccccc34)n2O)cc1 5617863 KQNRWQQVZUEQCO-UHFFFAOYSA-N 380.447 5.616 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1csc(/C=C/c2ccccc2)n1 4154724 JZXKSJZXKVYFPG-JLHYYAGUSA-N 381.456 6.240 5 40 GKBB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 4969927 IXRUKEAXEFOSFD-UHFFFAOYSA-N 380.407 5.457 5 40 GKBB O=C(Cc1cc2cc3ccccc3cc2oc1=O)c1ccc(-c2ccccc2)cc1 59474347 FVPFNEBDZFGBAG-UHFFFAOYSA-N 390.438 6.039 5 40 GKBB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 859867 ZAZIUXQWHGVLGV-UHFFFAOYSA-N 397.434 5.679 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(C)cc1 2223578 XQIOICASHVRJIA-UHFFFAOYSA-N 383.451 5.134 5 40 GKBB C[n+]1c([C@@H](Cc2ccc([N+](C)(C)C)cc2)c2ccccc2)ccc2ccccc21 3845720 AVVDRJMQOVZWTQ-VWLOTQADSA-N 382.551 5.236 5 40 GKBB O=C(/C=C\c1ccccc1)OCc1cc([N+](=O)[O-])ccc1SC1CCCCC1 12375793 TZPOHCHMMBAIMI-KAMYIIQDSA-N 397.496 5.776 5 40 GKBB Cc1nn(C2CCCCC2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)SCC(O)=N2 17206125 RAIAUIAHOPERDU-GOSISDBHSA-N 386.477 5.029 5 40 GKBB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 21125527 CLIGHQYKKZRBQD-UHFFFAOYSA-N 388.851 5.313 5 40 GKBB Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccc([N+](=O)[O-])cc1 409121898 VPWWNXHYMOTQCS-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2ccc3ccccc3c2s1 3175396 FPIUGWUBKQUTLG-DHZHZOJOSA-N 375.409 5.010 5 40 GKBB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2c1 46086343 DZVQQHJNUKQGDB-UHFFFAOYSA-N 382.416 5.389 5 40 GKBB CC(C)n1ncc2c(-c3cccc4cccnc34)c3oc4cc(O)ccc4c3nc21 96115412 CMQMPKWYAHTKBH-UHFFFAOYSA-N 394.434 5.832 5 40 GKBB biogenic O=[N+]([O-])c1cccc([C@@H]2C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)c1 2918743 RXNDBGJUJJPBNN-PZJWPPBQSA-N 388.402 5.230 5 40 GKBB Cc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1-c1ccccc1 3297035 UFRXEGHHKQSSFD-UHFFFAOYSA-N 399.475 5.128 5 40 GKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1Cl 779458 LMBQJDLBYICMHK-UHFFFAOYSA-N 394.239 5.277 5 40 GKBB Cc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c(C)c1 4659475 RGWOADLEKFPEAD-ACCUITESSA-N 397.434 5.081 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@@H]21 4026455 ABSHAPYWJDXNFP-ABZQKAAASA-N 382.612 5.829 5 40 GKBB O=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 35668618 ZPBWLQGDDNQCEZ-UHFFFAOYSA-N 380.105 5.525 5 40 GKBB CC(C)c1ccc([C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1 57574425 UHXHBBYBBPGJFU-OAQYLSRUSA-N 384.476 5.072 5 40 GKBB Cc1nc(C)c([C@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])s1 70039822 OHQXBKXTUDCFJW-ZETCQYMHSA-N 379.791 5.513 5 40 GKBB Cc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 4134620 HWUKNYJOVZFHQH-FQEVSTJZSA-N 390.870 6.205 5 40 GKBB Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 6215884 VPQYYPPEBGCOKG-CYBMUJFWSA-N 387.867 5.045 5 40 GKBB Cc1cc(SCc2cc(=O)oc3ccc4ccccc4c23)nc2ccccc12 6330644 GBSLDCWOECBLLO-UHFFFAOYSA-N 383.472 6.095 5 40 GKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c(C)c1 2226858 SGHDMZWBFMDWBV-UHFFFAOYSA-N 395.422 5.161 5 40 GKBB O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)cc1Oc1ccc(Cl)cc1 4727452 UANBYSSIMCVSNG-UHFFFAOYSA-N 376.195 6.486 5 40 GKBB O=[N+]([O-])c1ccc2nc(-c3ccc4c(c3)OCCO4)cc(-c3ccccc3)c2c1 7848000 LIPSYJMFZJHCCR-UHFFFAOYSA-N 384.391 5.248 5 40 GKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 408557618 PNTDZDDEXOFVIM-UHFFFAOYSA-N 378.428 5.185 5 40 GKBB O=C(NC1CCCCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408570119 ZHUXMRUWAIYLAP-OQKWZONESA-N 378.472 5.365 5 40 GKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 4917498 MMFSXAQUXDFMFD-UHFFFAOYSA-N 397.239 5.377 5 40 GKBB O=c1c2ccccc2oc2cc(OCc3c(Cl)cccc3Cl)cc(O)c12 5441126 PFYGYUKUDMFNBC-UHFFFAOYSA-N 387.218 5.538 5 40 GKBB biogenic O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc12 6566593 WFGHKNDHGCCWMC-UHFFFAOYSA-N 390.420 5.229 5 40 GKBB Cc1csc(Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(C)c2)n1 58177676 SSAMVJBTEHFTQY-UHFFFAOYSA-N 399.497 5.380 5 40 GKBB CCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538327 WNHISCAZUSWXEN-UHFFFAOYSA-N 396.487 5.451 5 40 GKBB CC(C)COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 408623956 VRDYPDBAJRCNKH-UHFFFAOYSA-N 397.456 5.005 5 40 GKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)c1 408623974 WAJOZQRJKRAHAJ-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB Cc1nc(Nc2cccc(Cl)c2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 4714170 WPHCLWDAYNBRJX-UHFFFAOYSA-N 390.230 5.487 5 40 GKBB C[C@@H](Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl)c1ccccc1 72038861 USWAKGPLCSECKG-CQSZACIVSA-N 395.846 5.674 5 40 GKBB CCCCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 72229466 RFNIHXGRKQXNSI-UHFFFAOYSA-N 383.231 5.333 5 40 GKBB Cc1ccc([C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1 30848146 JSCYQAQHBQGSSN-HXUWFJFHSA-N 380.831 5.076 5 40 GKBB O=C(O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247341081 SCPPQCMJQPSDRV-HUKLNQKOSA-N 398.846 5.243 5 40 GKBB Cc1noc(/C=C\c2c(OCc3ccccc3)ccc3ccccc23)c1[N+](=O)[O-] 408544115 SBCMVVPJXALNJJ-OWBHPGMISA-N 386.407 5.794 5 40 GKBB Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc([N+](=O)[O-])cc1 409116883 MJGVOCKLRUVUDN-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB Cc1ccc(C(=O)c2ccc(Oc3cccc4cccnc34)c([N+](=O)[O-])c2)cc1 864919 KNINHNINJRBJGR-UHFFFAOYSA-N 384.391 5.475 5 40 GKBB O=[N+]([O-])c1cc(-c2csc(-c3ccc(Cl)cc3Cl)n2)ccc1Cl 2243803 GPCHSNDKISMBNS-UHFFFAOYSA-N 385.659 6.346 5 40 GKBB S=C(Nc1ccc2ccccc2c1)Nc1cc2ccncc2c2ncccc12 408975853 OGSQIELGPYDBAO-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB Cc1ccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(Cl)c1 409055032 XLIKAGDTNCDXTD-UHFFFAOYSA-N 398.871 5.960 5 40 GKBB C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12 4831888 IIKAEZYRORGRLZ-IWAAJCSBSA-N 384.435 5.221 5 40 GKBB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 33374187 NXISPJHWCYXZSO-TZYHBYERSA-N 394.515 5.698 5 40 GKBB CC(C)(C)c1cc(Nc2ccc(Cl)cc2[N+](=O)[O-])cc(C(C)(C)C)c1O 4614849 LWEUZYIZOMJKDI-UHFFFAOYSA-N 376.884 6.292 5 40 GKBB Cc1ccc(Nc2nc(C)nc(Nc3ccc(C)cc3C)c2[N+](=O)[O-])c(C)c1 5003745 CFQGDVHNMCXUEY-UHFFFAOYSA-N 377.448 5.414 5 40 GKBB CCc1cccc(C)c1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 58046787 VPTZNBTUGSLBIP-UHFFFAOYSA-N 375.428 5.462 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc(Br)c1)N2 408997105 RCYPTBYXWJQTJP-QKQOXNHBSA-N 399.288 5.654 5 40 GKBB CCCCC(=O)N1c2ccc([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C 4795767 JOYQCKWOUIDFHD-UHFFFAOYSA-N 394.543 5.886 5 40 GKBB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4893819 ZBOZLDYKIZQASQ-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB Cc1cc2c(c3oc(=O)c4ccccc4c13)CN(Cc1ccccc1Cl)CO2 20403823 IOWWTUMVKHBGKZ-UHFFFAOYSA-N 391.854 5.260 5 40 GKBB c1ccc2c(c1)ccc1op(N3CCCC3)oc3ccc4ccccc4c3c12 38878777 PEBZMIJYTLAUKZ-UHFFFAOYSA-N 385.403 7.328 5 40 GKBB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 223023639 OXPNQTNSBKEWHS-INIZCTEOSA-N 383.231 5.006 5 40 GKBB CCc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409117281 LFIQTWFOMROBKA-UHFFFAOYSA-N 393.399 5.470 5 40 GKBB Cc1cc(C)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 21595770 DYFMLQBHQRDTRF-UHFFFAOYSA-N 381.476 5.009 5 40 GKBB CC(=O)CCc1ccc(Oc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 57364347 DPCSLIOLXYUYNV-UHFFFAOYSA-N 387.741 5.581 5 40 GKBB CC(C)c1ccc(-c2csc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4079340 NKZQFMQEHNIGNI-UHFFFAOYSA-N 382.445 5.486 5 40 GKBB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 248303980 LMAZZPFMLPSWFB-MCBCHBBLSA-N 392.455 5.068 5 40 GKBB O=C1c2ccccc2-c2c1c(-c1cccc(Cl)c1)nc1ccc3ccccc3c21 2317156 OHWJYEPAEABNAS-UHFFFAOYSA-N 391.857 6.920 5 40 GKBB Cc1ccc(-c2csc3ncnc(SCc4ccc([N+](=O)[O-])cc4)c23)cc1 1901507 AHWIAFFMVBQKPK-UHFFFAOYSA-N 393.493 5.867 5 40 GKBB Cc1ccc(COn2c(-c3cccc(Cl)c3)nc3ccc([N+](=O)[O-])cc32)cc1 3063741 GCSNPHMLFAXTMT-UHFFFAOYSA-N 393.830 5.202 5 40 GKBB Cc1ccc(-c2csc(-c3cc4c(ccc5ccccc54)o/c3=N\O)n2)cc1 4460646 HDGAIYVAFBNOPY-LVWGJNHUSA-N 384.460 5.975 5 40 GKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 6471707 ZDBZSWMQQJVHHA-UHFFFAOYSA-N 383.787 5.398 5 40 GKBB C[N+](C)(Cc1ccccc1Cl)C[C@@H](O)CN(c1ccccc1)c1ccccc1 859272 KXEIWZVOQCZDOX-QHCPKHFHSA-N 395.954 5.116 5 40 GKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])s4)cc3)sc2c1 3296509 WRGPDZVBZWQACM-UHFFFAOYSA-N 395.465 5.494 5 40 GKBB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N+]2(C)CCCCCC2)cc1 36631480 WBEGSLGIHPIBAR-NRFANRHFSA-N 376.605 5.161 5 40 GKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3cc4ccccc4nc3c2)C1 108339499 YCPFJCPUSPFSKL-YADARESESA-N 389.568 5.985 5 40 GKBB CCCCN(CCCC)C[C@H](O)c1ccc2cc(Cl)c3ccccc3c2c1 1729656 IYEPNDPUTXPUMQ-DEOSSOPVSA-N 383.963 6.582 5 40 GKBB COc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(C(C)C)ccc4o3)sc2c1 57352598 FJZUDPITQFYPNA-UHFFFAOYSA-N 384.417 5.221 5 40 GKBB CCN(CC)c1cc(NC(=O)c2ccc(C(C)C)cc2)c(Cl)cc1[N+](=O)[O-] 72229133 XDZVANKQAHWGLX-UHFFFAOYSA-N 389.883 5.470 5 40 GKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 408606622 JFZAVAMGFYHNPT-UHFFFAOYSA-N 378.428 5.185 5 40 GKBB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8192357 PCYYZSKSOJMTJK-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB COc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4ccccc4c23)cc1 9239150 ORRYIMWYOGXMGL-UHFFFAOYSA-N 377.443 6.436 5 40 GKBB Cc1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 408997406 OILXVZSHGWYBPY-UHFFFAOYSA-N 384.464 5.950 5 40 GKBB CCCOc1cc2nc3c4ccccc4n(CCC)c3nc2cc1OCCC 2276956 MZDVTGFZRQFTPT-UHFFFAOYSA-N 377.488 5.725 5 40 GKBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccccc1 224328002 KGMQXUHEGKONEU-UHFFFAOYSA-N 394.452 5.148 5 40 GKBB Cc1cccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 409111727 BVMQGHGFUAKRIC-UHFFFAOYSA-N 379.372 5.216 5 40 GKBB CCc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 5021689 AMJJPZCZYJBNOY-UHFFFAOYSA-N 395.422 5.106 5 40 GKBB Cc1cccc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)c1 8587138 MFCCUSGKSGEZJP-UHFFFAOYSA-N 386.411 5.232 5 40 GKBB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1 199411303 NCRIXIGUFAXGDP-JOCHJYFZSA-N 383.407 5.134 5 40 GKBB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 5865787 AQUCOVIHTDNQOI-QHHAFSJGSA-N 394.239 5.163 5 40 GKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 408621319 LQSUMVOSLLSXPD-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2ccc3nc4ccccc4nc3c2)C1 408974956 GOBFOURIOYEJIG-QMHKHESXSA-N 390.556 5.380 5 40 GKBB S=C(Nc1ccc2ccccc2c1)Nc1ccc2cc3ccccc3nc2c1 409188167 BNXAPYCAXSXMJG-UHFFFAOYSA-N 379.488 6.350 5 40 GKBB O=[N+]([O-])c1ccc2nc3c(sc4nc5ccccc5n43)c(-c3ccccc3)c2c1 2776373 KVCWITLGQLXOGL-UHFFFAOYSA-N 396.431 5.826 5 40 GKBB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 6515640 LVAPNXAXEYIPAW-YCRREMRBSA-N 399.878 5.136 5 40 GKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1 7653661 DMGNPTMOSFUCSV-UHFFFAOYSA-N 391.427 5.636 5 40 GKBB O=C(OCc1ccccc1)C12C[C@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 103167820 JMRRKJLYZYJXPN-AYJAPBJVSA-N 391.467 5.176 5 40 GKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 408609819 OXDOTQPSHZPLPX-UHFFFAOYSA-N 378.428 5.103 5 40 GKBB O=C(O)c1cccc2cccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c12 5048639 DNVGCSHHOPOHOW-UHFFFAOYSA-N 382.371 5.122 5 40 GKBB S=C(Nc1ccc2cc3ccccc3nc2c1)N1CC[C@H](c2ccccc2)C1 7096411 DELGAHVZZOTOFE-FQEVSTJZSA-N 383.520 5.574 5 40 GKBB Cc1noc(C[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)c1[N+](=O)[O-] 19872754 PNQOPBYCWPUEIW-INIZCTEOSA-N 384.819 5.144 5 40 GKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1[N+](=O)[O-] 72229355 NQDZYERXQKCTPT-GFCCVEGCSA-N 391.830 5.018 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OCCSc2ccccc2)cc1 20459249 PDRDUPLXMIRQAU-UHFFFAOYSA-N 394.452 5.018 5 40 GKBB O[C@H](c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCCN1 1567990 DAGCDWKOQHGGEX-WOJBJXKFSA-N 393.836 5.841 5 40 GKBB O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1 1711044 BXSUFOUEJTZPFY-UHFFFAOYSA-N 397.985 5.909 5 40 GKBB Cc1cccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)c2)c1 5003156 LZBQRKNFMJGKCT-UHFFFAOYSA-N 392.367 5.006 5 40 GKBB CCOc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408625171 XDZMEPUJUDBDGT-UHFFFAOYSA-N 386.791 5.159 5 40 GKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 4545692 UTHKUZZXJNATCR-FZKQIMNGSA-N 399.516 5.626 5 40 GKBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2ccccc2)cc1 16493022 WITCWHJRRHBIQD-UHFFFAOYSA-N 389.436 5.113 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1cc2c(ccc3ccccc32)oc1=O 16526081 QVIOBDGGEYVLBN-UHFFFAOYSA-N 390.394 5.873 5 40 GKBB Cc1ccc(C(=O)[C@H](C)OC(=O)c2c3ccccc3cc3ccccc23)cc1C 2635252 OXMKUYJALBZLNL-SFHVURJKSA-N 382.459 6.038 5 40 GKBB Cc1sc2ncnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1C 3342098 KHKAFZIGYVFCEU-UHFFFAOYSA-N 385.392 5.386 5 40 GKBB Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 409116896 NLNLWFPEHBFEFA-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB CCOc1ccc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 6648915 IILALLGRKPGGDC-UHFFFAOYSA-N 384.431 5.431 5 40 GKBB CC(C)N(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 59340009 POWYPYCEOKELNQ-UHFFFAOYSA-N 398.406 5.147 5 40 GKBB C[C@@H]1CCCCN1CCCn1cc(-c2ccc([N+](=O)[O-])cc2)sc1=S 66087817 LNUHETGTSBTIOS-CQSZACIVSA-N 377.535 5.119 5 40 GKBB CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)c1ccc(F)cc1 89960810 FHEPLSOOEILTID-OAQYLSRUSA-N 393.418 5.377 5 40 GKBB O=C(O[C@]1(c2ccccc2)C[C@@H]2C[C@@H]1c1ccccc12)c1ccc([N+](=O)[O-])cc1 104077716 PRIWSLOSTPBIKX-YJGRUCBDSA-N 385.419 5.322 5 40 GKBB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3331038 HWDIYRFQDDIRSG-UHFFFAOYSA-N 398.418 5.698 5 40 GKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1[N+](=O)[O-] 826553 XFMOUVGGDXAXGD-UHFFFAOYSA-N 391.358 5.103 5 40 GKBB Cc1ccc2[nH]c(C)c(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1 4189924 BPHJKAPAAFJYSF-UHFFFAOYSA-N 377.366 5.366 5 40 GKBB Cc1cc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)ccc1[N+](=O)[O-] 4979963 OSDWGLLSKXRCRV-UHFFFAOYSA-N 390.826 5.707 5 40 GKBB Ic1ccc2ccc3ccccc3c2c1-c1ccccc1 8383886 NZLGZPHDDSOULT-UHFFFAOYSA-N 380.228 6.265 5 40 GKBB O=[N+]([O-])c1cccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 17079891 FJRLFGAEWXTAQY-UHFFFAOYSA-N 391.377 5.452 5 40 GKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1Cl 33401240 DZZIGZAGRIZFSE-UHFFFAOYSA-N 399.280 5.486 5 40 GKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 72228877 XNUCVEWWDVZJPH-LLVKDONJSA-N 397.258 5.178 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1OCc1ccccc1 408586632 OIVVFPVZDKOVFJ-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(F)c1 408613095 XKVHIRCMAHVVSB-UHFFFAOYSA-N 396.418 5.324 5 40 GKBB Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCNCc1ccccc1 1640055 ARIZCBCQKYIXKD-UHFFFAOYSA-N 379.507 5.749 5 40 GKBB Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccccc2Cl)n1 832564 ZWMJQIPKOUQIRM-UHFFFAOYSA-N 387.848 5.431 5 40 GKBB CCn1c2ccccc2c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 4091481 AUSVTNSPONWUSG-UHFFFAOYSA-N 393.830 5.628 5 40 GKBB CCCCN(CCCC)c1cc(NCc2ccccc2)c([N+](=O)[O-])c2nonc12 4889150 MHOPYAYIPHGAFA-UHFFFAOYSA-N 397.479 5.150 5 40 GKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Cl)c1 33735135 RAAWADMISQAIKN-UHFFFAOYSA-N 383.787 5.398 5 40 GKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(C)c1OC(C)C 225508121 QOQCNALQJXEHME-UHFFFAOYSA-N 396.487 5.449 5 40 GKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(c1ccccc1)c1ccccc1 408620536 HCVCGKWZWLYSHY-UHFFFAOYSA-N 380.831 5.327 5 40 GKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(OCC)cc1 1768298 VZSGIIKDDYDQRL-UHFFFAOYSA-N 386.451 5.707 5 40 GKBB CCCCC1CCC(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)CC1 4079015 OKTNDLCIDHUAEA-UHFFFAOYSA-N 388.493 5.048 5 40 GKBB CC(C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 57313327 QRAMNZOOMPHFJP-WYMLVPIESA-N 376.412 5.630 5 40 GKBB Cc1noc(/C=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)c1[N+](=O)[O-] 408542777 LAWYGVFXTDKPHS-VAWYXSNFSA-N 391.402 5.512 5 40 GKBB CN(C(=S)Nc1cc2cccnc2c2cccnc12)c1ccc2ccccc2c1 408976793 SEZHOIWMCFSIHX-UHFFFAOYSA-N 394.503 5.769 5 40 GKBB Cc1ccccc1NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409115149 ISNSVYPDTDYESU-UHFFFAOYSA-N 379.372 5.216 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 4615908 MKVPVYUEPOBSDN-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3Nc3n[nH]c(-c4ccccc4)c32)cc1 5827212 YSEONLFNRBXEKN-FQEVSTJZSA-N 383.411 5.243 5 40 GKBB O=[N+]([O-])c1ccc(-c2cn3cccc(OCc4ccc(Cl)cc4)c3n2)cc1 20030701 JPQPZYIBMNESJF-UHFFFAOYSA-N 379.803 5.142 5 40 GKBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2SCc2ccccc2)cc1 1089549 QUCWARIMEUWAEJ-UHFFFAOYSA-N 394.452 5.148 5 40 GKBB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2c3ccccc3cc3ccccc23)S1 260781115 SNDMOXQBTGIDPK-GRFCFPJTSA-N 395.531 5.977 5 40 GKBB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3107609 IWJGPHKCOFNQDS-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408608164 MVDVUYSVAQYXRI-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Br)cc1)N2 408999812 SLSRTHDHWHHRAY-MELFWRNSSA-N 399.288 5.654 5 40 GKBB Cc1nc(CSc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cs1 12796525 RCMLXEISTZFNFM-UHFFFAOYSA-N 399.497 5.213 5 40 GKBB Cc1cc2c(cc1C)N[C@@H](c1ccccc1[N+](=O)[O-])C1=C(O)CC(C)(C)CC1=N2 102507323 JYQKEQLTJNEXCM-QFIPXVFZSA-N 391.471 6.083 5 40 GKBB O=C1NC(=O)c2c1c1c3cc(Cl)ccc3[nH]c1c1[nH]c3ccc(Cl)cc3c21 6567263 DYJREVOKIDWZEE-UHFFFAOYSA-N 394.217 5.146 5 40 GKBB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1 4550361 HIWISXDOKDZKME-UHFFFAOYSA-N 393.786 5.309 5 40 GKBB Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1 4615149 OWICCLNHDOUDNR-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB CCOc1cc(CNc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 4682170 HRAQQKLEYZGAGS-UHFFFAOYSA-N 378.428 5.185 5 40 GKBB O=[N+]([O-])c1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)cc1 7098743 OXHUYDCBKPPLNM-UHFFFAOYSA-N 385.448 5.875 5 40 GKBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cc1ccccc1 12759437 QJQICLMRNGRGTD-UHFFFAOYSA-N 396.830 5.100 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 15410515 UHJQTJZRIDDLHL-UHFFFAOYSA-N 385.272 5.082 5 40 GKBB Cc1cc(C(=O)Nc2ccccc2SCc2ccsc2)ccc1[N+](=O)[O-] 15720120 FNYMUERMWJCCGH-UHFFFAOYSA-N 384.482 5.509 5 40 GKBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225537908 YTPZRIKHUSLLNL-UHFFFAOYSA-N 382.460 5.143 5 40 GKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 408603199 BLHVGGIGLULCJJ-UHFFFAOYSA-N 396.418 5.324 5 40 GKBB Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 7388565 STXJPBFEKWBEBV-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB Cc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1Cl 21595587 QJDZEIMWHWTOJS-UHFFFAOYSA-N 381.240 5.677 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(Cl)cc1CO 409117607 OFBVUUQOCVLSAT-UHFFFAOYSA-N 382.121 5.205 5 40 GKBB COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc12 2474909 YNSJXPHMTYGIQH-UHFFFAOYSA-N 378.409 5.224 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1c(Cl)cccc1Cl 4694897 ZSXBNQIWRZWYGS-UHFFFAOYSA-N 385.272 5.082 5 40 GKBB Clc1ccc(-n2c(-c3ccccc3)cn3c4ccc5ccccc5c4nc23)cc1 13787391 ZCEZUPXFKROMDS-UHFFFAOYSA-N 393.877 6.752 5 40 GKBB CC1(C)[C@H]2CC[C@H](C2)[C@H]1C[C@@H]1OC[C@@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 217336609 FPLFYPVTBGXHRG-QERLCLQCSA-N 398.611 5.391 5 40 GKBB Cc1nc(Nc2ccc3ccccc3c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5360789 ZSJWCTATWMXVEM-UHFFFAOYSA-N 385.427 5.358 5 40 GKBB CC1(C)[C@@H](C[C@@H]2OC[C@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@@H]2CC[C@@H]1C2 100667971 FPLFYPVTBGXHRG-WJGLBBAVSA-N 398.611 5.391 5 40 GKBB Cc1ccc(-c2nnc(-c3cc4ccccc4n4c3nc3ccccc34)o2)cc1 1775968648 JAVKLMFNZODDIW-UHFFFAOYSA-N 376.419 5.666 5 40 GKBB COc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1OC 5516468 YWQKKVYUZVITAQ-UHFFFAOYSA-N 383.451 5.112 5 40 GKBB COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccccc2C)nc1-c1ccccc1 2366186 QQCQKCOLVVWYRO-UHFFFAOYSA-N 385.423 5.636 5 40 GKBB Cc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)nn2)cc1 5014189 UVUFQTMRGNXQPF-UHFFFAOYSA-N 381.435 6.003 5 40 GKBB CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1 5490026 UXEZGWBHGISAAU-UHFFFAOYSA-N 383.451 5.193 5 40 GKBB CCCCCN(CCCCC)C[C@@H](O)c1cc2ccccc2c2ccccc12 5973204 RQQOYOBCRRAEJH-AREMUKBSSA-N 377.572 6.709 5 40 GKBB COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409120617 RDYAYUKCYOUCMI-UHFFFAOYSA-N 378.428 5.103 5 40 GKBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc([N+](=O)[O-])cc1 3140413 ICBUBIWQVLKNPB-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB CCc1ccc2c(CSc3nc4ccc([N+](=O)[O-])cc4s3)cc(=O)oc2c1 7797892 QSUJMUSMWFDIRO-UHFFFAOYSA-N 398.465 5.166 5 40 GKBB O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1Cc1ccccc1 2744967 HHHMDDGNYKZGHM-HXUWFJFHSA-N 393.830 5.015 5 40 GKBB O=[N+]([O-])c1cc(SCc2ccccc2)c2cc(-c3ccccc3)sc2c1 15084469 JUKIUGCQXALMSG-UHFFFAOYSA-N 377.490 6.769 5 40 GKBB CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccccc1 869187 NUDNUVDZJGCHOY-UHFFFAOYSA-N 378.409 5.054 5 40 GKBB Cc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1Cl 72229098 NEYRNJUNDRENCH-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc([N+](=O)[O-])c1 944215 PKNRMJKDIKSLIL-UHFFFAOYSA-N 385.807 5.025 5 40 GKBB Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)oc2ccc(Br)cc2c1=O 3294707 SHVWYJWXSKFDFQ-UHFFFAOYSA-N 394.608 5.093 5 40 GKBB Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 5235448 YAZFJXYMBOTMGI-ISKFKSNPSA-N 399.450 5.454 5 40 GKBB O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])s1 10694770 CMNWDWOKLQWZHK-UHFFFAOYSA-N 387.467 5.247 5 40 GKBB CC1CCN(c2ccc(C(=O)Nc3ccccc3C(C)C)cc2[N+](=O)[O-])CC1 21596084 HSYOMQSXTMPPCY-UHFFFAOYSA-N 381.476 5.207 5 40 GKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 408557093 MWCQLEBGXFWCKF-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB O=C(Nc1ccccc1C(F)(F)F)c1cc2c(ccc3ccccc32)oc1=O 715775 KLWVSONQITZFKO-UHFFFAOYSA-N 383.325 5.217 5 40 GKBB Cc1cc2n(n1)[C@H](c1c3ccccc3cc3ccccc13)Nc1c(C)cccc1-2 2178860 UVOWAOCSNCYDGN-AREMUKBSSA-N 375.475 6.446 5 40 GKBB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409116791 LHIOXYJMPGDLOI-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccccc1[N+](=O)[O-] 4070501 NWPLLSILWGRECF-UHFFFAOYSA-N 394.239 5.277 5 40 GKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)s2)cs1 4078847 QUTBASDYIHRSNT-FPYGCLRLSA-N 391.861 5.085 5 40 GKBB COc1cccc2c1ncc1c(-c3ccccc3)nn(-c3cccc([N+](=O)[O-])c3)c12 21017294 DRPQZUHRKRRMBY-UHFFFAOYSA-N 396.406 5.158 5 40 GKBB CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(C)cc1 869188 AVUNQIIQGQHEHF-UHFFFAOYSA-N 392.436 5.363 5 40 GKBB O=[N+]([O-])c1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1 992506 KVPKXYUOWGEWQX-UHFFFAOYSA-N 376.235 5.224 5 40 GKBB biogenic O=[N+]([O-])c1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1 254397958 GWNHRTQSJHQTOT-UHFFFAOYSA-N 387.464 5.406 5 40 GKBB O=c1oc2cc3occ(-c4ccc(Br)cc4)c3cc2c2ccccc12 4029937 CGONCCVCNCZRQG-UHFFFAOYSA-N 391.220 6.122 5 40 GKBB biogenic CCCCn1c(NCc2c3ccccc3cc3ccccc23)nc2ccccc21 13535034 JWRYONUDILFPRF-UHFFFAOYSA-N 379.507 6.755 5 40 GKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 7067922 GTQYSVCVSFQTHY-MRXNPFEDSA-N 378.428 5.007 5 40 GKBB COc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225538279 GTZXURPLIQDGPK-UHFFFAOYSA-N 382.460 5.061 5 40 GKBB C[n+]1c(-c2cccc(-c3ccccc3)c2)c2cc([N+](=O)[O-])ccc2c2ccccc21 1761342 PFESRQDRYZHBAA-UHFFFAOYSA-N 391.450 6.060 5 40 GKBB CSc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-] 13135241 OQDTVSUGXKLZDM-UHFFFAOYSA-N 379.393 5.435 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 409333853 DPSQZFKBCIXMIK-UANLFUNTSA-N 389.282 6.198 5 40 GKBB O=[N+]([O-])c1ccc(CSc2nc3ccccc3c3nc4ccccc4n23)cc1 2959649 XGLUMQPHFVLSLR-UHFFFAOYSA-N 386.436 5.236 5 40 GKBB COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409119473 UGVWLSZYXMXGTA-UHFFFAOYSA-N 392.455 5.411 5 40 GKBB c1ccc2cc(OCCn3c4ccccc4c4nc5ccccc5nc43)ccc2c1 1452076 WCHVBKPUAMFXHS-UHFFFAOYSA-N 389.458 5.970 5 40 GKBB O=[N+]([O-])c1ccc(Oc2ccc(CCCc3ccccc3)cc2)c([N+](=O)[O-])c1 1867122 FIQDHPCNYNUWAP-UHFFFAOYSA-N 378.384 5.471 5 40 GKBB CCN(CC)CCNc1cc2c(c3c(=O)c4ccccc4sc13)CCCC2 4773323 LXYBVOFUECNXGB-UHFFFAOYSA-N 380.557 5.047 5 40 GKBB O=c1cc(CNc2ccc3oc(C4CC4)nc3c2)c2c(ccc3ccccc32)o1 40086313 AAWLCQOHYIVXPZ-UHFFFAOYSA-N 382.419 5.577 5 40 GKBB Cc1csc(N(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 43005895 BVESFIDYEGYMMF-CSKARUKUSA-N 399.859 5.391 5 40 GKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1Cl 6301500 IYURPNWBGOHDFA-PKNBQFBNSA-N 382.803 5.469 5 40 GKBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(Cl)cc1Cl 1511167 LPSFJWAAPXAWNR-GFMRDNFCSA-N 383.234 5.224 5 40 GKBB CC(=O)Nc1ccc(Oc2cc(Oc3ccc(C)cc3)cc([N+](=O)[O-])c2)cc1 3202201 SQGYHEKFHUMIGP-UHFFFAOYSA-N 378.384 5.446 5 40 GKBB O=C(CSc1nc2ccccc2c2ccccc12)c1cc2ccccc2oc1=O 16525586 SZHQAMGXHCXAPL-UHFFFAOYSA-N 397.455 5.469 5 40 GKBB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1[N+](=O)[O-] 6601363 VNVPFWIOFLSKLH-UHFFFAOYSA-N 392.194 5.519 5 40 GKBB CCc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409112943 CVERVPFFFQGCEO-UHFFFAOYSA-N 396.874 6.002 5 40 GKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 1098181 AXTSOXSNSLPHHI-HXUWFJFHSA-N 390.870 6.205 5 40 GKBB CC1(C)[C@H]2CC[C@H](C2)[C@@H]1C[C@@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 4728658 FPLFYPVTBGXHRG-ABZQKAAASA-N 398.611 5.391 5 40 GKBB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCCC3)o2)c([N+](=O)[O-])c1 4746925 JHOLPESXMKTBSC-UHFFFAOYSA-N 391.427 5.016 5 40 GKBB C[C@]1(c2ccccc2)CCN2CC[C@](C)(c3ccccc3)c3cc([N+](=O)[O-])cc1c32 4181171 ARFDAFPFUOXGEM-CLJLJLNGSA-N 398.506 5.821 5 40 GKBB COc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C 5033200 WHVXJZIRKHIWDX-UHFFFAOYSA-N 386.791 5.078 5 40 GKBB Cc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 44849924 JUSMFNWAGYHMPD-FQEVSTJZSA-N 380.831 5.076 5 40 GKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408557613 PKUDIDZWVHEFCJ-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB O=[N+]([O-])c1ccc([C@H]2N(c3ccc(Br)cc3)C2(Cl)Cl)cc1 4455897 HSXCHUFKXIJYEP-YJJYDOSJSA-N 388.048 5.050 5 40 GKBB O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 4952367 BBAPBQCNTKRJIN-UHFFFAOYSA-N 382.228 5.244 5 40 GKBB Cc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(C(C)(C)C)ccc4o3)nc12 57352714 FQKGWNVDPSUZMO-UHFFFAOYSA-N 382.445 5.695 5 40 GKBB O=C(Nc1ccc2ccccc2c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408907520 PYHWOIABLOQHCX-LFVJCYFKSA-N 394.430 5.927 5 40 GKBB c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c2ccc2ccccc23)cc1 1759418 SGNFKSXXWGYYKA-UHFFFAOYSA-N 380.490 8.480 5 40 GKBB CCCC[C@@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)OCC 2959691 JSIXMBMTHMSCNJ-LJQANCHMSA-N 393.512 5.250 5 40 GKBB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6883342 MZCDMVKGCXRYAI-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB CC(C)(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 11246871 BXYKCWWYNAIAKS-UHFFFAOYSA-N 384.479 5.091 5 40 GKBB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2c3ccccc3cc3ccccc23)S1 222569009 SNDMOXQBTGIDPK-ZCWWJEROSA-N 395.531 5.977 5 40 GKBB CCCCN(CCCC)C[C@H](O)c1cccc2c1cc(Cl)c1ccccc12 1555709 AARXGFKNAGIZLN-DEOSSOPVSA-N 383.963 6.582 5 40 GKBB COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H](c2ccccc2)[N+](=O)[O-])cc1 1715101 BQYGWJZQQPXFAJ-GMAHTHKFSA-N 375.424 5.070 5 40 GKBB COc1cc(OC)c(NC(=O)c2cc3ccccc3c3cccnc23)cc1Cl 58186067 JSYHEBXTBFXWHX-UHFFFAOYSA-N 392.842 5.311 5 40 GKBB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc([N+](=O)[O-])s1 4069857 GLDFCOMCGFKQBP-UHFFFAOYSA-N 381.438 5.185 5 40 GKBB COC(=O)/C=C\C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)O 77869898 RAFGELQLHMBRHD-ZKWIDTAWSA-N 394.511 5.810 5 40 GKBB O=[N+]([O-])C[C@H](c1ccccc1OCc1ccccc1F)c1c[nH]c2ccccc12 408567600 GXNJISQCVJBNTG-HXUWFJFHSA-N 390.414 5.295 5 40 GKBB O=Cc1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409081677 HNYFBZTVESDQTE-UHFFFAOYSA-N 380.105 5.525 5 40 GKBB O=c1oc2c3c(ccc2c2ccccc12)OCN([C@H]1CCCc2ccccc21)C3 20610237 UELVXYIUCDRHML-QFIPXVFZSA-N 383.447 5.176 5 40 GKBB biogenic Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 409113763 NRWGWOMFYUKGPG-UHFFFAOYSA-N 396.874 6.056 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C)CC2c3ccccc3C1c1ccccc12 714015 BNLGQOBZYBKGHG-LQOCYXTFSA-N 398.462 5.529 5 40 GKBB COc1ccc2c(c1)c(=O)oc1c(C)c3occ(-c4ccc(Cl)cc4)c3cc12 2237959 NPYWRKLQYFDSCB-UHFFFAOYSA-N 390.822 6.330 5 40 GKBB biogenic Cc1ccc(N(C)C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1C 408974507 ARQYFJMVGSHWMU-UHFFFAOYSA-N 397.503 5.891 5 40 GKBB Cc1c(OCC(=O)c2ccc(Cl)cc2)ccc2c1oc(=O)c1ccccc12 629658 IZRVGWSNTWEJIB-UHFFFAOYSA-N 378.811 5.170 5 40 GKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccccc1Cl 3219266 XRIGEEFNRGUBCS-UHFFFAOYSA-N 389.838 5.442 5 40 GKBB CC(C)c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCCCC1 95479838 OFVIRFAOUFSQGY-UHFFFAOYSA-N 379.460 5.761 5 40 GKBB Cc1cc(C)cc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])c1 868180 SJVXAFRORUKUCC-UHFFFAOYSA-N 387.395 5.721 5 40 GKBB aggregator CCCCCCn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 2408622 ZHFVZHYIPFIROE-UHFFFAOYSA-N 392.503 5.295 5 40 GKBB C[C@@H](Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 40158461 IVEAJTTXRAEISW-OAHLLOKOSA-N 376.416 5.412 5 40 GKBB COc1ccc2c(c1)c1nc3cc4ccccc4cc3nc1n2Cc1ccccc1 2066751 UPJKWNNCLGGISQ-UHFFFAOYSA-N 389.458 5.948 5 40 GKBB Cn1c(-c2cc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)nc2ccccc21 23190980 KSWKONQGLSHIMS-UHFFFAOYSA-N 380.407 5.364 5 40 GKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 107762438 HOPPTYHYCPGORD-FQEVSTJZSA-N 395.798 5.029 5 40 GKBB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 824709 MKETVUCQMQQTNJ-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB Cc1ccc(-c2csc(/C=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1 6205362 BYJBFNHLPLIOPC-ZRDIBKRKSA-N 388.448 6.457 5 40 GKBB COCCCN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409235266 ZHGRNDLJVHDWTI-XSFVSMFZSA-N 377.465 5.066 5 40 GKBB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1 1505835 ZXHQSKPJPXBQNB-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 5369701 NXISPJHWCYXZSO-YFXJRYMSSA-N 394.515 5.698 5 40 GKBB COc1ccc(Br)cc1/C=C/c1ccc2c([N+](=O)[O-])cccc2n1 6538572 QIGRUUGYCDTHFX-FNORWQNLSA-N 385.217 5.085 5 40 GKBB O=C(Cc1ccc(Cl)cc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409176369 LQVQGXAZSQYSHP-UHFFFAOYSA-N 397.814 5.326 5 40 GKBB CCc1cc2c(-c3cc4c(ccc5ccccc54)oc3=O)cc(=O)oc2cc1OC 2096806 IZVNNBYTXZFJBB-UHFFFAOYSA-N 398.414 5.291 5 40 GKBB biogenic O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344876 XGTHAYIBGQYGDD-CHWSQXEVSA-N 385.634 5.297 5 40 GKBB Cc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1[N+](=O)[O-] 6221169 WEFIJTZEIUJTDW-UHFFFAOYSA-N 382.803 5.601 5 40 GKBB CC(C)(C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 7844587 BLCBNQVDGKRMCP-UHFFFAOYSA-N 396.472 5.181 5 40 GKBB COC(=O)c1ccc(CSc2nc3ccccc3c3nc4ccccc4n23)cc1 12564876 SBVSRDYOEUPTIF-UHFFFAOYSA-N 399.475 5.115 5 40 GKBB CC1(C)CC2=Nc3ccccc3N[C@H](/C=C/c3ccccc3[N+](=O)[O-])C2=C(O)C1 102487153 BIXQVCNQNAXCRR-IENJSVCTSA-N 389.455 5.807 5 40 GKBB O=C1N[C@@H](c2c3ccccc3cc3ccccc23)Nc2sc3c(c21)CCCC3 2052831 XMFWEIXFDUVQTI-JOCHJYFZSA-N 384.504 5.787 5 40 GKBB O=[N+]([O-])c1cccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nn2)c1 12550340 WQEUXFNQUSHDRQ-UHFFFAOYSA-N 393.406 5.262 5 40 GKBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 33374185 NXISPJHWCYXZSO-LEOXJPRUSA-N 394.515 5.698 5 40 GKBB Cc1noc(/C=C\c2cccc(OCc3c(F)cccc3Cl)c2)c1[N+](=O)[O-] 408544141 SJOGXEDCBDHGQW-HJWRWDBZSA-N 388.782 5.433 5 40 GKBB Cc1cc(OC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(Br)cc1Cl 1560700 UZVRJBQNSIKFLC-UHFFFAOYSA-N 399.628 5.238 5 40 GKBB COc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1Br 6646536 BBFNHIFWCUSTDB-XVNBXDOJSA-N 391.246 5.146 5 40 GKBB CC(C)N(C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)C(C)C 408975739 MGVMCXPXGCMQAX-UHFFFAOYSA-N 377.517 5.080 5 40 GKBB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409119115 VWJBDNNJHSHLAI-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 846071 DCKXATYLTIZDBB-UHFFFAOYSA-N 384.800 5.145 5 40 GKBB Cn1c(-c2ccccc2)c([C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)c2ccccc21 2708422 GAFQWOQPVLRJCK-HXUWFJFHSA-N 390.870 5.907 5 40 GKBB Cc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2n1 20759754 JBKDUNINYPUUDJ-UHFFFAOYSA-N 398.344 5.323 5 40 GKBB CCCC[C@H](CC)CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223425128 NZOZTTYMMYDTRA-RMDTYCCRSA-N 380.488 5.468 5 40 GKBB COc1cccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)c1 408977348 WWRPSKKAVMKWJV-UHFFFAOYSA-N 385.448 5.259 5 40 GKBB CCCCOc1ccccc1Cn1c2ccc(C)cc2c2nc3ccccc3nc21 2209083 JMDJOUWMVVGYJE-UHFFFAOYSA-N 395.506 6.273 5 40 GKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1[N+](=O)[O-] 4613389 GFEPLTKMMVDXNY-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB CCc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2CC)n1 4619069 SSRUMWZKFMZUHJ-UHFFFAOYSA-N 377.448 5.305 5 40 GKBB Cc1sc2nc(-c3cccs3)nc(Oc3cccnc3[N+](=O)[O-])c2c1C 5638234 HSLKJKVPVWKHDI-UHFFFAOYSA-N 384.442 5.132 5 40 GKBB Cc1ccc([C@H](C)Nc2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])cc1 15833921 KPNFWAFCKYSLNL-AWEZNQCLSA-N 390.399 5.386 5 40 GKBB CCOc1ccc([C@@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OCC 1070479 BZZSKRSKMWRVNT-QHCPKHFHSA-N 391.423 5.389 5 40 GKBB COc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc([N+](=O)[O-])c3)c2)cc1 13283786 JJCJUSIFRVLOPB-UHFFFAOYSA-N 382.419 5.999 5 40 GKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Cl)cccc12 17078386 BWFYTZRILZSFLI-UHFFFAOYSA-N 383.816 5.263 5 40 GKBB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 970785 VVLFPAIBUWBPKD-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB CC(C)(C)c1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2112576 WYXLZVBBSQJQDD-UHFFFAOYSA-N 385.463 5.600 5 40 GKBB biogenic O=c1oc2c3c(ccc2c2ccccc12)OCN(c1cccc(C(F)(F)F)c1)C3 2113319 HRNBDGZCODWZQA-UHFFFAOYSA-N 397.352 5.322 5 40 GKBB biogenic c1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 3114865 IEOORXAQXANJJY-RQZHXJHFSA-N 387.442 6.362 5 40 GKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2)o1 17081781 NKFWFXNGCTXQHC-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB Cc1ccc(Sc2ccc(-c3nc4ccccc4s3)cc2[N+](=O)[O-])cc1 409195471 VBBOCVYIMRPJAY-UHFFFAOYSA-N 378.478 6.331 5 40 GKBB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N+]2(C)CCCCCC2)cc1 36631479 WBEGSLGIHPIBAR-OAQYLSRUSA-N 376.605 5.161 5 40 GKBB CC(C)c1oc([C@H]2CCCN2c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 84622417 HUDHXJBQODTXKT-LJQANCHMSA-N 377.444 5.715 5 40 GKBB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2c(C)c(O)ccc23)cc1 96116136 FNXJBOIUEHUDMR-UHFFFAOYSA-N 387.439 5.601 5 40 GKBB biogenic CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccccc2)cc1 226068937 QYYODHWKRVHOOK-HSZRJFAPSA-N 398.611 5.417 5 40 GKBB O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408618766 GKICNMUBEICGCV-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=C(O)c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc3ccccc3c12 677615 AZYSDFSSHMWMCK-UHFFFAOYSA-N 383.378 6.152 5 40 GKBB O=C(Nc1nc2ccccc2s1)c1sc2c([N+](=O)[O-])cccc2c1Cl 8072070 HOCNLCNRCDKNPA-UHFFFAOYSA-N 389.845 5.325 5 40 GKBB Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)Nc1ccc(Cl)cc1 3027708 OIWFSUNRXZDOGR-UHFFFAOYSA-N 399.233 5.209 5 40 GKBB CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 13946231 FXSWJCQSAXKGMU-JQIJEIRASA-N 390.439 5.849 5 40 GKBB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])o1 102690642 MFXZFJDVTDAMJA-FQEVSTJZSA-N 395.415 5.000 5 40 GKBB Cc1cc2n(n1)[C@@H](c1c3ccccc3cc3ccccc13)Nc1c(C)cccc1-2 2178861 UVOWAOCSNCYDGN-SANMLTNESA-N 375.475 6.446 5 40 GKBB Cc1ccc(-c2nn3c4cc(N5CCCC5)ccc4nc3c3ccccc23)cc1 4739208 XAOOCSONUQBLEF-UHFFFAOYSA-N 378.479 5.611 5 40 GKBB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1c2ccccc2cc2ccccc12 408837908 APMZTNVOKNYJRO-CHLZUDKUSA-N 375.427 6.003 5 40 GKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Oc2ccccc2)cc1 949338 GNKXXIIXHZFOLQ-UHFFFAOYSA-N 391.408 5.249 5 40 GKBB O[C@H](c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12)[C@@H]1CCCCN1 1567992 DAGCDWKOQHGGEX-VQTJNVASSA-N 393.836 5.841 5 40 GKBB CC(C)(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 27749741 LWQLOXZLZIXLAU-UHFFFAOYSA-N 389.455 5.134 5 40 GKBB O=c1c2ccc3oc4ccccc4c4ccc(c(=O)n1-c1ccc(Cl)cc1)c2c34 95471042 QUFQFKQHFWPWTK-UHFFFAOYSA-N 397.817 5.495 5 40 GKBB Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 409119555 QBYJLLUXZNJRDQ-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccccc1Cl)c1c(-c2ccccc2)n(O)c2ccccc12 723810 JLCOEUDRHPWHTO-SFHVURJKSA-N 392.842 5.608 5 40 GKBB CC1(C)c2ccccc2N(Cc2ccccc2)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2274956 SVDIELCXLAOHIR-RUZDIDTESA-N 398.462 5.695 5 40 GKBB biogenic Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 9668609 FQHKMKMNEYWUJD-UHFFFAOYSA-N 398.344 5.323 5 40 GKBB O=C(Nc1ccc(F)c(Cl)c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57313895 KZIWTFGJQYGDMM-UHFFFAOYSA-N 385.203 5.508 5 40 GKBB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247447774 YWFVNHVVWQBRRW-XLZCKVLHSA-N 398.846 5.243 5 40 GKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4893823 DESPUQOYBKEOEB-UHFFFAOYSA-N 376.290 5.126 5 40 GKBB Cc1c(NC(=O)N2c3ccccc3Sc3ccccc32)cccc1[N+](=O)[O-] 13717217 NEJKPJQIGQSOFP-UHFFFAOYSA-N 377.425 5.738 5 40 GKBB O=c1c(-c2ccccc2)c(O)c2ccc3c4ccccc4sc4ccc1c2c43 6530223 XBSNQATZLMNDPW-UHFFFAOYSA-N 378.452 6.532 5 40 GKBB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 248318871 PIETTXKDJKJUJR-NUXPGQICSA-N 392.455 5.068 5 40 GKBB Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])ccc1Cl 868203 DZZIQLYESOKUPY-UHFFFAOYSA-N 391.814 5.959 5 40 GKBB Cc1ccc(-n2nc(C)c(-c3ccccc3O)c2-c2cccc([N+](=O)[O-])c2)cc1 2338143 ITYSISCKRHBXNZ-UHFFFAOYSA-N 385.423 5.437 5 40 GKBB CN(C)c1ccc([C@@]2(Cl)c3ccccc3N(C)c3ccc([N+](=O)[O-])cc32)cc1 5852272 JRTKCQUIHQNKSO-JOCHJYFZSA-N 393.874 5.273 5 40 GKBB Cc1ccc2c(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cccc2n1 13946223 QAEUGMWRYXKVMQ-UHFFFAOYSA-N 397.843 5.572 5 40 GKBB O=[N+]([O-])C[C@H](c1ccccc1OCc1cccc(F)c1)c1c[nH]c2ccccc12 408573586 TXFNOIQFOYFDIU-OAQYLSRUSA-N 390.414 5.295 5 40 GKBB CC[N+](CC)(CCOc1ccc(C(C)(C)CC(C)(C)C)cc1)Cc1ccccc1 1726058 BSFQRHLBLCUWLG-UHFFFAOYSA-N 396.639 6.836 5 40 GKBB Cc1cc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCCCC2)ccc1C(C)C 226072689 MUUMNMYJCUNMMG-XMMPIXPASA-N 396.595 5.449 5 40 GKBB CCCn1c2ccccc2c2nc3cc(OC(C)C)c(OC(C)C)cc3nc21 1471330 NXHJVOPWQCGACQ-UHFFFAOYSA-N 377.488 5.722 5 40 GKBB O=[N+]([O-])c1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)sc3n2)cc1 16492329 LNLBEGUXRUEMSP-UHFFFAOYSA-N 397.459 6.305 5 40 GKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 408613206 XZTNSMANUJBHGK-UHFFFAOYSA-N 392.455 5.493 5 40 GKBB CC/C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1 1849472 BRNGYAFDUAROCE-CYYJNZCTSA-N 386.559 6.141 5 40 GKBB CCCCCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCCCCC 4837398 PZQARKAWBDTQSP-UHFFFAOYSA-N 398.764 7.421 5 40 GKBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1ccc(Cl)c(Cl)c1 4981050 DMPDZZNDYXQQOV-UHFFFAOYSA-N 379.159 5.102 5 40 GKBB Cc1cccc(C)c1Nc1nc(C)c([N+](=O)[O-])c(Nc2c(C)cccc2C)n1 5390607 JZRDZDBZAOVQFT-UHFFFAOYSA-N 377.448 5.414 5 40 GKBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Cl 1436522 GJLNFJWYEQIEEE-UHFFFAOYSA-N 384.844 5.652 5 40 GKBB Cc1ccc([C@@H]2C[C@H]2c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 13643592 VRNKRRHPRBRCPM-JKSUJKDBSA-N 385.496 5.084 5 40 GKBB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2F)c(Cl)cc1[N+](=O)[O-] 72229244 LSNSCGZXPLBAQR-GFCCVEGCSA-N 391.830 5.018 5 40 GKBB COc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 205752378 RFWYNSPIRPWPNM-OAQYLSRUSA-N 376.412 5.030 5 40 GKBB CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 408621957 NPYWOLQUYNJIBP-UHFFFAOYSA-N 393.443 5.262 5 40 GKBB CC(=O)c1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408975781 NGHREVCWMPYGBG-UHFFFAOYSA-N 397.459 5.453 5 40 GKBB O=[N+]([O-])c1cc(Oc2c(F)cc(C(F)(F)F)cc2F)ccc1Br 1504250510 XVRQSYSURLPFDW-UHFFFAOYSA-N 398.081 5.447 5 40 GKBB CCCCCn1c2ccccc2c2nc3cc(OCC)c(OCC)cc3nc21 2690594 QPBRDXNJVAFGKT-UHFFFAOYSA-N 377.488 5.725 5 40 GKBB O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1Cl 3090434 XATNHKCJLXNEAC-UHFFFAOYSA-N 387.222 5.821 5 40 GKBB O=[N+]([O-])c1cccc(NCc2cn(Cc3ccccc3F)c3ccccc23)c1 408558719 VIISYQGICLLEHU-UHFFFAOYSA-N 375.403 5.349 5 40 GKBB CCCCCCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1ccccc1 252671664 NXRQWMVIEOEZKG-UHFFFAOYSA-N 381.501 5.938 5 40 GKBB Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] 61432032 XUXAGEUCBKVUDZ-UHFFFAOYSA-N 399.406 5.478 5 40 GKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccccc2)cc1 218047586 FTFDMFCYOTYTHF-UHFFFAOYSA-N 394.452 5.259 5 40 GKBB Cc1cc(Nc2ccc3c(c2)nc2cc(C)c4ccccc4n23)nc2ccccc12 1875027 DGOLUPWPNLXVGI-UHFFFAOYSA-N 388.474 6.549 5 40 GKBB C[C@H](Oc1cc(Cl)ccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6551687 PCNWXHQREJQCQJ-VIFPVBQESA-N 380.187 5.092 5 40 GKBB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 21595553 MEPJMYONQYDCLL-DHZHZOJOSA-N 398.802 5.169 5 40 GKBB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1 409094946 GPPNKIJMBJKWNM-ZDLGFXPLSA-N 382.372 5.079 5 40 GKBB CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 409118595 RPVFIPVXYZGXKM-UHFFFAOYSA-N 378.428 5.185 5 40 GKBB CCN(CC)[C@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 1729638 NVQRSFKDVZIWIW-CQSZACIVSA-N 384.317 5.669 5 40 GKBB CCCC1CCC(c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 3584786 UEWOQRIJLGNFBQ-UHFFFAOYSA-N 391.471 6.386 5 40 GKBB O=[N+]([O-])c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5172913 PXOZRBGGHQEYRJ-UHFFFAOYSA-N 380.447 5.999 5 40 GKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccccc2F)cc1)c1c[nH]c2ccccc12 408570620 LPZRXWGPDFKVOU-OAQYLSRUSA-N 390.414 5.295 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc(Br)c1)N2 408997104 RCYPTBYXWJQTJP-GPQGAXSRSA-N 399.288 5.654 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1Cl)N2 409000969 OFOQECLEJFTHFB-NYVOZVTQSA-N 376.843 5.719 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 409001730 QZVSWUXTYPCXOH-GPQGAXSRSA-N 388.389 5.910 5 40 GKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc([N+](=O)[O-])c1 940235 WRGOLRONNXPDDR-UHFFFAOYSA-N 387.395 5.217 5 40 GKBB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)c1 5033234 RIHUSOVBGOTFSL-UHFFFAOYSA-N 384.819 5.686 5 40 GKBB CC(=O)Nc1c(Cl)c(Cl)c2nc(O)c3cc(Cl)ccc3c2c1Cl 8627893 VFMMLYIWOCSVKB-UHFFFAOYSA-N 390.053 5.666 5 40 GKBB Cc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 27750150 NQFLGOPYKXJWMV-HSZRJFAPSA-N 399.450 5.246 5 40 GKBB C[C@@]1(c2ccccc2)CCN2CC[C@](C)(c3ccccc3)c3c([N+](=O)[O-])ccc1c32 253575574 UTXMBGTUNZEMLI-IZZNHLLZSA-N 398.506 5.821 5 40 GKBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 408573974 UHWBOUGKMDLAAQ-HXUWFJFHSA-N 396.516 5.118 5 40 GKBB CCCCN(CCCC)CCC[C@@H](O)c1c2ccccc2nc2ccccc12 5421827 GZZVQSZPXMFPEJ-XMMPIXPASA-N 378.560 6.104 5 40 GKBB Cc1cc2c(cc1C)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(O)CC(C)(C)CC1=N2 102649237 ULNHFYQGTZCOJL-QFIPXVFZSA-N 391.471 6.083 5 40 GKBB O=C(/C=C/c1ccccc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409177701 GKJGMGWBWSSBNJ-NTEUORMPSA-N 375.380 5.144 5 40 GKBB CCN(CC)[C@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1676790 SKMUISXCBIYNJN-SPLOXXLWSA-N 386.333 5.519 5 40 GKBB CCOC(=O)c1cc(-c2ccc3ccccc3n2)c(O)c2cc3ccccc3nc12 5422571 OCTWLNGWNHRLBM-UHFFFAOYSA-N 394.430 5.486 5 40 GKBB O=C(Nc1ccc2c3c(cccc13)CC2)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372870 OWWFLJPMSBCIJN-UHFFFAOYSA-N 386.451 5.297 5 40 GKBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2[C@@H](C)CC 2441736 LKYDWMRDDVDDNF-HNNXBMFYSA-N 391.519 5.154 5 40 GKBB CC[C@H](C)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 59294589 FXIOUJQXRCJHJE-KRWDZBQOSA-N 395.503 5.597 5 40 GKBB CCCCc1cc(-c2ccc(Br)cc2)nc2ccc3ccccc3c12 9239157 VIXOBZQIKCRODK-UHFFFAOYSA-N 390.324 7.160 5 40 GKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 104586755 SIZAFFGAILAMNS-UDBGOSAKSA-N 399.834 5.453 5 40 GKBB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1c2ccccc2cc2ccccc12 2816646 IDIAEJSCRSLAQD-HYARGMPZSA-N 383.834 5.991 5 40 GKBB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc([N+](=O)[O-])cc2)cc1 408609089 NVEBIVCAOHSMLU-UHFFFAOYSA-N 398.462 6.248 5 40 GKBB Cc1ccc(C)c(S(=O)(=O)Nc2cc(C)nc3c2ccc2ccccc23)c1 40384458 BPRPINXRJAEMAS-UHFFFAOYSA-N 376.481 5.114 5 40 GKBB Cc1ccc2c(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cccc2n1 57316218 WYNKFBLWQCYOPA-SDNWHVSQSA-N 399.406 5.363 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cc(Cl)c(Cl)cc1Cl 1708965 CWRUEJSXOXKZTB-UHFFFAOYSA-N 386.540 6.366 5 40 GKBB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc([N+](=O)[O-])c1 675123 JNAKRYBLKSYKFK-UHFFFAOYSA-N 394.239 5.277 5 40 GKBB CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)c2c(ccc3ccccc32)n1 3618006 GMLVFBSIXGNMKP-UHFFFAOYSA-N 383.491 6.529 5 40 GKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 6322134 GSETURSCBFMRJN-UHFFFAOYSA-N 383.787 5.398 5 40 GKBB C[C@H](Nc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-])c1ccccc1 8586907 YZDKCIBKIVREMC-ZDUSSCGKSA-N 376.372 5.078 5 40 GKBB CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@@H]1O[C@@H]3c1cccc([N+](=O)[O-])c1 12402503 TVXJXQLIRDPFDY-OXFYSEKESA-N 381.428 5.248 5 40 GKBB Cc1ccc(NC2=C[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(C)cc3)C2=O)cc1 100100733 MUTHYBKIMBAQIC-QHCPKHFHSA-N 399.450 5.296 5 40 GKBB Cc1noc(/C=C/c2cn(Cc3ccccc3F)c3ccccc23)c1[N+](=O)[O-] 408543240 OEYNAYDIZVKUSE-ZHACJKMWSA-N 377.375 5.204 5 40 GKBB Cc1c(Cl)cccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408908695 XYRCJYGZBPPNPE-XMHGGMMESA-N 392.842 5.736 5 40 GKBB Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 863011 DCGCNBJOZYVMQI-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccc(Cl)cc1Cl)N2 226333037 NNPGXNNMHLKNCA-INWQGPQCSA-N 389.282 6.198 5 40 GKBB CCOc1cc(CNc2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409113304 AGWMRNNQGOACLJ-UHFFFAOYSA-N 392.455 5.493 5 40 GKBB CC1(C)[C@H]2CC[C@H](C2)[C@H]1C[C@@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 217336471 FPLFYPVTBGXHRG-ZLOLNMDISA-N 398.611 5.391 5 40 GKBB Cc1nc2c(sc3nc4ccccc4cc32)c(=O)n1-c1ccc(Cl)cc1 643065 RJSYSGQRYSTILH-UHFFFAOYSA-N 377.856 5.110 5 40 GKBB c1ccc(-c2nc(-c3c4ccccc4cc4ccccc34)[nH]c2-c2ccccc2)cc1 4714776 UBTQCXUORSAVEL-UHFFFAOYSA-N 396.493 7.717 5 40 GKBB COc1ccccc1OCCn1c2ccc(C)cc2c2nc3ccccc3nc21 5234829 AVDXJLZBCYVQQI-UHFFFAOYSA-N 383.451 5.134 5 40 GKBB O=[N+]([O-])c1cccc(-c2nc(Nc3ccccc3Cl)c3ccccc3n2)c1 8994182 USWVTGJLJIHQIB-UHFFFAOYSA-N 376.803 5.602 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1ccc(-c2nnco2)cc1 12622735 JQPUIQLKDZTDLB-UHFFFAOYSA-N 385.685 5.109 5 40 GKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 408998990 RBUPAVISLCGXNE-KQNBPIEESA-N 398.846 5.243 5 40 GKBB Cc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 14577225 HXPJFMGLDCJFRI-HXUWFJFHSA-N 380.831 5.076 5 40 GKBB O=[N+]([O-])c1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716523 FJNDYZVORTVWMR-BJKOFHAPSA-N 382.419 5.518 5 40 GKBB O=C(O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247341067 SCPPQCMJQPSDRV-BFNFZNEGSA-N 398.846 5.243 5 40 GKBB Cc1nn(-c2cc(Cl)ccc2Cl)c(C)c1-c1cc([N+](=O)[O-])ccc1Cl 4502130 YLUYPAVFWWGVKL-UHFFFAOYSA-N 396.661 6.025 5 40 GKBB CN(C)c1ccc(-c2cnc3c4ccccc4c(=O)n4c5ccccc5c2c34)cc1 6624386 VYMBNMHJCVMMRW-UHFFFAOYSA-N 389.458 5.325 5 40 GKBB biogenic CC[N+]1(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CCCCCC1 36631482 CQBREBZZSMICJK-JOCHJYFZSA-N 390.632 5.551 5 40 GKBB O=C1N/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccccc1F 409102235 VNDPZCAODSVGJE-OEAKJJBVSA-N 396.421 5.225 5 40 GKBB Cc1ccc(C2=N[C@@H]3C=CC=C[C@@H]3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4071786 HXIHDRLMICWHIA-HJNYFJLDSA-N 376.481 5.434 5 40 GKBB CC1(C)[C@@H](C[C@@H]2OC[C@H](C[N+]3(Cc4ccccc4)CCCCC3)O2)[C@H]2CC[C@@H]1C2 4950458 FPLFYPVTBGXHRG-VMAPGKTHSA-N 398.611 5.391 5 40 GKBB COC(=O)/C=C\C=C(C)/C=C/C=C(C)\C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)O 5411769 PETQSXXQDKKRJS-FESMYMLSSA-N 394.511 5.810 5 40 GKBB FC(F)(F)c1cccc(NC(=S)Nc2cc3ncccc3c3cccnc23)c1 408975570 NECVFFGZQKYEMI-UHFFFAOYSA-N 398.413 5.611 5 40 GKBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(-c2ccccc2)cc1 4177447 FBTRTNOREZLGEZ-SGEDCAFJSA-N 390.442 5.584 5 40 GKBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])C1 32980011 XVHLEMCCBAHSCJ-INIZCTEOSA-N 389.455 5.237 5 40 GKBB Cc1ccc(Sc2ccc(CSc3ccc(F)cc3)cc2[N+](=O)[O-])cc1 4085091 ZHYBSDYGWAGIIR-UHFFFAOYSA-N 385.485 6.486 5 40 GKBB CSc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 7344634 ASYWAIQBMVXNFP-UHFFFAOYSA-N 378.453 5.160 5 40 GKBB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 1410895 MNXSOSZJYWAUOX-UHFFFAOYSA-N 380.014 5.461 5 40 GKBB C[C@]12CC[C@H]3c4ccc(Cc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4946139 QABYAMHXIHGLLY-LCXINAFSSA-N 389.495 5.611 5 40 GKBB CC(C)(C)c1ccc(C2=Nc3ccccc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 6075432 IVCIGZAOYHXLPI-UHFFFAOYSA-N 398.466 5.326 5 40 GKBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12 6598192 CZESRRMTTQEEED-UHFFFAOYSA-N 384.391 5.167 5 40 GKBB Cc1ccc(NC2=C[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(C)cc3)C2=O)cc1 100100730 MUTHYBKIMBAQIC-HSZRJFAPSA-N 399.450 5.296 5 40 GKBB Cc1cc(C)c2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 408623926 VHPWAAHRNUUWMX-GQCTYLIASA-N 387.848 5.127 5 40 GKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1c2ccccc2CCc2ccccc21 1300617 UEKHHYCWOUVBNP-UHFFFAOYSA-N 378.815 5.325 5 40 GKBB CCCC[C@H](CC)COC(=O)c1cc([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1 1679578 UAFFLWKAEZWBJJ-ZDUSSCGKSA-N 380.441 5.174 5 40 GKBB S=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3ccccc3nc2c1 6270144 SZGQBIKJZFJQBY-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB O=[N+]([O-])c1ccc(/C=C\c2nc(N3CCCCC3)c3ccc(Cl)cc3n2)cc1 33871552 HUKFLSPHJOHQSM-WDZFZDKYSA-N 394.862 5.352 5 40 GKBB O=S(=O)(Nc1ccnc2c1ccc1ccccc12)c1ccc2ccccc2c1 40384355 YJFSWTMXIOCSFN-UHFFFAOYSA-N 384.460 5.342 5 40 GKBB Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])[C@H](C)c2ccc(Cl)cc2)oc1C 89558288 AJIBUYGYKAKVNW-OAHLLOKOSA-N 399.878 5.616 5 40 GKBB CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1ccccc1[N+](=O)[O-])CCCC3 2290034 WULUFRGKRNUQBQ-UHFFFAOYSA-N 393.439 5.737 5 40 GKBB N=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Cl)cc2)cs1 4785997 AJRVKVBDWXZRCW-UHFFFAOYSA-N 388.879 6.509 5 40 GKBB CC1(C)[C@H]2CC[C@H](C2)[C@H]1C[C@H]1OC[C@H](C[N+]2(Cc3ccccc3)CCCCC2)O1 136042780 FPLFYPVTBGXHRG-MQZWXTIWSA-N 398.611 5.391 5 40 GKBB Cc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1Cl 2114032 PVPKBNDEEZCEQP-UHFFFAOYSA-N 391.854 5.573 5 40 GKBB biogenic O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(Cl)c2Cl)o1 4813889 ZDRWTLIANHKZKV-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB CC[C@@H]1Oc2cccc(-c3c4ccccc4cc4ccccc34)c2P1C(C)(C)C 1772769079 QPWCJINMYWPGIX-OEXUWWALSA-N 398.486 7.694 5 40 GKBB COc1cccc2cc(C(=O)c3ccc(Cl)cc3)c3nc4ccccc4n3c12 6652188 IJTJQOSWWWOGTI-UHFFFAOYSA-N 386.838 5.534 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccc(Cl)cc1Cl)N2 226333043 NNPGXNNMHLKNCA-IKEVUCQUSA-N 389.282 6.198 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(Cl)c1)N2 408994912 HUQOFUAMUHUCSY-BAGYTPMASA-N 376.843 5.719 5 40 GKBB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 828367 GJMWWFNRZSYREK-HRAATJIYSA-N 387.439 5.187 5 40 GKBB Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c(C)c1 4659485 MTOSENPDGVNQQQ-GXDHUFHOSA-N 397.434 5.081 5 40 GKBB O=[N+]([O-])c1ccc2o/c(=N\O)c(-c3nc(-c4ccc(Cl)cc4)cs3)cc2c1 4673538 JIQVWYAGHCTGJT-FXBPSFAMSA-N 399.815 5.075 5 40 GKBB Cc1ccc(C(=O)CCC(=O)OCc2nc3ccccc3c3ccccc23)s1 6607757 SZFWMFKDZVWJEO-UHFFFAOYSA-N 389.476 5.464 5 40 GKBB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])cc1 1513961 QXDMWBWVPZJPCM-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Cl)c2ccccc2c1O 4014160 GUOSKFIQPKLZDF-UHFFFAOYSA-N 377.183 5.013 5 40 GKBB Cc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1[N+](=O)[O-] 408575648 OOFKTUYGTNQHOJ-UHFFFAOYSA-N 378.453 5.448 5 40 GKBB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] 834092 FOMLOVSEKYJZMI-UHFFFAOYSA-N 380.014 5.461 5 40 GKBB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 7072908 RZYPLFLKFUPUER-GFCCVEGCSA-N 376.840 5.088 5 40 GKBB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1 104351304 RNTXUYUYRDQYCG-CAOCKLPOSA-N 384.479 6.189 5 40 GKBB Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408616865 AHECYNFYYCAMFY-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)cc2ccccn12 3260257 FJJVUSJKAAWBCU-OAQYLSRUSA-N 376.843 5.668 5 40 GKBB COC(=O)/C=C\C(C)=C\C=C/C(C)=C/C=C/C=C(C)\C=C/C=C(C)/C=C\C(=O)O 5132150 RAFGELQLHMBRHD-YODMCGNVSA-N 394.511 5.810 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)nc(/C=C/c1ccccc1)n2-c1cccc(Cl)c1 6813844 GHFMHTDJFLAGEE-FMIVXFBMSA-N 375.815 5.758 5 40 GKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cl 409183861 UHFREZBUUCVICW-UHFFFAOYSA-N 383.787 5.398 5 40 GKBB CCCCN(CCCC)CC[C@](C)(O)c1cc2ccccc2c2ccccc12 1596787 LLDWBNYZWKMENS-SANMLTNESA-N 377.572 6.493 5 40 GKBB O=[N+]([O-])c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 6332814 FLKLJKNOLDRAEB-UHFFFAOYSA-N 381.276 5.259 5 40 GKBB Cc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)c1 72229107 YTAKDJBPASBZOG-CQSZACIVSA-N 387.867 5.188 5 40 GKBB CC(C)(C[C@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 217978985 DCAMMSCJGRCAJR-PZUNEJSGSA-N 382.612 6.260 5 40 GKBB C1=Cc2cc3ccc(cc4[s+]c(cc5ccc(cc1[s+]2)s5)C=C4)s3 3849413 UGVVPBDNOIYSJU-UHFFFAOYSA-N 380.584 8.018 5 40 GKBB biogenic Cc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 6480145 LIVBTYNFARNUIS-UHFFFAOYSA-N 398.418 5.475 5 40 GKBB O[C@@H](c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12)[C@@H]1CCCCN1 1567991 DAGCDWKOQHGGEX-PMACEKPBSA-N 393.836 5.841 5 40 GKBB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 5687607 VKAFGILWUYXMQK-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB O=[N+]([O-])c1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)ccc12 6085434 JRCTULQFHOCPLT-FMIVXFBMSA-N 382.419 5.892 5 40 GKBB CC(C)=CCC/C(C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 14821965 WOPKDKPJTJHLPB-OQLLNIDSSA-N 380.440 5.429 5 40 GKBB biogenic,in-vitro Cc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])cc1 20897602 XOUBCJIFKLXXLF-UHFFFAOYSA-N 386.411 5.232 5 40 GKBB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 408612400 VSADXMIUCQTLCZ-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB Cc1cccc(Cl)c1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408620896 MSVYBMSVZGNTKT-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4697632 VOMFOUDELWGIPC-JOCHJYFZSA-N 386.451 5.156 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)cc1)N2 408997114 RGLJNDYRDJAPEM-BAGYTPMASA-N 376.843 5.719 5 40 GKBB O=C(Nc1ccc(F)cc1)OCc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 1405593 WXOQGZFGHDDGDM-UHFFFAOYSA-N 398.415 5.634 5 40 GKBB CC[N+](C)(CC)CCNc1cc2c(c3c(=O)c4ccccc4sc13)CCCC2 5389830 PUZAOLIPYHWEFD-UHFFFAOYSA-N 395.592 5.192 5 40 GKBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccnc2c1ccc1ccccc12 40384312 YBNWTCYXQOVDAL-UHFFFAOYSA-N 397.261 5.712 5 40 GKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)c1 5235447 YAZFJXYMBOTMGI-LADGPHEKSA-N 399.450 5.454 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccc(Cl)cc1Cl)N2 6276689 NNPGXNNMHLKNCA-JQWLKLNASA-N 389.282 6.198 5 40 GKBB Cc1nn2c(c1-c1ccccc1)N=C(c1cccc([N+](=O)[O-])c1)C[C@H]2c1ccco1 8570230 UFFSDPGGVSCTNV-FQEVSTJZSA-N 398.422 5.474 5 40 GKBB O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2)c1 24522691 DDQUMUXGOPPCFY-BUHFOSPRSA-N 383.407 5.287 5 40 GKBB CCCC[C@@H](CC)COC(=O)c1cc([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1 5553709 UAFFLWKAEZWBJJ-CYBMUJFWSA-N 380.441 5.174 5 40 GKBB CC(C)(C[C@@H]1O[C@@H]2CCCC[C@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 247960298 DCAMMSCJGRCAJR-CAOCKLPOSA-N 382.612 6.260 5 40 GKBB biogenic Cc1ccc(Cl)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408926987 XCZVHYIXOGKPDD-DEDYPNTBSA-N 392.842 5.736 5 40 GKBB CCn1c2ccccc2c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 3200060 DGJDTEHCCRAGEN-UHFFFAOYSA-N 393.830 5.628 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 408997117 RGLJNDYRDJAPEM-ILWGZMRPSA-N 376.843 5.719 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1ccc(Cl)cc1Cl 2147916 DDZGMDCHVNUYMS-UHFFFAOYSA-N 386.540 6.366 5 40 GKBB O=C(Cc1cccc2ccccc12)OCc1cc(=O)oc2ccc3ccccc3c12 6084680 BONLQJCFWFNIMC-UHFFFAOYSA-N 394.426 5.385 5 40 GKBB Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 19164855 AJAGUSRZDBQBPF-UHFFFAOYSA-N 392.255 5.193 5 40 GKBB O=C(Nc1nc2ccccc2s1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 26947010 TZTRQMYXZSJDRX-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 409179957 QZSHMFCOYPBDOI-FQEVSTJZSA-N 395.798 5.029 5 40 GKBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 2422522 MPVWUFCKULCKDL-CQSZACIVSA-N 389.503 5.079 5 40 GKBB O=[N+]([O-])c1c(Nc2ccc(Oc3ccccc3)cc2)cc(Cl)c2nonc12 5936859 DTKADFSHXOXLMW-UHFFFAOYSA-N 382.763 5.320 5 40 GKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(Cl)ccc1O 6526753 YGDOIWRFESXLDN-UHFFFAOYSA-N 399.786 5.103 5 40 GKBB CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1cccc([N+](=O)[O-])c1)CCCC3 2282178 MBRCJTRCCBBYQN-UHFFFAOYSA-N 393.439 5.737 5 40 GKBB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nc2c1 2315819 OMUMAAZCFGCPHN-UHFFFAOYSA-N 391.383 5.372 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc3c4c(cccc14)CC3)N2 408995586 KCNCHNWLYCNVNS-LNLJWIGCSA-N 396.490 6.143 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1cccc2ccccc12 4181166 ZWJGTPSFFXNQNG-UHFFFAOYSA-N 376.334 5.258 5 40 GKBB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 30758495 WVKZJVRNLKQNKP-IBGZPJMESA-N 384.819 5.198 5 40 GKBB O=[N+]([O-])c1ccc(C2=NNC(c3ccccc3)=Nc3c2ccc2ccccc32)cc1 4954635 XIYPFIUGBTZKLM-UHFFFAOYSA-N 392.418 5.182 5 40 GKBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5717548 PVHPZDPHHRYIGK-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 22512771 YJYXNSPMRHSIIP-OZHVRZOASA-N 386.451 5.321 5 40 GKBB O=C(Cc1cccc2ccccc12)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 4070042 NSRZQHDFVXUABR-UHFFFAOYSA-N 389.436 5.053 5 40 GKBB O=C(COc1ccc2ccccc2c1)Nc1ccnc2c1ccc1ccccc12 40384265 ODJKILJAOCFFKL-UHFFFAOYSA-N 378.431 5.559 5 40 GKBB COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C(C)C 223271055 RKUZPPFAEXTYCD-CYBMUJFWSA-N 390.867 5.180 5 40 GKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409116273 PBMIYVRNQVXNAG-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 409002300 SVQYEQUNOONAHF-XWGVYQGASA-N 386.451 5.465 5 40 GKBB CCn1c2ccccc2c(=O)c2c1nc(C1CCCCC1)n1c3ccccc3nc21 6804510 OEVOFGPLPDZCAG-UHFFFAOYSA-N 396.494 5.418 5 40 GKBB Cc1ccc(C(C)C)c(OCCn2c3ccccc3c3nc4ccccc4nc32)c1 2668936 ULLWJEVSFQHXAG-UHFFFAOYSA-N 395.506 6.249 5 40 GKBB O=c1c2ccccc2c2ncc(-c3ccc(Cl)cc3)c3c4ccccc4n1c23 6624302 OBVROWWKNWIHIE-UHFFFAOYSA-N 380.834 5.912 5 40 GKBB biogenic Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1 22258309 GKRGLNWHUAGOQA-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 408621935 MVYCQPSIWGFGNQ-UHFFFAOYSA-N 388.851 5.313 5 40 GKBB C[C@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 4182684 WLVQUVASTAIKQB-LXGFQCHUSA-N 383.536 5.602 5 40 GKBB O=C(Nc1c(F)cccc1F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 14410775 KRCAOAXFQBYGRK-GHRIWEEISA-N 380.350 5.052 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@H]2CCCC[C@@H]2[C@H]2C=CCC[C@@H]21 106534527 ABSHAPYWJDXNFP-WJGLBBAVSA-N 382.612 5.829 5 40 GKBB CCSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 1247149 NWVMZBKYVIJQPQ-UHFFFAOYSA-N 383.546 5.001 5 40 GKBB CCOc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 2650828 OZYDYFGSUAZRDQ-UHFFFAOYSA-N 392.411 5.347 5 40 GKBB Cc1cc2nc(-c3cccnc3Cl)n(Cc3ccc([N+](=O)[O-])cc3)c2cc1C 1397556 YKJQMSKQHTTXDB-UHFFFAOYSA-N 392.846 5.325 5 40 GKBB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 1945837 NBVLOFGKRSLIDY-RMKNXTFCSA-N 385.832 5.024 5 40 GKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc2ccccc12 6864941 VELWUAQUHUUJPV-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB O=[N+]([O-])c1ccc2nc(Nc3nc4cc(-c5ccccc5)ccc4o3)sc2c1 57352641 OQBCNUBNSGYJRF-UHFFFAOYSA-N 388.408 5.756 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccccc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 1463236 YZZSNIYKSNOYFU-IBGZPJMESA-N 376.843 5.897 5 40 GKBB O=[N+]([O-])c1ccc(F)cc1OCc1csc(COc2ccc(Cl)cc2)n1 11521346 MMXMAESKTOCXOM-UHFFFAOYSA-N 394.811 5.002 5 40 GKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 16282639 BWDKNWOEJJZZRW-UHFFFAOYSA-N 389.436 5.432 5 40 GKBB Cc1ccccc1[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 30866053 ZQCTZXBQKLLEMD-FQEVSTJZSA-N 380.831 5.076 5 40 GKBB O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 409256035 JEXAJEKZOCGIOM-UHFFFAOYSA-N 393.380 5.572 5 40 GKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl 408603248 BRFKKHDTGKFVOH-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB O=C(Nc1cc(Cl)ccc1O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 675551 NVVLSGFMFCZWHM-UHFFFAOYSA-N 383.212 5.074 5 40 GKBB COc1ccc(Cn2c3nc4ccccc4nc3c3cc(C)cc(C)c32)cc1OC 5267822 QGBCRPPTPZAMBZ-UHFFFAOYSA-N 397.478 5.420 5 40 GKBB CC(C)(C)c1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 1858013 NDJXNZINVMGHFP-UHFFFAOYSA-N 397.471 5.230 5 40 GKBB CCOC(=O)/C(=C/c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 3009883 MRRFPRCSYHABQW-ULJHMMPZSA-N 395.458 5.327 5 40 GKBB Cc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(F)cc3)C2)cc1 4402360 XHDZZNNAKUQPBX-JOCHJYFZSA-N 375.403 5.398 5 40 GKBB O=[N+]([O-])c1ccc(N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 16711401 BNKJVKISUJVWMJ-LNVKXUELSA-N 388.452 5.042 5 40 GKBB CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409132609 KYUACJGSXJXCDP-UHFFFAOYSA-N 392.455 5.493 5 40 GKBB c1ccc2c(c1)N[C@H](c1c3ccccc3cc3ccccc13)n1c-2nc2ccccc21 12523871 OKTKCNZUUHMSQL-NDEPHWFRSA-N 397.481 6.982 5 40 GKBB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247447752 YWFVNHVVWQBRRW-IFYRHLBMSA-N 398.846 5.243 5 40 GKBB CC[C@@H](C)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 59294588 FXIOUJQXRCJHJE-QGZVFWFLSA-N 395.503 5.597 5 40 GKBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225507765 GYSYEIIXXJRCIV-QGZVFWFLSA-N 396.487 5.531 5 40 GKBB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 825782 FIOWJTDDHQFNPO-QFIPXVFZSA-N 386.451 5.156 5 40 GKBB Nc1ccccc1Sc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 3245174 NFFPXKQQLUZKPK-UHFFFAOYSA-N 388.452 5.181 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(C[C@H](C)c1ccccc1)CO2 20610305 CKEMGGRMAJNXHM-INIZCTEOSA-N 385.463 5.210 5 40 GKBB biogenic Cc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 726037 AZCNXSPCXZJGSC-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[N+](=O)[O-])cc1 1715099 BQYGWJZQQPXFAJ-JTHBVZDNSA-N 375.424 5.070 5 40 GKBB CCCCc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 2116918 ZEOCLGSMEVDSNP-UHFFFAOYSA-N 399.490 5.954 5 40 GKBB biogenic S=C(Nc1ccc2cc3ccccc3nc2c1)N1CC[C@@H](c2ccccc2)C1 7096233 DELGAHVZZOTOFE-HXUWFJFHSA-N 383.520 5.574 5 40 GKBB CCN(CC)CCCNc1ncc(C)c2c1c1ccc3c(O)cccc3c1n2C 1633630 ZGFDERDLOYHFHS-UHFFFAOYSA-N 390.531 5.038 5 40 GKBB Cc1[nH]c(-c2ccccc2)c(C(=O)c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 3058445 NHIKXDPXVHZAEB-UHFFFAOYSA-N 382.419 5.796 5 40 GKBB O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 4014322 NDUQGQYLYKZCSJ-UHFFFAOYSA-N 395.846 5.155 5 40 GKBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SC(F)F 23227493 LUIDMYQWUSGMLA-JTQLQIEISA-N 384.429 5.029 5 40 GKBB CCOc1ccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 38187185 VGBBLFXOZZUJJR-UHFFFAOYSA-N 397.438 5.307 5 40 GKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 6595889 IOISWSQCTHTQGS-FQEVSTJZSA-N 395.798 5.029 5 40 GKBB COc1ccccc1NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 8325213 RNFZSQSKJSEYRV-UHFFFAOYSA-N 398.415 5.146 5 40 GKBB CC[N+]1(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CCCCCC1 36631481 CQBREBZZSMICJK-QFIPXVFZSA-N 390.632 5.551 5 40 GKBB C[C@H]1CCCCN1CCCn1cc(-c2ccc([N+](=O)[O-])cc2)sc1=S 66087819 LNUHETGTSBTIOS-AWEZNQCLSA-N 377.535 5.119 5 40 GKBB Cc1ccccc1NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409120748 SOHMZALICYSMFG-UHFFFAOYSA-N 379.372 5.216 5 40 GKBB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1ccc([N+](=O)[O-])cc1 939212 HFVLOHGJGZNURS-JOCHJYFZSA-N 384.391 5.089 5 40 GKBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1 5876741 LFRQAILMUZYDQM-UHFFFAOYSA-N 393.786 5.309 5 40 GKBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 7986513 TYPQWAXPFHGGDW-UHFFFAOYSA-N 391.427 5.636 5 40 GKBB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2c3ccccc3cc3ccccc23)S1 222568955 SNDMOXQBTGIDPK-XRJVTAMDSA-N 395.531 5.977 5 40 GKBB c1ccc2c(c1)c1ccccc1c1c2sc2c3ccccc3c3ccccc3c21 2558826 XVVNDPCXBLFCTC-UHFFFAOYSA-N 384.503 8.667 5 40 GKBB O=C(c1cccc([N+](=O)[O-])c1)c1sc(Nc2ccccc2)c2c1CCCC2 3241705 UDVUVFCDVNNIRT-UHFFFAOYSA-N 378.453 5.510 5 40 GKBB COc1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)oc1ccccc12 4889026 CFDBMEYFVCFNMG-DHZHZOJOSA-N 388.379 5.155 5 40 GKBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)cc1 5140158 WBAONQJDHLQVPC-UHFFFAOYSA-N 399.454 5.445 5 40 GKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 5900472 HQFOAMFGHAYQOS-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB Cc1nn(C2CCCCC2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)SCC(O)=N2 6785589 RAIAUIAHOPERDU-SFHVURJKSA-N 386.477 5.029 5 40 GKBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc12 1053165 HNTUPOJSOIQLKP-FYWRMAATSA-N 384.391 5.660 5 40 GKBB CCOc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1OC 5234832 NVPJFXZYRSUECF-UHFFFAOYSA-N 383.451 5.193 5 40 GKBB CCn1c2ccccc2c(=O)c2c1nc(-c1cccs1)n1c3ccccc3nc21 5267383 DBPNHEKAOQJPIE-UHFFFAOYSA-N 396.475 5.099 5 40 GKBB Cc1c(NC(=O)c2ccc(CSc3ccccc3)cc2)cccc1[N+](=O)[O-] 8331203 BXUQUFMIUDENKB-UHFFFAOYSA-N 378.453 5.448 5 40 GKBB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 100016546 PIETTXKDJKJUJR-JHMGHEOOSA-N 392.455 5.068 5 40 GKBB C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(F)cc1 22527491 IXQOHDSRPLWIER-QFNCUCFLSA-N 390.414 5.152 5 40 GKBB Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1-c1ccc(F)cc1 41012105 VXGPJLCHCIYENH-UHFFFAOYSA-N 391.811 5.072 5 40 GKBB COc1ccc(N(C)C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408976121 POXHWCFPVRUMKQ-UHFFFAOYSA-N 399.475 5.283 5 40 GKBB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 851420 JPXNTXLYHDUNPK-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB O=[N+]([O-])c1ccc(Cl)c(Cl)c1[C@H]1Nc2cc(Cl)ccc2-c2ccnn21 30952923 OEVASFOVBJUCSQ-INIZCTEOSA-N 395.633 5.391 5 40 GKBB CN(C(=S)Nc1cc2ncccc2c2cccnc12)c1ccc2ccccc2c1 408974896 IEAKGSNVKOQIHT-UHFFFAOYSA-N 394.503 5.769 5 40 GKBB Cc1ccc([C@@H](C)Nc2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])cc1 15833918 KPNFWAFCKYSLNL-CQSZACIVSA-N 390.399 5.386 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 247401873 NNPGXNNMHLKNCA-KQNBPIEESA-N 389.282 6.198 5 40 GKBB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 30755373 HIEFFQKDZZDEFH-SFHVURJKSA-N 384.819 5.198 5 40 GKBB CC[C@H](C)c1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2114701 GGPWXYKVQAMTHK-INIZCTEOSA-N 385.463 5.816 5 40 GKBB biogenic C[C@@H](SC1=Nc2ccccc2CS1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9602161 YMKDQNLLWJLDBF-LLVKDONJSA-N 398.469 5.374 5 40 GKBB CCCc1c2sc3cc(N(CC)CC)ccc3nc-2c2ccccc2c1=O 16678282 HJIDUHLCEXZLTN-UHFFFAOYSA-N 376.525 5.713 5 40 GKBB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 245380265 VFNOCZDRPAHBAQ-LADGPHEKSA-N 399.450 5.320 5 40 GKBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F 408613609 YTCIAKAPJBRMHI-UHFFFAOYSA-N 396.418 5.324 5 40 GKBB CC(C)CCN(CCC(C)C)C[C@H](O)c1ccc2ccc3ccccc3c2c1 1644122 DBSQXIIOQRMASQ-SANMLTNESA-N 377.572 6.421 5 40 GKBB O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9190337 LOBQSJKYMAVTIX-UHFFFAOYSA-N 391.427 5.097 5 40 GKBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(F)c(Cl)c2)cc1 408611535 SXEXSHIPALQDPH-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB Cc1ccc(Cl)cc1N1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1 2159480 NWQJKAKFISRGIW-UHFFFAOYSA-N 391.854 5.573 5 40 GKBB biogenic O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1cccc2cccnc12 2674881 CFSUGXYLNJNWIU-UHFFFAOYSA-N 395.318 5.221 5 40 GKBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl 7949544 IBKGYFPVMRIGDT-UHFFFAOYSA-N 385.203 5.508 5 40 GKBB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 100016656 LMAZZPFMLPSWFB-OZTQZWFPSA-N 392.455 5.068 5 40 GKBB CCCc1nc2c(sc3nc(C)cc(COC)c32)c2nc3ccccc3n12 1067694 FRNJQPWRYARBBQ-UHFFFAOYSA-N 376.485 5.053 5 40 GKBB O=[N+]([O-])c1cccc(CSc2nc3ccccc3c3nc4ccccc4n23)c1 2970598 KASFFTUIAUEPSV-UHFFFAOYSA-N 386.436 5.236 5 40 GKBB CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8071976 OSRNHWBTBSLOOJ-MDJJKAFGSA-N 390.439 6.020 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2cccc(F)c2)cc1)c1c[nH]c2ccccc12 408570705 LXYGTMDKKFJDTC-QFIPXVFZSA-N 390.414 5.295 5 40 GKBB Cc1cc(Cl)ccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408924586 KJLAEFQQRJDZLO-XSFVSMFZSA-N 392.842 5.736 5 40 GKBB Cc1ccccc1-n1c(=S)sc2c1[nH]c(=S)n1c3ccccc3nc21 1775969035 UKEPJXFCVJSESZ-UHFFFAOYSA-N 380.523 5.588 5 40 GKBB Cc1ccc(-c2c3sc4ccccc4nc-3c3cc(C)c(C)cc3c2=O)cc1 67300076 BITJBCPJQFTGMS-UHFFFAOYSA-N 381.500 6.507 5 40 GKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 72229337 OJVQUVDKWOWMKO-UHFFFAOYSA-N 391.830 5.384 5 40 GKBB C[C@@H](Oc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3)C(=O)c1ccccc1 11867589 ZMQPXLAZHGXILN-MRXNPFEDSA-N 398.458 5.475 5 40 GKBB O=C(Nc1cccc(C(F)(F)F)c1)n1c2ccccc2c(=O)c2ccccc21 16525196 QCFAIGLWUWXYDX-UHFFFAOYSA-N 382.341 5.254 5 40 GKBB Cc1cccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1C 4561054 TXRBSGXIKCKUBV-UHFFFAOYSA-N 398.487 6.430 5 40 GKBB CN(C(=O)Nc1cc2cccnc2c2ncccc12)c1ccc2ccccc2c1 6356985 MJJDVGSFHMCVPP-UHFFFAOYSA-N 378.435 5.605 5 40 GKBB O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1 6885020 JZUIKHKHSHPCGU-OAQYLSRUSA-N 377.831 5.604 5 40 GKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)c1 408556399 KGOBBXGXYCUMJC-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 408623990 WDEZHGLZNBYYLE-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc([N+](=O)[O-])o1 17078039 NALHJOIJYANGHL-UHFFFAOYSA-N 382.155 5.112 5 40 GKBB O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408909866 IOGZCXIGKXGRDP-XSFVSMFZSA-N 378.815 5.428 5 40 GKBB Clc1ccc(OCCCn2c3ccccc3c3nc4ccccc4nc32)cc1 2668000 PFNCJJHAHWRCFJ-UHFFFAOYSA-N 387.870 5.860 5 40 GKBB CC(C)(C)c1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 671734 BPMQVGMUILRSQF-IZZDOVSWSA-N 381.457 5.154 5 40 GKBB Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1C 2302743 SSNQZZQUVMDRAQ-UHFFFAOYSA-N 395.422 5.161 5 40 GKBB Cc1nc2sccn2c1-c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 12621548 WIEABGWYLQMXHK-UHFFFAOYSA-N 376.850 5.056 5 40 GKBB Cc1cc(C)c(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c(C)c1 35146722 GVDNGFXHIFKNBU-UHFFFAOYSA-N 392.480 5.924 5 40 GKBB Cc1cccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409115918 IMEIZHXURYCMGW-UHFFFAOYSA-N 393.399 5.524 5 40 GKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)c(Br)c1 4599560 VVEHOWUGGQISNV-UHFFFAOYSA-N 391.265 5.216 5 40 GKBB c1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc23)cc1 4739206 HTVVWUMMYDGKJO-UHFFFAOYSA-N 378.479 5.693 5 40 GKBB O=[N+]([O-])c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)c1 5684875 BYLAILFZUVIZPA-OAQYLSRUSA-N 377.831 5.604 5 40 GKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2sccc2[C@@H]1c1ccccc1 8115176 BTMSITJLUONNNW-IBGZPJMESA-N 398.871 5.098 5 40 GKBB O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3o2)cc1 68603165 SJVUFRDQBFGACL-UHFFFAOYSA-N 382.379 5.256 5 40 GKBB biogenic O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)Nc1ccccc1[N+](=O)[O-] 100919585 DECMOPXKWHOEAY-JSODFGIGSA-N 390.483 5.462 5 40 GKBB Cc1c(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cccc1[N+](=O)[O-] 219765332 HGUBOHAUJLTUJI-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N=C3O)cc2[N+](=O)[O-])cc1 3120869 ZLKNTNKYMFADQE-OQLLNIDSSA-N 388.495 5.384 5 40 GKBB Cc1ccc(-c2cc(C(=O)OCc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 6480146 HSUKYFVTCHHPHW-UHFFFAOYSA-N 398.418 5.475 5 40 GKBB CC1CC[N+](Cc2ccccc2)(C[C@@H](O)COc2ccc3ccccc3c2)CC1 226073056 UMGOIQGLFQSECT-PYLWXJQRSA-N 390.547 5.026 5 40 GKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccc(C)cc3)[nH]c3ccccc23)cc1 946562 USZQKWNLCPCDET-OAQYLSRUSA-N 386.451 5.561 5 40 GKBB CC(C)(C)c1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1 2668688 DPIPRQQQYQZHAJ-UHFFFAOYSA-N 395.506 6.114 5 40 GKBB O=[N+]([O-])c1c(Nc2ccc(Cl)cc2C(F)(F)F)cc(Cl)c2nonc12 4836852 RVAIKOIEWJORRC-UHFFFAOYSA-N 393.108 5.200 5 40 GKBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1SCc1ccsc1 12928810 WPEFBWXHMFTFSG-UHFFFAOYSA-N 384.482 5.130 5 40 GKBB C[N+](C)(C)[C@]1(Cc2ccccc2)c2ccccc2-c2ccc(Br)cc21 5189499 XKNBVDSVEARICB-HSZRJFAPSA-N 393.348 5.622 5 40 GKBB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 7079974 RZYPLFLKFUPUER-LBPRGKRZSA-N 376.840 5.088 5 40 GKBB C[C@@H]1Oc2cccc(-c3c4ccccc4cc4ccccc34)c2P1C(C)(C)C 1772768993 YOXUHULUPBYLBU-WPUOIDIFSA-N 384.459 7.304 5 40 GKBB CCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225508077 KYPUMRCFUQSNRJ-UHFFFAOYSA-N 396.487 5.451 5 40 GKBB Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] 408624752 ZPZUJHCGXYCHHE-ZRDIBKRKSA-N 382.803 5.469 5 40 GKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 408998997 RBUPAVISLCGXNE-UANLFUNTSA-N 398.846 5.243 5 40 GKBB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 409336960 RNTXUYUYRDQYCG-VJTSUQJLSA-N 384.479 6.189 5 40 GKBB O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 2314312 RJASAGYJQAHDMX-UHFFFAOYSA-N 388.448 6.209 5 40 GKBB Nc1ccccc1/C=C/c1cc(/C=C/c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 3845212 VYZGKCNDYZARRL-AQASXUMVSA-N 387.395 5.426 5 40 GKBB O=c1cc(COc2ccccc2Br)c2c(ccc3ccccc32)o1 89873166 WGRCHGAVNVMEAJ-UHFFFAOYSA-N 381.225 5.288 5 40 GKBB Cc1noc(/C=C\c2ccc(-c3ccc(Br)cc3)o2)c1[N+](=O)[O-] 4810111 LHBKVXGPBCIRGX-CLFYSBASSA-N 375.178 5.084 5 40 GKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Cl 6527405 RONGLVZAIGRLFA-UHFFFAOYSA-N 383.787 5.398 5 40 GKBB CN(C)c1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408977919 ZIZFTIAQDLZLQI-UHFFFAOYSA-N 398.491 5.316 5 40 GKBB CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409208082 ARKCTZYCBJSIFK-ATVHPVEESA-N 386.429 5.081 5 40 GKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccc([N+](=O)[O-])c1 849437 IANQHVAZJUJJGL-UHFFFAOYSA-N 393.786 5.309 5 40 GKBB c1cc2cccc3c4ccc5c6cccc7cccc(c8ccc(c(c1)c23)c4c85)c76 64624846 BIGSSBUECAXJBO-UHFFFAOYSA-N 376.458 8.635 5 40 GKBB in-vitro CSc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6762938 SOESGKVFEPNHMM-UHFFFAOYSA-N 388.832 5.482 5 40 GKBB O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4868651 AXFGSCUUCFUEQK-UHFFFAOYSA-N 391.830 5.020 5 40 GKBB COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccccc2)cc1 13510257 XYMAGYCKTMIBCN-UHFFFAOYSA-N 389.458 6.107 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc3c4c(cccc14)CC3)N2 408995585 KCNCHNWLYCNVNS-KWKXUMAYSA-N 396.490 6.143 5 40 GKBB O=[N+]([O-])c1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1 408603961 CILLQHQXZROMIW-UHFFFAOYSA-N 384.435 5.939 5 40 GKBB Cc1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 2534522 CLJURESZNUPAPA-UHFFFAOYSA-N 379.437 5.411 5 40 GKBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc([N+](=O)[O-])c1 408626505 HQRWSMUEHSUGCT-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB CCCSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 2314698 FUUMFVVZCNTQQS-UHFFFAOYSA-N 397.573 5.392 5 40 GKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1OCc1ccc(Cl)cc1 3288980 WWJIJTWXVSBPHT-UHFFFAOYSA-N 397.814 5.184 5 40 GKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 4545551 NGGISFSTYUQVBW-UGSOOPFHSA-N 399.516 5.626 5 40 GKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344878 XGTHAYIBGQYGDD-OLZOCXBDSA-N 385.634 5.297 5 40 GKBB CCOc1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c23)cc1 2190915 NYWVMDQNMNJSAK-UHFFFAOYSA-N 376.459 6.516 5 40 GKBB CC(C)(C)c1cc(Nc2ccc(Cl)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1 4614851 GEUFKLPODNCRLW-UHFFFAOYSA-N 376.884 6.292 5 40 GKBB O=c1oc2ccc(Cc3ccccc3Cl)cc2cc1-c1ccc([N+](=O)[O-])cc1 15009177 PMEQTFUNKPGEND-UHFFFAOYSA-N 391.810 5.612 5 40 GKBB O=C(O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247341100 SCPPQCMJQPSDRV-IVDANQHDSA-N 398.846 5.243 5 40 GKBB CC(C)c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9504037 JGEAFRLMOWHHDJ-ZIAGYGMSSA-N 389.883 5.049 5 40 GKBB O=C(Nc1ccc(F)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409025184 NJRIIBZFMPGVNP-LDADJPATSA-N 396.805 5.567 5 40 GKBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccccc1-c1nc2ccccc2o1 4194689 RKASYNJDHGMVCT-PKNBQFBNSA-N 391.408 5.116 5 40 GKBB Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 2737175 YYQFIHGLRWBNGO-FQEVSTJZSA-N 378.453 5.375 5 40 GKBB COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc([N+](=O)[O-])cc3)c2c1 5550293 ONFACZBYJYEOFX-UHFFFAOYSA-N 396.855 6.109 5 40 GKBB O=[N+]([O-])c1ccccc1Sc1cccc(Sc2ccccc2[N+](=O)[O-])n1 13213414 HIPQXUQZXCERFH-UHFFFAOYSA-N 385.426 5.200 5 40 GKBB Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc([N+](=O)[O-])cc2s1 59417579 FLQLQUZDTZDZQE-UHFFFAOYSA-N 386.542 6.411 5 40 GKBB O=[N+]([O-])c1cc(-c2csc(-c3cccc(-n4cccc4)c3)n2)ccc1Cl 2555963 YWSKQTPHKLCQDH-UHFFFAOYSA-N 381.844 5.829 5 40 GKBB CCn1c2ccccc2c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc21 5390471 BRZZHGSWUIVSIU-UHFFFAOYSA-N 388.427 5.675 5 40 GKBB O=c1c2cc([N+](=O)[O-])ccc2sc2nc(-c3ccccc3)c(-c3ccccc3)n12 5532039 PTHUFDGXVOXFBS-UHFFFAOYSA-N 399.431 5.151 5 40 GKBB O=C(Oc1ccccc1)c1cc2ccccc2cc1Oc1ccc([N+](=O)[O-])cc1 5938970 XMECOFPGXSAPOW-UHFFFAOYSA-N 385.375 5.760 5 40 GKBB CCCCc1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 6342789 NLYDJVYHIPWVLU-PKNBQFBNSA-N 381.457 5.199 5 40 GKBB O=[N+]([O-])c1cccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)c1 31716503 HVTDXCCUTDYKSZ-DNQXCXABSA-N 382.419 5.518 5 40 GKBB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 222926885 LWVDYMFZZRGRLE-GOSISDBHSA-N 390.867 5.342 5 40 GKBB Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3451830 DODIJGTZEQELBV-UHFFFAOYSA-N 379.412 5.680 5 40 GKBB O=c1c2cccc3cccc(c32)c2nc3ccc4c5c(ccc(c35)n12)-c1ccccc1-4 4696708 XOXJFSLKNOZEKO-UHFFFAOYSA-N 394.433 6.393 5 40 GKBB CCCN(Cc1ccccc1)C(=S)Nc1cc2ncccc2c2cccnc12 408977378 VQQCSQJBMULJQD-UHFFFAOYSA-N 386.524 5.392 5 40 GKBB COc1ccccc1OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 8040412 AZXOVDBDDSTCGC-UHFFFAOYSA-N 399.786 5.268 5 40 GKBB CC1(C)Oc2ccc3c(c2O1)[C@H]1CCCC[C@@H]1O[C@@H]3c1ccc([N+](=O)[O-])cc1 12402500 AAANQPDAZZHISZ-RIFZZMRRSA-N 381.428 5.248 5 40 GKBB O=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 20457861 KNRBMSIEZMDQOU-YVJFHRMNSA-N 398.462 5.329 5 40 GKBB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409095873 DUFAREUOBVYBPP-ZDLGFXPLSA-N 398.827 5.594 5 40 GKBB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409114122 CMABVUACZMIZRD-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408618283 FQKNMGSPCFFMMK-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=[N+]([O-])C[C@@H](c1cccs1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 723783 AAPUGBCTZWAROO-INIZCTEOSA-N 382.872 5.958 5 40 GKBB O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1[N+](=O)[O-] 8185935 MNPCEKMEMRGLKZ-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB CC1CCN(C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1 408996143 LCOCYCXOVOIGHH-UHFFFAOYSA-N 376.485 5.262 5 40 GKBB CC1(C)CCCc2c(-c3ccccc3)cc3c4[nH]c5ccccc5c4cc[n+]3c21 1562976 TUWJHWXKSKRYMF-UHFFFAOYSA-O 377.511 6.341 5 40 GKBB O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 846078 ZMXBGLVHKKZCKF-UHFFFAOYSA-N 384.800 5.145 5 40 GKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1F 3192917 KBBPBIWHOVVJKB-OUKQBFOZSA-N 378.359 5.178 5 40 GKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1Cl 17081177 DIVIAPNWQSGWCG-CSKARUKUSA-N 396.830 5.777 5 40 GKBB O=[N+]([O-])c1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)ccc1Cl 5559516 SXIMHCFEDVFRCH-YRNVUSSQSA-N 376.799 6.227 5 40 GKBB COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(C)cc2)cc1 706970 CSJNBRRCFGCQSE-OAQYLSRUSA-N 386.451 5.561 5 40 GKBB O=[N+]([O-])c1ccc(C2=NNC(c3cccs3)=Nc3c2ccc2ccccc32)cc1 4129818 QTGXWXYHVXJGJY-UHFFFAOYSA-N 398.447 5.243 5 40 GKBB O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)c1 26423054 YQAYNQXTLJUBMG-UHFFFAOYSA-N 381.335 5.009 5 40 GKBB O=[N+]([O-])C[C@H](c1cccs1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 723784 AAPUGBCTZWAROO-MRXNPFEDSA-N 382.872 5.958 5 40 GKBB CCC1(CC)O[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 1089652 REWALISLSIOGMX-OAQYLSRUSA-N 377.444 5.542 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccccc1C 2349800 OTVNKTJEKFELIH-UHFFFAOYSA-N 383.451 5.134 5 40 GKBB Cc1nc(C)c([C@@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])s1 70039821 OHQXBKXTUDCFJW-SSDOTTSWSA-N 379.791 5.513 5 40 GKBB Cc1cc(C)c(C)c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 5506451 PSOFBQXOLRALDM-OAHLLOKOSA-N 383.473 5.732 5 40 GKBB O=[N+]([O-])c1ccc(SN2CCCC[C@@H]2CC2CCCCC2)c([N+](=O)[O-])c1 1585433 OWOSFBGBODHDIR-OAHLLOKOSA-N 379.482 5.335 5 40 GKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1ccccc1 8115115 RQQYRQINBJGDCR-LJQANCHMSA-N 398.871 5.098 5 40 GKBB Cc1c(Cl)cccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408621024 NITPAPBVJCNZOF-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(N(C)C)cc1 1777802 IPUZYGYTPFCYET-UHFFFAOYSA-N 385.467 5.374 5 40 GKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 4545547 PACITYLYJIACQT-SGTLLEGYSA-N 399.516 5.626 5 40 GKBB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 9866834 OEIUNUWYYFPUCA-CHWSQXEVSA-N 376.840 5.168 5 40 GKBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ccc(-c2ccccc2)o1 24991077 AJSFCCBCHBQPBD-UHFFFAOYSA-N 398.846 5.099 5 40 GKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 4545690 UTHKUZZXJNATCR-ACJLOTCBSA-N 399.516 5.626 5 40 GKBB CC(C)CC(=O)N1c2ccc([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C 4836851 PANKJNLGLQVTQK-UHFFFAOYSA-N 394.543 5.742 5 40 GKBB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 4854050 VFNOCZDRPAHBAQ-UPVQGACJSA-N 399.450 5.320 5 40 GKBB CCCN(Cc1ccccc1)C(=S)Nc1cc2cccnc2c2ncccc12 6026284 QCCOVPKGJKXJDO-UHFFFAOYSA-N 386.524 5.392 5 40 GKBB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C/c1onc(C)c1[N+](=O)[O-] 6779955 ANHRNGKBAXEJKN-HWKANZROSA-N 394.471 5.538 5 40 GKBB CCOc1cc(C=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8254197 FXIRIWAPPXFMRM-UHFFFAOYSA-N 389.713 5.271 5 40 GKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536345 TXTALWLOOINSDN-KRWDZBQOSA-N 396.487 5.613 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1CCc1ccccc1 13688448 HPGOIUFDDAZZMN-UHFFFAOYSA-N 380.831 5.286 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 104586758 SIZAFFGAILAMNS-DLAFLDKXSA-N 399.834 5.453 5 40 GKBB Cc1ccc2nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)cc2c1 915604 PBJNLSWJYKHUDQ-OAHLLOKOSA-N 395.484 5.188 5 40 GKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1Cl 2315279 ZTFWQEQSUDLAFK-UHFFFAOYSA-N 397.774 5.210 5 40 GKBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1cccc2ccccc12 3196973 UYKCHCFXBXEYMA-DHZHZOJOSA-N 384.338 5.001 5 40 GKBB O=c1cc(CSc2ncnc3ccsc23)c2c(ccc3ccccc32)o1 26955517 VIUCTXXOHXKESO-UHFFFAOYSA-N 376.462 5.243 5 40 GKBB O=[N+]([O-])c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 4844106 ZWRGDZVTLHIARY-OAQYLSRUSA-N 377.831 5.604 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1sc2cc(Cl)ccc2c1Cl 8377632 IYPZDMINHIOWRA-UHFFFAOYSA-N 385.203 5.508 5 40 GKBB COc1cc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])ccc1OCc1ccccc1 828110 VGVROVFLASDDPI-QHCPKHFHSA-N 389.407 5.026 5 40 GKBB CCCCSCCSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 6264514 RCHGWMXIXASJCG-UHFFFAOYSA-N 375.515 5.451 5 40 GKBB CC(C)(C)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 12527223 TWPYNTLSPFKKCZ-UHFFFAOYSA-N 384.479 5.091 5 40 GKBB COc1cc2c(cc1C[N+](C)(C)CSc1ccccc1)-c1ccccc1CC2 1590500 KTROTSMPTXMKRB-UHFFFAOYSA-N 390.572 5.787 5 40 GKBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(-c2ccc(C)cc2)n1 408584059 ZUDLWABMUKUOIJ-UHFFFAOYSA-N 379.441 5.022 5 40 GKBB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2/C=C/c2ccccc2[N+](=O)[O-])cc1 2631601 YYXVALLJPHOQRX-OWSFEGEDSA-N 385.423 5.015 5 40 GKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(C2CCCCC2)cc1 3314083 KUSGRZUQNSZBPU-NTEUORMPSA-N 393.439 5.082 5 40 GKBB CC(C)(C)c1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 27793979 QGBAMJGOQDPFIY-UHFFFAOYSA-N 389.455 5.134 5 40 GKBB Cc1nn2c3cc(Sc4ccc(Cl)cc4)ccc3nc2c2ccccc12 4740972 KVAVWBCTCGTJDJ-UHFFFAOYSA-N 375.884 6.149 5 40 GKBB CCCC(=O)Oc1cn([C@H](C)CC)c2nc(CCC)n3c4ccccc4nc3c12 13237767 SUABSPZLDWQTLQ-OAHLLOKOSA-N 392.503 5.466 5 40 GKBB O=C(O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 409336393 OBJGOGIRJQABGE-ZCUMGQRUSA-N 398.846 5.243 5 40 GKBB Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc12 4678169 NBSRHJVYWRZNOY-UHFFFAOYSA-N 394.434 5.582 5 40 GKBB CCCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1 32594416 MEZRZTJVIFXBFP-UHFFFAOYSA-N 397.478 5.583 5 40 GKBB CCc1cc([N+](=O)[O-])cc2nc(-c3cccc4c(Br)cccc34)oc12 73642674 FHBQOVXVYXSTFS-UHFFFAOYSA-N 397.228 5.881 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225267724 NDWVKUCRBRXNKA-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB Cc1ccc(Cl)cc1NCc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409122001 WJHNIEJRLNZQIE-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB COc1ccc([N+](=O)[O-])cc1NC(=O)N1c2ccccc2Sc2ccccc21 2408613 MADXKLXEIQKNHS-UHFFFAOYSA-N 393.424 5.438 5 40 GKBB CCC1(CC)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1 225117182 DAVNMMXGLKGJIU-KRWDZBQOSA-N 388.851 5.061 5 40 GKBB COc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409119088 PMQVKSLOOKIUNM-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB CC[N+](C)(CC)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1 1656000 ISLGIZSREBHMMW-UHFFFAOYSA-N 386.194 5.247 5 40 GKBB O=[N+]([O-])c1ccc(-c2[nH]nc(-c3ccccc3)c2-c2ccc3ccccc3n2)cc1 5266868 IYDKUGRDVMJCKI-UHFFFAOYSA-N 392.418 5.867 5 40 GKBB Cc1ccc(N(C)C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C 408974572 BMRJEXVPODRGOV-UHFFFAOYSA-N 380.451 5.158 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408995591 KCNCHNWLYCNVNS-ZYLGRSFDSA-N 396.490 6.143 5 40 GKBB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl 6240720 ZMVASJLLCDMULP-UHFFFAOYSA-N 379.121 5.173 5 40 GKBB Cc1c2occ(-c3ccc4ccccc4c3)c2cc2c1oc(=O)c1ccccc12 2125623 HENQBVRFUNYWRC-UHFFFAOYSA-N 376.411 6.821 5 40 GKBB biogenic COc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 4155258 LXEGMRBKYPXDQS-FQEVSTJZSA-N 394.452 5.076 5 40 GKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 408610004 QALLPACVQQEYSI-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB C[C@H](Sc1nc2ccccc2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6840812 XUUWEPWHONMSFI-JTQLQIEISA-N 384.442 5.108 5 40 GKBB Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 7686083 JIQUPPVWLOLEPO-FQEVSTJZSA-N 380.831 5.076 5 40 GKBB O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 651624 MBIRZQUAFPIBQO-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB COc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(OC)c1OC 1601409 HJKHUXIRAQHSMH-UHFFFAOYSA-N 384.435 5.562 5 40 GKBB CCCCC1CCC(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)CC1 4108212 CSLZNJKTELNKCF-UHFFFAOYSA-N 392.499 5.585 5 40 GKBB CC[C@H](Nc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-])c1ccccc1 8586927 XTBWOSGPOLIBMR-INIZCTEOSA-N 390.399 5.468 5 40 GKBB aggregator CCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225508028 FMYFVOVCZSTAJG-UHFFFAOYSA-N 382.460 5.061 5 40 GKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408575491 VEFTVPIKHWWMMQ-CSKARUKUSA-N 382.803 5.469 5 40 GKBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 2422523 MPVWUFCKULCKDL-AWEZNQCLSA-N 389.503 5.079 5 40 GKBB CC(C)c1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 6028033 ZBFKZATVFGIRBQ-UHFFFAOYSA-N 387.486 5.059 5 40 GKBB O=c1oc2ccc(Cl)cc2c2cc(-c3ccccc3)n3c4ccccc4nc3c12 24841224 XFTFDWHZKBIJLB-UHFFFAOYSA-N 396.833 6.068 5 40 GKBB CC(C)(C)c1noc(CSc2nc3ccccc3c3nc4ccccc4n23)n1 40051166 AVHAPPUMZHBLRV-UHFFFAOYSA-N 389.484 5.009 5 40 GKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1 225865743 BWDDZZFKMNNBSS-UHFFFAOYSA-N 397.475 5.009 5 40 GKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344880 XGTHAYIBGQYGDD-QWHCGFSZSA-N 385.634 5.297 5 40 GKBB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 831395 COXDFBQWPZBLSY-IBGZPJMESA-N 379.803 5.019 5 40 GKBB O=[N+]([O-])c1cccc(NC(=S)Nc2nc(-c3ccccc3Cl)cs2)c1 6643971 FEUTVQUHZSJUPC-UHFFFAOYSA-N 390.877 5.181 5 40 GKBB C[C@@]1(c2ccccc2)CCN2CC[C@](C)(c3ccccc3)c3cc([N+](=O)[O-])cc1c32 12402430 ARFDAFPFUOXGEM-WMPKNSHKSA-N 398.506 5.821 5 40 GKBB C[C@H](Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 40158460 IVEAJTTXRAEISW-HNNXBMFYSA-N 376.416 5.412 5 40 GKBB O=[N+]([O-])c1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 67321947 OERZWAHLYGPUMF-UHFFFAOYSA-N 376.235 5.224 5 40 GKBB O=[N+]([O-])c1ccc(/C(=C/c2ccc(Br)cc2)c2ccncc2)cc1 33676936 YIUTYJXHGPEIAA-UYRXBGFRSA-N 381.229 5.341 5 40 GKBB O=C(Nc1oc2cc3ccccc3cc2c(=O)c1-c1ccccc1)c1cccs1 5030937 QCGBUWSFNMHXJC-UHFFFAOYSA-N 397.455 5.927 5 40 GKBB COc1cc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)ccc1OC(C)C 96222601 NQWRGPLNFCGOFN-UHFFFAOYSA-N 389.411 5.026 5 40 GKBB biogenic O=[N+]([O-])C[C@@H](c1ccccc1OCc1cccc(F)c1)c1c[nH]c2ccccc12 408573584 TXFNOIQFOYFDIU-NRFANRHFSA-N 390.414 5.295 5 40 GKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2cc3cccnc3c3cccnc23)C1 408977333 VLKNUTCDFCPHGY-QMHKHESXSA-N 390.556 5.380 5 40 GKBB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 409117398 XSMFFDMILYIWBP-MOSHPQCFSA-N 388.423 5.398 5 40 GKBB FC(F)(F)c1cccc(NC(=S)Nc2cc3cccnc3c3ncccc23)c1 409330483 ARDOGYNSILLYKE-UHFFFAOYSA-N 398.413 5.611 5 40 GKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 1514027 XFNXFWJNBPHHBX-UHFFFAOYSA-N 389.436 5.432 5 40 GKBB COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cc1ccccc1 12746515 HIINALBULXNZQA-UHFFFAOYSA-N 396.830 5.100 5 40 GKBB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 30758491 WVKZJVRNLKQNKP-LJQANCHMSA-N 384.819 5.198 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 409336966 ROOQCCHLHAQHRL-ZKIYCNIBSA-N 389.282 6.198 5 40 GKBB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3cccc([N+](=O)[O-])c3)cc12 1302877 BCDCUYMYHDDOCU-UHFFFAOYSA-N 397.427 5.394 5 40 GKBB biogenic O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cccc(-c2nc3ccccc3o2)c1 4134685 IQQDGPPGHXEMJP-CSKARUKUSA-N 391.408 5.116 5 40 GKBB Cc1cc(-c2ccc(OCc3ccccc3F)cc2)nc2ccc3ccccc3c12 2192222 JZLHAXKFEHNRQM-UHFFFAOYSA-N 393.461 7.082 5 40 GKBB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 32579229 LWJOBDRSLHPYPD-UHFFFAOYSA-N 383.791 5.685 5 40 GKBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)c(Cl)c1 843809 BBAYUZLPSNNMAY-LJQANCHMSA-N 397.793 5.158 5 40 GKBB Cc1c(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cccc1[N+](=O)[O-] 4599805 ULIYSLADVCAEJB-UHFFFAOYSA-N 391.265 5.216 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 409333849 DPSQZFKBCIXMIK-KQNBPIEESA-N 389.282 6.198 5 40 GKBB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)nc2c1c(=O)oc1ccccc12 4108181 SUUCQDPYHOFBQX-UHFFFAOYSA-N 399.233 5.209 5 40 GKBB O=c1c2cc(Cl)ccc2oc2nc(-c3ccco3)n3c4ccccc4nc3c12 5208321 PQMSYPPZSSQHMA-UHFFFAOYSA-N 387.782 5.056 5 40 GKBB S=C(Nc1ccc2ccccc2c1)Nc1cc2cccnc2c2ncccc12 6045891 BVRUEKVDFQPWGQ-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccc(F)cc2)n1 856341 CZCRFTVLDKJIOT-UHFFFAOYSA-N 388.423 5.952 5 40 GKBB Cc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)ccc1[N+](=O)[O-] 408629191 OVFWANYPNWOHNB-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB COc1ccc(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 1650062 QKLJNZJRPPHLQV-UHFFFAOYSA-N 385.444 5.745 5 40 GKBB CCCCc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2125151 GDPQKGZDKUNOMC-UHFFFAOYSA-N 385.463 5.645 5 40 GKBB biogenic C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12 4831889 IIKAEZYRORGRLZ-UBVWURDFSA-N 384.435 5.221 5 40 GKBB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 72229500 WLFUNWGKVBOXSV-UHFFFAOYSA-N 397.258 5.217 5 40 GKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 223408271 QHBDUGAWVIZLLE-UHFFFAOYSA-N 392.436 5.366 5 40 GKBB O=c1cc(CSc2ccc3c(c2)OCCO3)c2c(ccc3ccccc32)o1 2652937 CTAYMLPXGKYWCR-UHFFFAOYSA-N 376.433 5.010 5 40 GKBB CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])cc1 8916130 KJVCFJUJDXNRCQ-UHFFFAOYSA-N 378.428 5.154 5 40 GKBB C[C@H](NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 32795006 YDVFPUDLTBIWAD-QWHCGFSZSA-N 395.381 5.077 5 40 GKBB CCc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408620110 KJEGHWURAOJIBP-UHFFFAOYSA-N 384.819 5.631 5 40 GKBB O=C(NCc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408925319 PBAZSIDXEVEZRH-KGENOOAVSA-N 392.842 5.105 5 40 GKBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)nc1 409269483 CEOGVPQARSBQMM-UHFFFAOYSA-N 386.436 5.265 5 40 GKBB Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2cccc(C)c2)cc1 16956144 QALFJXQQDSFPQI-UHFFFAOYSA-N 387.486 6.715 5 40 GKBB O=C(O)c1cc(-c2ccc3ccccc3n2)nc2cc3[nH]c4ccccc4c3cc12 20113225 GSHGZKQCVOGBNY-UHFFFAOYSA-N 389.414 5.783 5 40 GKBB biogenic COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc1 946557 KJEAZDXPDUASAN-NRFANRHFSA-N 386.451 5.263 5 40 GKBB O=C(Nc1ccnc2c1ccc1ccccc12)c1ccccc1Br 40384369 MXCHKCMBIPDNKV-UHFFFAOYSA-N 377.241 5.403 5 40 GKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 409095381 HSAAEYQHSLRZCP-ODLFYWEKSA-N 378.409 5.249 5 40 GKBB Cc1cc(C)c(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c(C)c1 8040537 IPVOBYSBTLFCHT-UHFFFAOYSA-N 392.480 5.924 5 40 GKBB Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 12533835 SBPFLVIVDGZPNA-CQSZACIVSA-N 387.867 5.045 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2cccc3ccccc23)o1 32647584 PKJSOJSQQLAWIX-UHFFFAOYSA-N 388.379 5.172 5 40 GKBB O=C(c1cc(Cl)ccc1F)N(CC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 58215139 YOCYHAIDCXIDEP-UHFFFAOYSA-N 383.206 5.098 5 40 GKBB O=C(Nc1ccccc1Sc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991708 QUULBKPEUWPMAU-UHFFFAOYSA-N 390.464 5.416 5 40 GKBB Cc1ccc(NC(=O)[C@@H](Sc2nc(C)cs2)c2ccccc2)c([N+](=O)[O-])c1 5101352 DPYWPXMTCAJUDS-KRWDZBQOSA-N 399.497 5.140 5 40 GKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 6595857 YOXVNLJXQWKQKO-FQEVSTJZSA-N 395.798 5.029 5 40 GKBB Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1 30848143 JSCYQAQHBQGSSN-FQEVSTJZSA-N 380.831 5.076 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699444 DELOXVMAPGRITF-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 8113566 KMGVXWURFWGENS-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB Cc1nc(CSc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cs1 12899646 YNYDVJKBIRWXFY-UHFFFAOYSA-N 399.497 5.213 5 40 GKBB O=[N+]([O-])c1cccc([C@H]2[C@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)c1 4899009 SYLCDKGPBDWDOE-WHFLEXSXSA-N 399.450 5.989 5 40 GKBB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1[N+](=O)[O-] 13954772 WHKGKFWESOBJOO-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 2716177 IGLNDCBOCCLXRD-UHFFFAOYSA-N 391.426 5.296 5 40 GKBB N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(Br)cc1 4771357 FOSCDXJIYRDLKT-UHFFFAOYSA-N 393.240 5.080 5 40 GKBB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ncccc1[N+](=O)[O-])c1ccccc1 65578335 QLWOXCXPAVKWHR-FQEVSTJZSA-N 389.436 5.187 5 40 GKBB S=C(Nc1ccc2nc3ccccc3nc2c1)Nc1cccc2ccccc12 6897028 SWIPVFWZLZFJQB-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB COc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(C(C)(C)C)ccc4o3)nc12 57352697 VYPWRCYUSXGBAS-UHFFFAOYSA-N 398.444 5.395 5 40 GKBB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 409336959 RNTXUYUYRDQYCG-HVCNVCAESA-N 384.479 6.189 5 40 GKBB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1cccc([N+](=O)[O-])c1 1861249 UQYGJULPOHMPLB-UHFFFAOYSA-N 398.418 5.475 5 40 GKBB Cc1ccc(C2=N[C@@H]3C=CC=C[C@H]3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4071794 HXIHDRLMICWHIA-FCEUIQTBSA-N 376.481 5.434 5 40 GKBB Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 12533836 SBPFLVIVDGZPNA-AWEZNQCLSA-N 387.867 5.045 5 40 GKBB C[C@@H](CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 223425432 HEKQWPILMUKJFU-RPNTZMPASA-N 386.451 5.055 5 40 GKBB O=C(Oc1ccc(-c2ccccc2)cc1Br)c1ccccc1[N+](=O)[O-] 1779884 QIZNFYKSXUCXQM-UHFFFAOYSA-N 398.212 5.244 5 40 GKBB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4014337 AAYXKSOKUSLMHP-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB CC(C)c1ccc(-c2csc(NC(=S)Nc3cccc([N+](=O)[O-])c3)n2)cc1 6514737 DOILEEBNLAQEAS-UHFFFAOYSA-N 398.513 5.651 5 40 GKBB CCc1ccc(-c2nc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3C)s2)cc1 12920113 DUKFQGSQWMORLO-UHFFFAOYSA-N 381.457 5.150 5 40 GKBB O=C(NCCC1=CCCCC1)c1ccc2sc3nc4ccccc4nc3c2c1 408975459 KPAHJYAKMASHPR-UHFFFAOYSA-N 387.508 5.618 5 40 GKBB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 828368 GJMWWFNRZSYREK-IIBYNOLFSA-N 387.439 5.187 5 40 GKBB c1cc2cc3c(cc2c2cc4c(cc12)C[N+]1(CCCCC1)C4)C[N+]1(CCCCC1)C3 1827683 OHUWPPGIBSYVSJ-UHFFFAOYSA-N 398.594 6.022 5 40 GKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)c1 3250820 ZDZZZDWAVNNFBY-UHFFFAOYSA-N 394.481 5.196 5 40 GKBB CCSc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 5241084 SNNGOSDGFVEBRK-UHFFFAOYSA-N 385.470 5.083 5 40 GKBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccc(Cl)c1Cl 23489980 IAZXRGMNAPKLEH-NSHDSACASA-N 399.299 5.041 5 40 GKBB Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1045087 OCVFYWNXMPQBJZ-NRFANRHFSA-N 378.453 5.283 5 40 GKBB CCCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2215132 SVMVYAWEWAODGX-UHFFFAOYSA-N 392.503 5.322 5 40 GKBB O=c1cc(CSc2nnc(-c3cccs3)o2)c2c(ccc3ccccc32)o1 3474836 OLHVHYUSSDQWGU-UHFFFAOYSA-N 392.461 5.350 5 40 GKBB S=C(Nc1cccc2ccccc12)Nc1cc2cccnc2c2cccnc12 408977570 WRNCHABYRKPYQY-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc2ccccc2c1 714696 GMKRWTCIOFFVOP-QHCPKHFHSA-N 395.418 5.519 5 40 GKBB O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1Cc1ccccc1 2744966 HHHMDDGNYKZGHM-FQEVSTJZSA-N 393.830 5.015 5 40 GKBB FC(F)(F)c1cccc(NC(=S)Nc2cc3cccnc3c3cccnc23)c1 6257514 YPAFPGRMWOAQBO-UHFFFAOYSA-N 398.413 5.611 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(NCc2ccccc2)s1 13896977 WEVUJOMFRGJNAS-UHFFFAOYSA-N 385.448 5.077 5 40 GKBB CC(C)Cn1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C(F)F)n1 95455355 DJSTXMBXRGWGMZ-UHFFFAOYSA-N 390.390 5.257 5 40 GKBB Cc1cccc(OCCCn2c3nc4ccccc4nc3c3cccc(C)c32)c1 2398544 VYWGGCICCTZGED-UHFFFAOYSA-N 381.479 5.824 5 40 GKBB COc1cc2c(cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)oc1ccccc12 2735926 UGCPOIORYMWYQW-MDZDMXLPSA-N 388.379 5.155 5 40 GKBB CCCCc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 6342778 MUVPLLCAEMOTLA-UHFFFAOYSA-N 389.864 5.453 5 40 GKBB COc1ccc(-c2nc3ccccc3s2)cc1OCc1ccc([N+](=O)[O-])cc1 8165712 JHJOIBDVWNMHRR-UHFFFAOYSA-N 392.436 5.459 5 40 GKBB CC1CCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 21595947 DVUFHWVTDGEVMG-UHFFFAOYSA-N 389.455 5.237 5 40 GKBB Cc1cc(C)c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C)cc2c1 4127987 KNGARYDMALHXJI-UHFFFAOYSA-N 395.484 5.107 5 40 GKBB CC(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9504034 JGEAFRLMOWHHDJ-KGLIPLIRSA-N 389.883 5.049 5 40 GKBB Cc1cc2c(cc1C)N[C@H](c1ccccc1[N+](=O)[O-])C1=C(O)CC(C)(C)CC1=N2 102507326 JYQKEQLTJNEXCM-JOCHJYFZSA-N 391.471 6.083 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 216571302 RYQFAIYEUNQLRO-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 247401882 NNPGXNNMHLKNCA-UANLFUNTSA-N 389.282 6.198 5 40 GKBB O=C(Nc1cccc(Br)c1)Nc1cc2cccnc2c2ncccc12 6480367 KBUDOVCZKTWBKL-UHFFFAOYSA-N 393.244 5.190 5 40 GKBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1cccc2ccccc12 28294384 ZERFHROYLDIZLN-UHFFFAOYSA-N 386.407 5.184 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100970325 SZMRJBUQXISWOA-PQJGELLGSA-N 376.456 5.072 5 40 GKBB O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(-c2nc3ccccc3s2)c1 409195547 WHTQHISSAVKQCS-UHFFFAOYSA-N 398.896 6.676 5 40 GKBB O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1 658482 IEWZULBPMDXTLX-UHFFFAOYSA-N 396.475 5.062 5 40 GKBB Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1045084 HBSFQQKLTZDQKW-OAQYLSRUSA-N 378.453 5.283 5 40 GKBB O=[N+]([O-])c1ccc(-c2ccc(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 2269612 VWNFUQNTFSCGBL-UHFFFAOYSA-N 390.351 5.614 5 40 GKBB biogenic CCCCN(CCCC)CCC[C@H](O)c1c2ccccc2nc2ccccc12 4365682 GZZVQSZPXMFPEJ-DEOSSOPVSA-N 378.560 6.104 5 40 GKBB C[C@@H](Sc1ccc2ccccc2n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 7920705 QNQNBNFAYASXIE-GFCCVEGCSA-N 378.413 5.046 5 40 GKBB C[C@@]1(c2ccccc2)CCN2CC[C@@](C)(c3ccccc3)c3c([N+](=O)[O-])ccc1c32 59475078 UTXMBGTUNZEMLI-UIOOFZCWSA-N 398.506 5.821 5 40 GKBB CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536217 KGFIJAUTYVXIGJ-UHFFFAOYSA-N 382.460 5.223 5 40 GKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)c1 408554851 DOHRMKMXXGVBJO-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1[N+](=O)[O-] 863028 QIRPVBJYLFIVEO-UHFFFAOYSA-N 381.240 5.677 5 40 GKBB O=C1N/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1c1ccc(Cl)cc1 1100041 XVPMTMVEAYTPIH-HYARGMPZSA-N 398.849 5.744 5 40 GKBB O=[N+]([O-])c1ccc2nc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)nc2c1 3114781 VXMKUKDAOJRXJE-UHFFFAOYSA-N 393.353 5.303 5 40 GKBB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c(-c4ccc([N+](=O)[O-])cc4)cn1c23 4608297 WOOQHZSUQVAJTG-SANMLTNESA-N 396.490 6.661 5 40 GKBB COc1cc(C2SCCS2)ccc1Oc1ccc([N+](=O)[O-])cc1Cl 8063702 RWRBTPSACUUXFZ-UHFFFAOYSA-N 383.878 5.528 5 40 GKBB CC(C)CNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 8391171 CVRLUFGSOVJURQ-UHFFFAOYSA-N 396.472 5.039 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccc(Cl)cc1Cl)N2 6276688 NNPGXNNMHLKNCA-LJIDWTEXSA-N 389.282 6.198 5 40 GKBB O=[N+]([O-])c1cccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)c1 31716498 HVTDXCCUTDYKSZ-BJKOFHAPSA-N 382.419 5.518 5 40 GKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1 408608036 MDTBHCVFFUCKOU-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409118659 QEWUIUHWMFONFS-UHFFFAOYSA-N 392.455 5.411 5 40 GKBB CC(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc1 4322753 SEQBUVKAGGDRLD-DEOSSOPVSA-N 385.467 6.074 5 40 GKBB CC[C@H](C)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 21595582 LZCBDDUYRPYPPH-NSHDSACASA-N 388.876 6.229 5 40 GKBB Cc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)cc1 72229102 KYOXSMZAFWRRBV-AWEZNQCLSA-N 387.867 5.188 5 40 GKBB Cc1c2ccccc2c(CSCC[C@H](N)C(=O)O)c2ccc3ccccc3c12 1844093 PZYDJZNTAVBABA-QFIPXVFZSA-N 389.520 5.490 5 40 GKBB Cc1ccc(C)c(-c2csc(-c3cc4c(ccc5ccccc54)oc3=O)n2)c1 4949753 FIAVMGUISYMKFJ-UHFFFAOYSA-N 383.472 6.354 5 40 GKBB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc2cccnc2c2ncccc12 6494293 FCFNJPVBJHIVOA-UHFFFAOYSA-N 382.345 5.446 5 40 GKBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl 32212161 AIQYILAQFWSRNO-UHFFFAOYSA-N 380.014 5.461 5 40 GKBB O=[N+]([O-])C[C@H](c1ccccc1OCc1ccc(F)cc1)c1c[nH]c2ccccc12 408574026 UKNJMSGXOLTOBQ-OAQYLSRUSA-N 390.414 5.295 5 40 GKBB O=C(Nc1ccccc1)Sc1nnc2c3ccccc3c3ccccc3c2n1 1573828 ZCXCBAINDWNBRD-UHFFFAOYSA-N 382.448 5.655 5 40 GKBB Cc1c(Cl)cccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 7947157 LABWQGXEOXKZBP-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 408619227 AFKMCBWADGITGZ-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB COC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1-n1cccc1 1446411 IRMAWXYCCJBUPR-UHFFFAOYSA-N 390.486 5.135 5 40 GKBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)n(O)c2ccccc12 1463197 DLOAPDDZZTZMMP-LJQANCHMSA-N 392.842 5.608 5 40 GKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(SCc2ccco2)cc1SCc1ccco1 4547279 SUMYYEDYCABYHI-UHFFFAOYSA-N 392.414 5.274 5 40 GKBB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1 8902964 PXXDZVANZZFAMF-UHFFFAOYSA-N 391.383 5.372 5 40 GKBB Cc1c(OCc2ccc(Br)cc2)ccc2c1oc(=O)c1ccccc12 945069 OLFGOCUYTSHFLS-UHFFFAOYSA-N 395.252 5.596 5 40 GKBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1C(F)(F)F 1741685 DTXGEXVSOFSVOG-UHFFFAOYSA-N 377.681 5.050 5 40 GKBB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 8040532 ACCUXAPRIFEHTJ-UHFFFAOYSA-N 398.422 5.074 5 40 GKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 409179958 QZSHMFCOYPBDOI-HXUWFJFHSA-N 395.798 5.029 5 40 GKBB O=C(c1ccc([N+](=O)[O-])cc1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 3230854 CPLNIWYSUGCUPM-UHFFFAOYSA-N 376.799 5.399 5 40 GKBB Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1[N+](=O)[O-] 8042051 YFFYZZZVCQXDPH-UHFFFAOYSA-N 379.441 5.042 5 40 GKBB O=C(Cc1ccc(Cl)cc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6526683 CIRFPEPASMMDEM-UHFFFAOYSA-N 397.814 5.326 5 40 GKBB O=[N+]([O-])c1ccc(Sc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408882221 LVTVIHSSHMUAOS-UHFFFAOYSA-N 398.227 5.015 5 40 GKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)ccc1[N+](=O)[O-] 677017 ACJJLVAHAZIGQM-UHFFFAOYSA-N 391.358 5.103 5 40 GKBB CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 1837416 GDFISLPPZKTKPE-IBGZPJMESA-N 392.392 5.749 5 40 GKBB Cc1cccc(C(C)C)c1N1COc2ccc3c(oc(=O)c4ccccc43)c2C1 2117078 MFOLIUMGXOSWBF-UHFFFAOYSA-N 385.463 5.735 5 40 GKBB biogenic Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 3094519 DQWYTNHABWUBJY-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB CCCCc1nc2oc3cc4ccccc4cc3c(=O)c2c2nc3ccccc3n12 5208770 JTFHGDGHXHOVBM-UHFFFAOYSA-N 393.446 5.638 5 40 GKBB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1cccc([N+](=O)[O-])c1 1448893 CDZJZVDYUILCKW-JOCHJYFZSA-N 384.391 5.089 5 40 GKBB aggregator Cc1cc(NC(=O)c2ccc3ccccc3c2)nc2c1c(=O)oc1ccccc12 4108200 GVKRHVHMBFSIER-UHFFFAOYSA-N 380.403 5.055 5 40 GKBB Cc1ccc(NC[C@H]2CCCN3CCCC[C@H]23)c2c(=O)c3ccccc3sc12 5390478 APONJQVTYXVQAO-YLJYHZDGSA-N 392.568 5.400 5 40 GKBB CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408571136 NTAWANRKHPTJEA-AWEZNQCLSA-N 379.243 5.282 5 40 GKBB C[N+](C)(Cc1sc(Cl)c(Cl)c1Cl)Cc1cccc2ccccc12 2305548 TZPJNPHOBHZLIE-UHFFFAOYSA-N 385.767 6.638 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCC(=O)c1ccccc1 9423878 ZJHISPOGJZSGGR-UHFFFAOYSA-N 381.435 5.019 5 40 GKBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)c1 726835 OMCPDUHCJQDJGX-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB CCCCCCn1c2ccc(Br)cc2c2nc3ccccc3nc21 2668007 RZMZVSWPUYVVBT-UHFFFAOYSA-N 382.305 6.081 5 40 GKBB C[C@@H](Sc1nc2ccccc2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6840817 XUUWEPWHONMSFI-SNVBAGLBSA-N 384.442 5.108 5 40 GKBB O=C(OCc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc(F)cc1)c1cccs1 7782633 OSJGFLBJWQEKKQ-LDADJPATSA-N 383.400 5.079 5 40 GKBB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc21 20496716 NAFMRVPQISWWHF-NTEUORMPSA-N 385.423 5.375 5 40 GKBB O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc2ccccc2c1 1022411 XICPQHARMYVWJC-UHFFFAOYSA-N 393.402 5.114 5 40 GKBB CC[C@@H](C)c1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2114699 GGPWXYKVQAMTHK-MRXNPFEDSA-N 385.463 5.816 5 40 GKBB biogenic O=C(Nc1ccccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6884624 WVPCDSHHXTUMFP-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=[N+]([O-])c1ccc(Oc2ccc(CSc3nc4ccccc4s3)cc2)cc1 1864277 BEEVWCKDQSFJNN-UHFFFAOYSA-N 394.477 6.289 5 40 GKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2c(c1)-c1ccccc1C2 1717011 XTPFNUMVJGNERO-UHFFFAOYSA-N 387.438 5.075 5 40 GKBB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 9866842 OEIUNUWYYFPUCA-QWHCGFSZSA-N 376.840 5.168 5 40 GKBB O=C(Nc1ccccc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408923639 YVQJSRVQAUPUAG-NBVRZTHBSA-N 378.815 5.428 5 40 GKBB Brc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1 1692186 RQHBWXFKDLJVFJ-UHFFFAOYSA-N 383.288 7.576 5 40 GKBB CC(C)N(C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1)C(C)C 6245560 NLPJWMVBDCWIKU-UHFFFAOYSA-N 394.569 5.813 5 40 GKBB CC(C)c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9504036 JGEAFRLMOWHHDJ-KBPBESRZSA-N 389.883 5.049 5 40 GKBB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 222926954 LWVDYMFZZRGRLE-SFHVURJKSA-N 390.867 5.342 5 40 GKBB Cc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1Cl 409113882 JHNYJAVVYQTTAQ-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB Cc1cccc2c3nc4ccccc4nc3n(CCCOCc3ccccc3)c12 2236205 YGTPJFSYMYLFCW-UHFFFAOYSA-N 381.479 5.653 5 40 GKBB O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1Cc1ccccc1 206900221 UJVXKKZSIHVPNV-HZHRSRAPSA-N 395.483 6.230 5 40 GKBB Cc1ccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2063586 YMJBGGZHHPVAPQ-UHFFFAOYSA-N 384.460 6.122 5 40 GKBB CCc1cc(=O)oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 2627882 RRASUSYYJJAIGV-UHFFFAOYSA-N 379.290 5.075 5 40 GKBB CCc1ccc(C(c2ccc(CC)o2)c2cc(OC)c(OC)cc2[N+](=O)[O-])o1 3846764 BPHXGTPNYKEGET-UHFFFAOYSA-N 385.416 5.103 5 40 GKBB biogenic CCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 9139475 ROJXDGATKWPPIK-UHFFFAOYSA-N 388.880 5.209 5 40 GKBB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 57312773 QREAHNFFEYSWKH-UHFFFAOYSA-N 390.867 5.342 5 40 GKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C 408922479 BGEJETMEULCNRB-UHFFFAOYSA-N 392.480 5.756 5 40 GKBB O=[N+]([O-])c1ccc(SN2CCCC[C@H]2CC2CCCCC2)c([N+](=O)[O-])c1 5551041 OWOSFBGBODHDIR-HNNXBMFYSA-N 379.482 5.335 5 40 GKBB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 6053766 JUGGXFSMZDJTGW-UHFFFAOYSA-N 396.830 5.910 5 40 GKBB CC[C@]1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCCCC3)CC[C@@H]21 12660342 RMPGUSXNDYXSIL-LFBFJMOVSA-N 382.568 5.108 5 40 GKBB biogenic Cc1ccc(C)c(-c2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)c1 811293 WMVSGYQPTSQKMW-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB Cc1c2c(C(N)=O)nccc2c(C)c2c1c1ccccc1n2Cc1ccccc1 1572502 VODKCENRSZZLTO-UHFFFAOYSA-N 379.463 5.107 5 40 GKBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])C1 32980009 XVHLEMCCBAHSCJ-MRXNPFEDSA-N 389.455 5.237 5 40 GKBB Cc1ccc(COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)cc1 408559237 YOZPRFAHHXKYBS-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB O=C(/C=C/c1ccccc1)OCc1cc([N+](=O)[O-])ccc1SC1CCCCC1 2569461 TZPOHCHMMBAIMI-SDNWHVSQSA-N 397.496 5.776 5 40 GKBB O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Oc1ccc(Cl)cc1 4860407 TZUGFRRNDRTXFR-UHFFFAOYSA-N 393.786 5.758 5 40 GKBB aggregator Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1Cl 408924720 LUQNNCFGZLTMCZ-DEDYPNTBSA-N 392.842 5.736 5 40 GKBB Cc1cccc2c3nc4ccccc4nc3n(Cc3nnc(-c4ccccc4)o3)c12 1893342 HLRDGSXPQRSITI-UHFFFAOYSA-N 391.434 5.144 5 40 GKBB Cc1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 7967301 IGZNHWCRZMFNSG-UHFFFAOYSA-N 391.811 5.072 5 40 GKBB Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 2737174 YYQFIHGLRWBNGO-HXUWFJFHSA-N 378.453 5.375 5 40 GKBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 4113821 YJJIXBKFIIGXBV-PWRODBHTSA-N 377.827 5.628 5 40 GKBB CCC1(CC)C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1 225329726 GNZAWBBPXOVMOS-INIZCTEOSA-N 388.851 5.061 5 40 GKBB O=C(O[C@]1(c2ccccc2)C[C@H]2C[C@@H]1c1ccccc12)c1ccc([N+](=O)[O-])cc1 1674647 PRIWSLOSTPBIKX-BSDZUQITSA-N 385.419 5.322 5 40 GKBB COc1cc2c(cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])oc1ccccc12 3567061 VCHLQMSGWCKELB-UHFFFAOYSA-N 396.786 5.409 5 40 GKBB Cc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc([N+](=O)[O-])c3)c12 4969942 MAXHVCJJLDFASO-UHFFFAOYSA-N 380.407 5.457 5 40 GKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 408557612 PKRXNOAXRMXJJH-UHFFFAOYSA-N 378.428 5.103 5 40 GKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 408613042 WSEZAPZVMKKODE-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB CCN(CC)[C@@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1676787 SKMUISXCBIYNJN-QKKBWIMNSA-N 386.333 5.519 5 40 GKBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2cc(C)ccc2c1Cl 4917574 QINLRFUDYHBWPT-UHFFFAOYSA-N 376.821 5.032 5 40 GKBB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)cc1 5033230 VWKQLBGFFISNMN-UHFFFAOYSA-N 386.791 5.078 5 40 GKBB O=[N+]([O-])c1ccc(Nc2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 5034252 FKCVXHKNGKVZKK-UHFFFAOYSA-N 375.815 6.207 5 40 GKBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc2nc3ccccc3nc12 5445525 BRPJZJDVRHZQAE-UHFFFAOYSA-N 391.430 5.828 5 40 GKBB Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])c3c[nH]c4ccccc34)cc2)cc1 408575468 WIKFEVBEVOKYLB-HSZRJFAPSA-N 386.451 5.464 5 40 GKBB CCc1ccccc1NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409117341 QXRNHBYRLRXENJ-UHFFFAOYSA-N 393.399 5.470 5 40 GKBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 44087807 LJEOUQIFMADGHY-UHFFFAOYSA-N 393.390 5.578 5 40 GKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1cccc(C(=O)O)c1 645434 VPJWINYCGQZPHK-UHFFFAOYSA-N 386.407 5.007 5 40 GKBB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 24636971 BSNOJMUFJBHFKM-MRXNPFEDSA-N 396.468 5.210 5 40 GKBB Cc1ccc([C@H]2C[C@H]2c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 13643595 VRNKRRHPRBRCPM-HZPDHXFCSA-N 385.496 5.084 5 40 GKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1Cc1ccccc1 43333993 FXNRVFMLJWGVJC-KRWDZBQOSA-N 389.455 5.411 5 40 GKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2cc3ncccc3c3cccnc23)C1 408975542 MSNPGPIGDWSJSG-NPMXOYFQSA-N 390.556 5.380 5 40 GKBB O=C1c2ccccc2C[C@@H]1Sc1ncnc2c1sc1nc3ccccc3cc12 1327866 QKFUZRLINJIBDZ-KRWDZBQOSA-N 399.500 5.292 5 40 GKBB Cc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 4155696 LELMAAFWCZVONZ-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB COc1cc(C)ccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O 5362749 KNACELLREDRXJZ-UHFFFAOYSA-N 396.446 5.749 5 40 GKBB COc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(C(C)C)ccc4o3)nc12 57352696 BKRBBNCCCPERCA-UHFFFAOYSA-N 384.417 5.221 5 40 GKBB COc1cc2c(cc1OC)[C@H](Cc1c3ccccc3cc3ccccc13)N(C)CC2 5812918 PTMPOMSDCIQQOY-VWLOTQADSA-N 397.518 5.782 5 40 GKBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1ccccc1 8115116 RQQYRQINBJGDCR-IBGZPJMESA-N 398.871 5.098 5 40 GKBB COC(=O)/C=C\C=C(C)/C=C\C=C(C)\C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)O 17316313 PETQSXXQDKKRJS-YUJKBJPMSA-N 394.511 5.810 5 40 GKBB c1ccc2c(-c3ccc(N4CCOCC4)cc3)c3ccc4ccccc4c3cc2c1 1759619 RURXLCYZLYJCHK-UHFFFAOYSA-N 389.498 6.650 5 40 GKBB CCCN(Cc1ccccc1)C(=S)Nc1cc2cccnc2c2cccnc12 408973277 AFVNESRODCSWON-UHFFFAOYSA-N 386.524 5.392 5 40 GKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 6595600 DMCWTWNOOYRUDW-HXUWFJFHSA-N 395.798 5.029 5 40 GKBB Cc1ccc(N(Cc2ccco2)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 24636979 BSNOJMUFJBHFKM-INIZCTEOSA-N 396.468 5.210 5 40 GKBB CC(C)(C[C@H]1O[C@@H]2CCCC[C@@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 217978830 DCAMMSCJGRCAJR-QLBJFCOMSA-N 382.612 6.260 5 40 GKBB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2)cc1 226068924 QYYODHWKRVHOOK-QHCPKHFHSA-N 398.611 5.417 5 40 GKBB CC(C)(C[C@@H]1O[C@H]2CCCC[C@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 247960300 DCAMMSCJGRCAJR-HVCNVCAESA-N 382.612 6.260 5 40 GKBB biogenic O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Cl)cc2)cc1 5763451 KJBWBWIDLPQSHR-UHFFFAOYSA-N 397.814 5.184 5 40 GKBB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 6629909 ACJFACWTPZFWNK-YRNVUSSQSA-N 387.867 5.055 5 40 GKBB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 8079342 OXMHUKQPLGHYEM-UHFFFAOYSA-N 396.443 5.195 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)cc1)N2 408997115 RGLJNDYRDJAPEM-BVSLBCMMSA-N 376.843 5.719 5 40 GKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2c1 725970 ZSRAZHSXSHKFNO-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 4545691 UTHKUZZXJNATCR-UGSOOPFHSA-N 399.516 5.626 5 40 GKBB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc12 1300323 QNKROOZWXYIIHO-UHFFFAOYSA-N 397.427 5.394 5 40 GKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(CSCc2ccccc2)cc1 1866397 LROLTYRLIXQAAG-UHFFFAOYSA-N 393.464 5.385 5 40 GKBB Clc1cccc(CSc2nc3ccccc3c3nc4ccccc4n23)c1 2959669 WSNUMPBGDORRRU-UHFFFAOYSA-N 375.884 5.981 5 40 GKBB C[C@]12CC[C@@H]3c4ccc(Cc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4946137 QABYAMHXIHGLLY-FVEXOFTDSA-N 389.495 5.611 5 40 GKBB Cc1noc(/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)c1[N+](=O)[O-] 408606981 RZQPEPGBVZJDGO-JXMROGBWSA-N 388.782 5.433 5 40 GKBB Cc1cccc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408623209 RPUUXHZDYQXSKU-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(-c2cnc3ccccc3n2)cc1 1297348 XCARLISUPDSGHV-UHFFFAOYSA-N 377.787 5.651 5 40 GKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc2c1Cc1ccccc1-2 1717009 SJWYOXYKQMQJOX-UHFFFAOYSA-N 387.438 5.075 5 40 GKBB COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1 2652596 BAZNEHIDFQYMFV-UHFFFAOYSA-N 394.452 5.315 5 40 GKBB Cc1c(-c2ccccc2)c(=O)oc2cc3oc(=O)c(-c4ccccc4)c(C)c3cc12 4350042 RZOSHCSCCMQKIM-UHFFFAOYSA-N 394.426 5.850 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(C(C)C)cc2)nc1-c1ccccc1 2312196 ZEDSAHZQHYAKCZ-UHFFFAOYSA-N 397.478 6.751 5 40 GKBB COc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)o2)c([N+](=O)[O-])c1 5034584 IEUYLZDDXHJZBN-UHFFFAOYSA-N 386.791 5.078 5 40 GKBB O=c1c2ccccc2oc2cc(OCc3cccc(C(F)(F)F)c3)cc(O)c12 5442780 LYNACMCPTPDZNZ-UHFFFAOYSA-N 386.325 5.250 5 40 GKBB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc([N+](=O)[O-])cc1Cl 7793012 QZRDGGJWCFTXLI-UHFFFAOYSA-N 399.859 5.113 5 40 GKBB Cc1ccc(CN2C(=O)N/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1 409221507 RFKHARPZCLLWKS-BUVRLJJBSA-N 392.458 5.394 5 40 GKBB O=[N+]([O-])c1ccc(Sc2c(Cl)cccc2Cl)c(Br)c1 4092167 RNSSOHBKYVXXFI-UHFFFAOYSA-N 379.062 5.815 5 40 GKBB CCCCN(CCCC)CC[C@@](C)(O)c1cc2ccccc2c2ccccc12 5551755 LLDWBNYZWKMENS-AREMUKBSSA-N 377.572 6.493 5 40 GKBB Cc1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cccc1[N+](=O)[O-] 408620258 LIRKPOPKKLULDO-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB CCCc1nc2c(sc3nc(COC)cc(C)c32)c2nc3ccccc3n12 969351 HBAPMKIMFIOIQD-UHFFFAOYSA-N 376.485 5.053 5 40 GKBB c1ccc2c(c1)ccc1cc3cc4cc5c(ccc6ccccc65)cc4cc3cc12 1580750 XSTMLGGLUNLJRY-UHFFFAOYSA-N 378.474 8.606 5 40 GKBB in-vitro O=C(O[C@@]1(c2ccccc2)C[C@H]2C[C@@H]1c1ccccc12)c1ccc([N+](=O)[O-])cc1 4945991 PRIWSLOSTPBIKX-CUHUQNRHSA-N 385.419 5.322 5 40 GKBB O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6886218 YGYCKPNNPOXGBM-UHFFFAOYSA-N 392.798 5.914 5 40 GKBB O=C(Nc1nc(-c2ccccc2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 4194495 VUOCOMHOHHKOMP-UHFFFAOYSA-N 381.438 5.185 5 40 GKBB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33719279 SEYGBUNUOHAECC-UHFFFAOYSA-N 384.391 5.359 5 40 GKBB Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(Cl)c1 32999432 LEPGPTYQQWYBAY-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409122319 XUYFDVPAZXQWFB-UHFFFAOYSA-N 378.428 5.103 5 40 GKBB Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C)cc1 947321 NHWGCCSBBXAQLD-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB Cc1ccc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 1510217 LCACEMWPCJSYNJ-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB Cc1cc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)ccc1[N+](=O)[O-] 6471966 QLKXESQSNKDCGW-UHFFFAOYSA-N 382.228 5.072 5 40 GKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 7093803 UJOGLTJIBAMSGP-UHFFFAOYSA-N 394.452 5.259 5 40 GKBB CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@H]1O[C@@H]3c1ccc([N+](=O)[O-])cc1 12402501 AAANQPDAZZHISZ-WRWLIDTKSA-N 381.428 5.248 5 40 GKBB COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cc1ccccc1 12780598 HNFSFZBKKNLHLD-UHFFFAOYSA-N 396.830 5.100 5 40 GKBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2ccccc12 1085748 MOBKHVXXUQWCFP-UHFFFAOYSA-N 380.450 5.333 5 40 GKBB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc12 408620716 JMBRDVXJMYDWAT-SOFGYWHQSA-N 387.848 5.127 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(Br)cc1)N2 408999814 SLSRTHDHWHHRAY-NFKIQKPMSA-N 399.288 5.654 5 40 GKBB CCc1ccccc1NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409116861 NELUMTRIQXJBJW-UHFFFAOYSA-N 393.399 5.470 5 40 GKBB Cc1cccc2c1ccc1c3occ(C)c3c3[nH]c(-c4ccc(O)cc4)nc3c21 1547205837 QSRXBSZMRHECBM-UHFFFAOYSA-N 378.431 6.605 5 40 GKBB biogenic O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc2ccccc12 2276676 BCFQFRHIHBTJSD-UHFFFAOYSA-N 383.407 6.059 5 40 GKBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc2sc3ccccc3c2s1 5573324 MHICSWJOJUZPGP-UHFFFAOYSA-N 388.857 5.930 5 40 GKBB COc1ccc(OC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408977776 YAOODHCARWJNKA-UHFFFAOYSA-N 386.432 5.226 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc3ccccc13)N2 408997771 SUHCWRDXYDFBEI-RNXOBYDBSA-N 392.458 6.219 5 40 GKBB Cc1cccc(CN2C(=O)N/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1 409239914 OICHXBBUSVXBID-BUVRLJJBSA-N 392.458 5.394 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(Nc2ccccc2F)s1 856294 APMXOJSPPKNNFV-UHFFFAOYSA-N 389.411 5.347 5 40 GKBB Clc1ccccc1OCCCn1c2ccccc2c2nc3ccccc3nc21 2668001 IRIHCDLMTMWEJN-UHFFFAOYSA-N 387.870 5.860 5 40 GKBB Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(C)cc23)cc1 4970036 BPYIFYMVSPYLMH-UHFFFAOYSA-N 394.434 5.766 5 40 GKBB CN(Cc1ccc(Cl)s1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 8428460 OVIWNRQXURYYHM-UHFFFAOYSA-N 386.860 5.177 5 40 GKBB C[C@H]1Cc2ccccc2N1C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 10449661 CHKNTCXKOSJTRN-JMMZKRSASA-N 384.435 5.113 5 40 GKBB O=C1N[C](Nc2ccccc2F)S/C1=C\c1c2ccccc2cc2ccccc12 408819200 YOFDXIOSRNQFBD-UHFFFAOYSA-N 399.470 5.895 5 40 GKBB CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 408828754 MDBATKVADUUDID-UHFFFAOYSA-N 381.457 5.232 5 40 GKBB Cc1cccc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)nc12 4832560 JBDBMXLRGKUYFE-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB COc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(OC)c1OC 677275 CYKKNOBCVOLELX-UHFFFAOYSA-N 384.435 5.562 5 40 GKBB O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6862020 IHBJKRITZIUDDF-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB Cc1cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)ccc1[N+](=O)[O-] 809155 ZOKBUQAOJZCQHM-UHFFFAOYSA-N 391.358 5.103 5 40 GKBB Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 4678491 JXNXJYPSCQMIDU-UHFFFAOYSA-N 394.434 5.582 5 40 GKBB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc([N+](=O)[O-])ccc1Cl 5615302 BMYZUOVLWJQDRY-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB Cc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc3ccc4ccccc4c23)cc1 9239115 BYISHSVZQYBNCM-UHFFFAOYSA-N 390.442 6.939 5 40 GKBB CCc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(O)cc3)C2)cc1 26570559 JZCSAQNWSHUJNG-QHCPKHFHSA-N 387.439 5.219 5 40 GKBB Cc1ccc(C2=N[C@H]3C=CC=C[C@@H]3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 1463329 HXIHDRLMICWHIA-BVSLBCMMSA-N 376.481 5.434 5 40 GKBB O=c1[nH]c2cc3ccccc3cc2nc1-c1ccccc1NCc1ccccc1 2066245 DRXGPYZZDHHCJA-UHFFFAOYSA-N 377.447 5.355 5 40 GKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(F)c(Cl)c1)C3 2120185 WORRDULUDWZCMP-UHFFFAOYSA-N 381.790 5.095 5 40 GKBB biogenic COc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c([N+](=O)[O-])c1 4917515 LUKVUOLHFMXTRL-UHFFFAOYSA-N 397.239 5.377 5 40 GKBB CCCCN(CCCC)C[C@@H](O)c1ccc2cc(Cl)c3ccccc3c2c1 5551880 IYEPNDPUTXPUMQ-XMMPIXPASA-N 383.963 6.582 5 40 GKBB O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(C2SCCCS2)c1 2570993 WDLBWUVBTUXKEH-UHFFFAOYSA-N 383.947 6.268 5 40 GKBB C[C@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)N(C)c1ccccc1 3393256 RHOCKQURMNTHBG-KRWDZBQOSA-N 383.447 5.201 5 40 GKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 7069273 LUSZASTUYUOAPH-HFBDAHEESA-N 394.402 5.227 5 40 GKBB O=[N+]([O-])c1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716528 FJNDYZVORTVWMR-DNQXCXABSA-N 382.419 5.518 5 40 GKBB COC(=O)/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)/C=C\C=C(C)\C=C/C(=O)O 77869897 RAFGELQLHMBRHD-NZJGCIGWSA-N 394.511 5.810 5 40 GKBB Cc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)c2ccc3ccccc3c2n1 40384391 OEVGAJXZIVQKAF-UHFFFAOYSA-N 376.481 5.114 5 40 GKBB Fc1cccc2sc3c(Cl)nc4cc5c(ccc6ccccc65)cc4c3c12 2125198 AKYZHNFIWMVJQD-UHFFFAOYSA-N 387.866 7.702 5 40 GKBB Cc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1[N+](=O)[O-] 6237059 ALQSFIRCXMEVEC-UHFFFAOYSA-N 390.483 5.623 5 40 GKBB CCN(C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(C)cc2)cs1 20178635 RUXJTFZVDZNDRP-UHFFFAOYSA-N 382.445 5.085 5 40 GKBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(F)cc1 22527494 IXQOHDSRPLWIER-PZBNQXIHSA-N 390.414 5.152 5 40 GKBB CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 38755697 BZADETXZRLKZKO-UCPLLFFYSA-N 386.451 5.403 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc(Br)c1)N2 408997103 RCYPTBYXWJQTJP-CQTZQYROSA-N 399.288 5.654 5 40 GKBB O=c1c2ccc3sc4ccccc4c4ccc(c2c34)c2nc3ccccc3n12 3470574 JJPFKJSNRLSDKT-UHFFFAOYSA-N 376.440 5.960 5 40 GKBB S=c1cc(S)c2c(=S)sc3nc4ccccn4c(=S)c3c2s1 6591106 QUXNUVMSYHHTTE-UHFFFAOYSA-N 394.618 6.241 5 40 GKBB Cc1cc(NC(=O)c2ccc(Br)o2)c2ccc3ccccc3c2n1 40384427 JRSWFANZHPEEBF-UHFFFAOYSA-N 381.229 5.304 5 40 GKBB Cc1cc(C)c(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c(C)c1 2119991 AYZUYYCNIYPQFY-UHFFFAOYSA-N 385.463 5.536 5 40 GKBB biogenic CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 1867103 JFIRJXUIOIRUGR-UHFFFAOYSA-N 395.209 5.355 5 40 GKBB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 4071994 RRBOLSXGRKDDEB-UHFFFAOYSA-N 381.457 5.268 5 40 GKBB Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-] 408620820 MKLRYXYPFAKULS-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 409174013 PPLILYJKDXCHKJ-UHFFFAOYSA-N 390.483 5.316 5 40 GKBB S=C(Nc1ccc2cc3ccccc3nc2c1)Nc1cccc2ccccc12 409189119 IUJLLEWTAZTBAM-UHFFFAOYSA-N 379.488 6.350 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1cccc(Cl)c1)CO2 2116822 DWNKYEMDZRSBHK-UHFFFAOYSA-N 377.827 5.265 5 40 GKBB biogenic CCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 2201148 KQOVVVFSQUZNQK-UHFFFAOYSA-N 387.870 5.838 5 40 GKBB O=[N+]([O-])c1ccc([C@@H]2CC2(Sc2ccccc2)Sc2ccccc2)cc1 3014276 BRGXMLQRVMRNHX-FQEVSTJZSA-N 379.506 6.363 5 40 GKBB O=C1OC(c2ccccc2Cl)=N/C1=C\c1c2ccccc2cc2ccccc12 13925070 LFURSLNDTNGUHS-HMAPJEAMSA-N 383.834 5.991 5 40 GKBB CC1CC[N+](C)(C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 41690068 YUQCMTZZHZALTK-XWGIXXMPSA-N 376.605 5.017 5 40 GKBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)ccc1Cl 408996856 BATGTWGZYGFWDW-UHFFFAOYSA-N 389.864 5.285 5 40 GKBB O=[N+]([O-])c1ccccc1SC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 102948842 BNGQYJOMYMFMEZ-VLGSPTGOSA-N 394.496 5.108 5 40 GKBB Cc1ccc(C2=N[C@H]3C=CC=C[C@H]3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4071796 HXIHDRLMICWHIA-NNWRFLSQSA-N 376.481 5.434 5 40 GKBB CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3ccccc3nc2c1 6138633 TXMADKXTJBOBKX-UHFFFAOYSA-N 386.524 5.392 5 40 GKBB S=C(Nc1ccc2ccccc2c1)Nc1cc2cccnc2c2cccnc12 408973485 BCVSVMQBEIBEGG-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB O=C1c2ccccc2-c2c1c(-c1ccccc1Cl)nc1ccc3ccccc3c21 2300367 IZQHYWHDGZHMGX-UHFFFAOYSA-N 391.857 6.920 5 40 GKBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N(c1ccccc1)c1ccccc1 5947283 VALTXIZCEKQUEJ-UHFFFAOYSA-N 384.391 5.833 5 40 GKBB CCCCN[C@H](c1ccc(C[N+]2(C)CCCC2)cc1)C(Cl)(Cl)Cl 31938750 ICRDTKFMRSTKPY-QGZVFWFLSA-N 378.795 5.228 5 40 GKBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1[N+](=O)[O-] 408627948 OQNJMYOQRAFNQU-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(C(C)=O)cc1 953639 AYZATCJAWITDBL-UHFFFAOYSA-N 384.435 5.511 5 40 GKBB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 1098180 AXTSOXSNSLPHHI-FQEVSTJZSA-N 390.870 6.205 5 40 GKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4014312 OFEOEZIVESIDKC-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 4358907 SNIIMIPLRSROQC-UHFFFAOYSA-N 393.830 5.628 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(CO)cc1Cl 409112589 FDRFUOVLVVQBIE-UHFFFAOYSA-N 382.121 5.205 5 40 GKBB Cc1ccccc1-c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2o1 726760 GQRXRVZMZJMEHN-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB CC(C)(C)c1ccc(OCCOC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 4603708 NKBOHQIDOWPHPW-UHFFFAOYSA-N 399.487 5.426 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1N=[P@](c1ccncc1)(N1CCCC1)C(C)(C)C 5571076 HQKZPHCQSYDNLQ-HHHXNRCGSA-N 386.436 5.266 5 40 GKBB Cc1cc(OCC(=O)c2ccc(Cl)cc2)cc2oc(=O)c3ccccc3c12 11866761 CHOUOSYGQUYDSD-UHFFFAOYSA-N 378.811 5.170 5 40 GKBB c1ccc2oc3nc4cc5nc6oc7ccccc7oc6nc5cc4nc3oc2c1 3843486 OCURXTQKMLEUHZ-UHFFFAOYSA-N 394.346 5.682 5 40 GKBB biogenic Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 4578173 HXRMELSXGSFKBL-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB CC1(C)Oc2ccc3c(c2O1)[C@H]1CCCC[C@H]1O[C@@H]3c1cccc([N+](=O)[O-])c1 12402506 TVXJXQLIRDPFDY-XAUMDUMWSA-N 381.428 5.248 5 40 GKBB Cc1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)c([N+](=O)[O-])cc1C 5417981 AFGPANQROIMYDJ-UHFFFAOYSA-N 378.812 5.471 5 40 GKBB Cc1ccccc1-n1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34 5509748 AHBPURPMASZFSL-UHFFFAOYSA-N 377.399 5.150 5 40 GKBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2)cc1 72229440 LNIUMOXFTRPOPL-UHFFFAOYSA-N 387.222 5.821 5 40 GKBB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 408620610 HSSQZLBQQKRXFP-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 787556 CMOOHRSXPUWGIQ-UHFFFAOYSA-N 380.014 5.461 5 40 GKBB O=c1c2ccccc2nc2c3ccccc3c(Sc3ccc(Cl)cc3)nn12 2083448 BYPXRHSPQQRWBL-UHFFFAOYSA-N 389.867 5.201 5 40 GKBB O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1cc(Cl)cc(Cl)c1O 4737174 WGVAKNZBJZKMQF-UHFFFAOYSA-N 396.013 5.166 5 40 GKBB Cc1cc(C)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(Cl)c1 7803535 CKXCLESLVYRLRQ-UHFFFAOYSA-N 387.867 5.108 5 40 GKBB O=C(CSc1ccsc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1 40116122 DSAFTKQARCHARR-UHFFFAOYSA-N 386.454 5.179 5 40 GKBB O=C(CSc1nc2ccccc2c2ccccc12)Nc1cccc(Cl)c1 12139466 RIKABZZPWAGIQQ-UHFFFAOYSA-N 378.884 5.772 5 40 GKBB Cc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 44849920 JUSMFNWAGYHMPD-HXUWFJFHSA-N 380.831 5.076 5 40 GKBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=S)Nc2cc3cccnc3c3ncccc23)C1 408975748 MLCICMPQAQEQQU-QMHKHESXSA-N 390.556 5.380 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1c(Cl)cccc1Cl)N2 409336965 ROOQCCHLHAQHRL-ZCUMGQRUSA-N 389.282 6.198 5 40 GKBB Cc1ccc(C(=O)c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1C 716333 YAIBUGQORRXFRZ-UHFFFAOYSA-N 388.423 5.003 5 40 GKBB CCSc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)s1 3546307 RADDZTXMPCJJON-UHFFFAOYSA-N 386.523 5.202 5 40 GKBB Cc1ccc2c(oc(=O)c3c(-c4ccncc4)nc4c5ccccc5oc4c32)c1C 11865276 BHZURVGMADLTSM-UHFFFAOYSA-N 392.414 5.919 5 40 GKBB biogenic O=C(Nc1cccc(Br)c1)Nc1cc2ccncc2c2ncccc12 408976594 RUJOTXNJGZQCJM-UHFFFAOYSA-N 393.244 5.190 5 40 GKBB Cc1ccc(NCCN2CCCCC2)c2c(=O)c3ccc(Cl)cc3sc12 4522688 GKAQBMQWCFOFJF-UHFFFAOYSA-N 386.948 5.274 5 40 GKBB O=C(Nc1ccc(Cl)c2ncsc12)c1cc2cc([N+](=O)[O-])ccc2s1 7598869 CHPGNDSKZPGDKU-UHFFFAOYSA-N 389.845 5.325 5 40 GKBB O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)n3nc(-c4ccccc4)cc3n2)cc1 61958047 YJVZKZMOEOFIOK-UHFFFAOYSA-N 392.418 5.639 5 40 GKBB CCCCc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 408621983 OGTDTRZLWTZKSG-UHFFFAOYSA-N 381.476 5.180 5 40 GKBB CC(C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 14808945 NGGGAMZZXFGJOQ-QFIPXVFZSA-N 398.506 5.058 5 40 GKBB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 248303979 LMAZZPFMLPSWFB-IMJYCFMASA-N 392.455 5.068 5 40 GKBB S=C(Nc1cccc2ccccc12)Nc1cc2ncccc2c2cccnc12 408975552 MXNNUJCKHUXEMG-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1Cl 222720004 BTVZWVOKJYCOTJ-UHFFFAOYSA-N 385.272 5.082 5 40 GKBB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225505933 LWMDBMKTDLJGFQ-UHFFFAOYSA-N 394.471 5.367 5 40 GKBB CN(C(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1)c1ccccc1 408997681 SIZJDNSKEYJYHS-UHFFFAOYSA-N 384.464 5.666 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 409119012 QVPGOUMEJXUEPW-ODLFYWEKSA-N 378.409 5.249 5 40 GKBB COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(ccc4ccccc43)n2)cc1 9239130 VBDQKBCDMKNGIW-UHFFFAOYSA-N 391.470 6.739 5 40 GKBB Cc1c(O)ccc2c1oc1c(C(C)C)c3c(O)nn(C4CCCCCC4)c3nc12 79495272 RZDGKRSFLLZAES-UHFFFAOYSA-N 393.487 6.069 5 40 GKBB Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(C)c2)cc1 3329382 OHZBXNCEHLFRMH-UHFFFAOYSA-N 381.815 5.751 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 409336963 ROOQCCHLHAQHRL-GMQMWVTBSA-N 389.282 6.198 5 40 GKBB Cn1c(-c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 7714939 DGAVAKIZYPIOHC-UHFFFAOYSA-N 395.422 5.001 5 40 GKBB O=C(OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1392286 RKLGYMAOLYIAGZ-UHFFFAOYSA-N 383.787 5.398 5 40 GKBB O=[N+]([O-])c1cccc([C@@H]2C[C@@H](c3ccccc3F)n3c(nc4ccccc43)N2)c1 2918746 RXNDBGJUJJPBNN-FPOVZHCZSA-N 388.402 5.230 5 40 GKBB Cc1ccc(Oc2ccc(COC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 3105640 JLNMBYCSHYIMSD-UHFFFAOYSA-N 397.814 5.706 5 40 GKBB Cc1ccc(S(=O)(=O)Nc2cc(C)nc3c2ccc2ccccc23)c(C)c1 40384488 OYIJYMJLYVZENM-UHFFFAOYSA-N 376.481 5.114 5 40 GKBB CCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 2404008 HLLFVCPTXOWYGQ-UHFFFAOYSA-N 381.479 5.883 5 40 GKBB O=[N+]([O-])c1ccc(N2C3=C(CCCC3)C(c3ccccc3)C3=C2CCCC3)cc1 4728600 HATNCIOUWURUHG-UHFFFAOYSA-N 386.495 6.855 5 40 GKBB O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)Nc3ccccc3)cc2)cc1 18173226 OLEPWSOHULYIRK-UHFFFAOYSA-N 381.482 5.555 5 40 GKBB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409099911 RLRFZYSSKGDMMM-ZDLGFXPLSA-N 398.827 5.594 5 40 GKBB O=C(c1ccccc1)[C@H](c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 3844553 BQGRLOVNVQYFMI-LJQANCHMSA-N 396.786 5.171 5 40 GKBB biogenic O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 10542807 JWXGNCINWVXMFC-UHFFFAOYSA-N 398.871 5.793 5 40 GKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408607264 KJFRVIKYZHTXAX-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccccc1OCc1ccc(F)cc1)c1c[nH]c2ccccc12 408574025 UKNJMSGXOLTOBQ-NRFANRHFSA-N 390.414 5.295 5 40 GKBB Cc1ccc(N(C)C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C 408994091 FPXKXBLTEPBEPU-UHFFFAOYSA-N 395.466 5.549 5 40 GKBB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc([N+](=O)[O-])o1 989615 DUQCKPSPGYGCTP-UHFFFAOYSA-N 399.362 5.402 5 40 GKBB COc1cc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)cc1Cl 1059094 CQDNNPZNWDNCBP-UHFFFAOYSA-N 391.836 5.133 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(F)c(Cl)c1)CO2 2125065 TUWJDKJOIUXQBP-UHFFFAOYSA-N 395.817 5.404 5 40 GKBB biogenic c1cc2ccc3cc4ccc5ccc6ccc7cc8ccc1c1c2c3c2c4c5c6c7c2c81 64622643 LSQODMMMSXHVCN-UHFFFAOYSA-N 398.464 9.254 5 40 GKBB in-vitro CC(C)c1oc([C@@H]2CCCN2c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 84622416 HUDHXJBQODTXKT-IBGZPJMESA-N 377.444 5.715 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(Nc2cccc(F)c2)s1 856295 JCWUVXMYNHLJIL-UHFFFAOYSA-N 389.411 5.347 5 40 GKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 4545549 PACITYLYJIACQT-KPZWWZAWSA-N 399.516 5.626 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccccc2F)cc1)c1c[nH]c2ccccc12 408570618 LPZRXWGPDFKVOU-NRFANRHFSA-N 390.414 5.295 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(Br)cc1)N2 408999816 SLSRTHDHWHHRAY-YDIRCUSSSA-N 399.288 5.654 5 40 GKBB CN(C(=O)Nc1cc2cccnc2c2cccnc12)c1ccc2ccccc2c1 408974998 IKLVAQRBGSHKJE-UHFFFAOYSA-N 378.435 5.605 5 40 GKBB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1Cl 1510120 CFTKJWSFAAQDPZ-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB Cc1ccccc1C(=O)Nc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1Cl 72229108 ZFMSOSXOIMAALO-AWEZNQCLSA-N 387.867 5.188 5 40 GKBB O=C(Nc1cccc(Cl)c1)OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 1392287 JUCCRTFJRAYSAZ-UHFFFAOYSA-N 398.802 5.789 5 40 GKBB O=c1c2ccccc2sc2nc(C3CCCCC3)n3c4ccccc4nc3c12 5208813 BWXBORGNAZSJPI-UHFFFAOYSA-N 385.492 5.658 5 40 GKBB CC(C)c1ccc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12527861 YFYKXZWHHTXQPL-SFHVURJKSA-N 398.506 5.156 5 40 GKBB C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408629203 POPYAWRWEQQKLU-MFMIUCCHSA-N 399.878 5.279 5 40 GKBB COc1ccc(C)cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408923925 IFWMEVXZLHFNBQ-HMMYKYKNSA-N 388.423 5.091 5 40 GKBB O=C(O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 409336395 OBJGOGIRJQABGE-ZKIYCNIBSA-N 398.846 5.243 5 40 GKBB O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 4844105 ZWRGDZVTLHIARY-NRFANRHFSA-N 377.831 5.604 5 40 GKBB CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C 5033188 AIBPLTNEIROPIG-UHFFFAOYSA-N 384.819 5.631 5 40 GKBB COc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(C(C)(C)C)ccc4o3)sc2c1 57352599 QCCZFYHFSPFXHI-UHFFFAOYSA-N 398.444 5.395 5 40 GKBB O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)NCc3ccccc3)cc2)cc1 408585045 BBJHWRDJQFNYLE-UHFFFAOYSA-N 395.509 5.233 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 408994969 KASUQSNGBBXBDF-GPQGAXSRSA-N 388.389 5.910 5 40 GKBB Cc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409120479 WFADRXVGYSMYKN-UHFFFAOYSA-N 379.372 5.216 5 40 GKBB Cc1cc(Cl)cc(Cl)c1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59474554 PQJXDLIQTYMHKM-UHFFFAOYSA-N 379.165 5.841 5 40 GKBB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 828370 GJMWWFNRZSYREK-IERDGZPVSA-N 387.439 5.187 5 40 GKBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccc(-c2ccccc2F)o1 12866494 VPJAWIILYLUBPW-OAHLLOKOSA-N 396.418 5.146 5 40 GKBB O=[N+]([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(C(F)(F)F)c1 1708966 WKLIHOSVOZNJHC-UHFFFAOYSA-N 386.540 6.366 5 40 GKBB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cccc([N+](=O)[O-])c1 673736 UARAJKAKJLELDU-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB C[N+](C)(C)C1(Cc2ccc(Br)cc2)c2ccccc2-c2ccccc21 1729977 OMNYBFCSSDETRM-UHFFFAOYSA-N 393.348 5.622 5 40 GKBB O=C(Nc1ccccc1Oc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 6344532 VLNUPJSTFOPOED-UHFFFAOYSA-N 390.420 5.854 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 408994970 KASUQSNGBBXBDF-QKQOXNHBSA-N 388.389 5.910 5 40 GKBB C[N+](C)(C)Cc1ccc2ccccc2c1CC(O)(c1ccccc1)c1ccccc1 1615639 BIWJJKLKUFCAFS-UHFFFAOYSA-N 396.554 5.525 5 40 GKBB Cc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1F 2123666 MDSURZDPMVRMJJ-UHFFFAOYSA-N 375.399 5.059 5 40 GKBB biogenic CC(C)(C)[P@](=Nc1cccc([N+](=O)[O-])c1)(c1ccccc1)N1CCCCC1 5496504 CJPASZOGGUONEI-MHZLTWQESA-N 385.448 5.952 5 40 GKBB Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1 6786996 PPUFMFLLNUGURP-BUHFOSPRSA-N 384.439 5.175 5 40 GKBB Cc1noc(/C=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c1[N+](=O)[O-] 408543964 RAYFHTGLVAIXJX-UKTHLTGXSA-N 386.407 5.794 5 40 GKBB CCCOc1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c23)cc1 2190916 HLDLNPLYBYXXOO-UHFFFAOYSA-N 390.486 6.906 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1cccc(C)c1 2357381 IEVNPYADGUZVOJ-UHFFFAOYSA-N 383.451 5.134 5 40 GKBB Cc1noc(/C=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1[N+](=O)[O-] 4709304 XTHQEZXYMGHFFB-ZHACJKMWSA-N 393.830 5.718 5 40 GKBB COc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 4969929 UDEAUISEZKPDQL-UHFFFAOYSA-N 396.406 5.158 5 40 GKBB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 17081185 JHHBRSCRAGTOJH-JXMROGBWSA-N 396.830 5.777 5 40 GKBB Cc1ccc(C)c(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 409116233 MBXMVDNHSZITEH-UHFFFAOYSA-N 396.874 6.056 5 40 GKBB COc1ccc(OC)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12 1670051 QCEOBAZRYYKEKG-UHFFFAOYSA-N 390.482 7.344 5 40 GKBB COc1ccccc1OCCCn1c2ccccc2c2nc3ccccc3nc21 3655997 YYBPCUHHKCCXCT-UHFFFAOYSA-N 383.451 5.215 5 40 GKBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ccccc12 33685112 XGNXCEJJNSYTLA-UHFFFAOYSA-N 399.402 5.897 5 40 GKBB O=C(O[C@@]1(c2ccccc2)C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 4945985 NKRYLCNOHSETBE-JTLUYSSBSA-N 377.440 5.103 5 40 GKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)c(Cl)c1 40883404 XALWXMDLXVBHFK-UHFFFAOYSA-N 394.239 5.277 5 40 GKBB C[N+](C)(CCCOc1ccccc1)CCOC(c1ccccc1)c1ccccc1 1664721 DBEAXLWZYSNSDX-UHFFFAOYSA-N 390.547 5.338 5 40 GKBB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 831494 QYVKYBPEPWXFMR-UHFFFAOYSA-N 396.830 5.241 5 40 GKBB CC1(C)c2ccccc2N(Cc2ccccc2)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 2274955 SVDIELCXLAOHIR-VWLOTQADSA-N 398.462 5.695 5 40 GKBB biogenic O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 1516072 IGILMAPTTZQDSH-UHFFFAOYSA-N 388.301 5.057 5 40 GKBB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 10542806 OUHFOLRRUDODOV-UHFFFAOYSA-N 398.871 5.793 5 40 GKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 409119268 SHRZWVVCJYRVFE-UHFFFAOYSA-N 396.874 6.056 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(C(C)(C)C)cc1)CO2 2123870 MFLGVFYGLWYFQL-UHFFFAOYSA-N 399.490 5.909 5 40 GKBB biogenic Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1Cl 17081182 JQAQGYUMHZMCSL-PKNBQFBNSA-N 396.830 5.777 5 40 GKBB Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C)cc1 947325 NCDLSABRNXXOJP-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB Cc1ccc(-n2c(NCc3ccc(C)c([N+](=O)[O-])c3)nc3cc(C)ccc32)cc1 1614994441 SQAUOZWPXSSGKK-UHFFFAOYSA-N 386.455 5.471 5 40 GKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 4551054 UCGOAWUYMSMQRO-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409110346 UWASRJDLAXWAQF-UHFFFAOYSA-N 392.455 5.493 5 40 GKBB CCN(CC)CCCNc1nc2ccccc2c2[nH]c3ccc(OC)cc3c12 1639179 HGILUFKJFSZULZ-UHFFFAOYSA-N 376.504 5.022 5 40 GKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)c1 4969904 ARGFEEHDXQCGLS-UHFFFAOYSA-N 384.370 5.288 5 40 GKBB Cn1c(-c2c(-c3ccccc3)n[nH]c2-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 6507888 FOCSENHYJNMIOO-UHFFFAOYSA-N 395.422 5.206 5 40 GKBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2Cl)c1 216571859 CRXSKUPGCCOXOV-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl 225508651 DCJCDERVJTVROR-UHFFFAOYSA-N 388.851 5.097 5 40 GKBB Cc1ccc2ccccc2c1COc1cc(O)c2c(=O)c3ccccc3oc2c1 5399733 UJLMZXUQXFJSLG-UHFFFAOYSA-N 382.415 5.692 5 40 GKBB biogenic CCCN(Cc1ccccc1)C(=S)Nc1cc2ccncc2c2ncccc12 408974233 DNGCNOOOZKECTJ-UHFFFAOYSA-N 386.524 5.392 5 40 GKBB Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 409112246 KXGKQJHURQAXMW-UHFFFAOYSA-N 396.874 6.056 5 40 GKBB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)c1 3108518 FTASQJGDCMQHIY-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1c2ccccc2cc2ccccc12 3295948 JZZHDSZGOUTIFF-UHFFFAOYSA-N 393.442 5.822 5 40 GKBB CCc1ccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229143 SCLDYQLBOVCDSD-UHFFFAOYSA-N 387.867 5.053 5 40 GKBB Cc1cc2c(cc1C)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(O)CC(C)(C)CC1=N2 102649240 ULNHFYQGTZCOJL-JOCHJYFZSA-N 391.471 6.083 5 40 GKBB CC1(C)CCC2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1ccc([N+](=O)[O-])cc1 104155296 SEZYNTUGGDUUHM-HXUWFJFHSA-N 383.879 6.291 5 40 GKBB O=C(O)Cc1c(-c2cccs2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 6787862 ZRWDWADWGLNMAK-UHFFFAOYSA-N 390.420 5.166 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Br)cc1)N2 408999807 SLSRTHDHWHHRAY-ASTIPKKCSA-N 399.288 5.654 5 40 GKBB CC(C)[C@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 5376285 NXISPJHWCYXZSO-CDNPAEQRSA-N 394.515 5.698 5 40 GKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)NC1CCCCCCC1 6476624 PACBKFWXETZWQR-UHFFFAOYSA-N 389.495 5.379 5 40 GKBB Cc1c(Cl)cccc1-c1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)o1 7277579 PVCCBQPZSFLHSE-UHFFFAOYSA-N 385.851 5.018 5 40 GKBB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 14601672 AHNNOCNFPODBCO-UHFFFAOYSA-N 379.121 5.173 5 40 GKBB Cc1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1CC(F)(F)F 71971764 LIPUYJDZTWTBFT-UHFFFAOYSA-N 381.379 5.366 5 40 GKBB CCOc1cc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)nn1-c1ccccc1 72434015 OJINVZZRZFRWBX-UHFFFAOYSA-N 378.215 5.153 5 40 GKBB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl 408621382 NYBKODUTHUYPIE-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB C[C@H](CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 223425488 HEKQWPILMUKJFU-OZHVRZOASA-N 386.451 5.055 5 40 GKBB FC(F)(F)c1cccc(NC(=S)Nc2cc3ccncc3c3ncccc23)c1 408975818 NWVBIGADHCOJDP-UHFFFAOYSA-N 398.413 5.611 5 40 GKBB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2c1 859890 GTYSECXDZXJTRW-UHFFFAOYSA-N 397.434 5.679 5 40 GKBB O=C(c1ccccc1)c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 5946569 UNVTUGKPZWKVNX-UHFFFAOYSA-N 376.393 5.118 5 40 GKBB CC(C)(C)c1ccc(OC[C@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1 226070730 BLRWYJVQOCQVTJ-JOCHJYFZSA-N 398.611 5.298 5 40 GKBB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 825783 FIOWJTDDHQFNPO-JOCHJYFZSA-N 386.451 5.156 5 40 GKBB CCCCSCCSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 6204050 DHBMOACLIVPCII-UHFFFAOYSA-N 384.401 5.147 5 40 GKBB CC(=O)Oc1cn(-c2ccc(C(C)C)cc2)c2nc(C)n3c4ccccc4nc3c12 101180307 MRNSTEJICFIQCG-UHFFFAOYSA-N 398.466 5.184 5 40 GKBB CCOC(=O)Nc1c2ccccc2c(NC(=O)OCC)c2cc(Cl)ccc12 1600635 QSGVFBGIAGOGFT-UHFFFAOYSA-N 386.835 5.783 5 40 GKBB C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 4719695 MCCDZVFPRDLZRM-HRAATJIYSA-N 387.439 5.187 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 100377721 NNPGXNNMHLKNCA-DLAFLDKXSA-N 389.282 6.198 5 40 GKBB Brc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)s1 3348963 UMXWJJZVDDIJKZ-UHFFFAOYSA-N 379.282 6.360 5 40 GKBB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc2c1c(=O)oc1ccccc12 4108209 BMZCMJUEQYTYEH-UHFFFAOYSA-N 386.451 5.199 5 40 GKBB CC(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C2CC2)c([N+](=O)[O-])c1 23620305 XORNUPRBWGRVLU-UHFFFAOYSA-N 379.441 5.147 5 40 GKBB CC(C)(C[C@@H]1O[C@@H]2CCCC[C@@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 217978737 DCAMMSCJGRCAJR-GPXOXTDOSA-N 382.612 6.260 5 40 GKBB biogenic Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2/C=C/c2ccccc2[N+](=O)[O-])cc1 2631599 YYXVALLJPHOQRX-GLBTYYSXSA-N 385.423 5.015 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 6971558 RJLOSFFKXJVWDL-JEBQAFNWSA-N 379.243 5.536 5 40 GKBB O=C(O[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]1c1ccccc12)c1ccc([N+](=O)[O-])cc1 104077712 PRIWSLOSTPBIKX-VXWZWFMZSA-N 385.419 5.322 5 40 GKBB c1ccc(-n2c3cc4[nH]c5ccccc5c4cc3c3c4ccccc4ccc32)cc1 1542033355 HTWMXCZFSCJBEX-UHFFFAOYSA-N 382.466 7.571 5 40 GKBB COc1c(-c2ccccc2)c(=O)c2ccc3c4ccccc4oc4ccc1c2c43 5003743 PFGQZNOSVXTBFR-UHFFFAOYSA-N 376.411 6.366 5 40 GKBB COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(C)cc2)cc1 706971 CSJNBRRCFGCQSE-NRFANRHFSA-N 386.451 5.561 5 40 GKBB CCC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 864918 SOLFDLCGOPQKFA-UHFFFAOYSA-N 389.407 5.519 5 40 GKBB CCCCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 1853488 RIHAUHPMXMADSG-UHFFFAOYSA-N 375.432 5.135 5 40 GKBB COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1c(C)[nH]c2ccccc12 6714278 DLWAYTQMVLGBEA-HSZRJFAPSA-N 387.439 5.595 5 40 GKBB CCc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409135028 QUETVYQZARLTRP-UHFFFAOYSA-N 396.874 6.002 5 40 GKBB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c(-c4ccc([N+](=O)[O-])cc4)cn1c23 4608299 WOOQHZSUQVAJTG-AREMUKBSSA-N 396.490 6.661 5 40 GKBB Cc1ccc(NC(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 38199695 XKAUWIBPTUOHHX-UHFFFAOYSA-N 383.480 5.382 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1OCc1ccccc1 408588503 WQECXGOSLAJNJK-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB Cc1ccc(CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc23)cc1 4886066 LXOBAKIJPLWNMN-UHFFFAOYSA-N 394.481 5.262 5 40 GKBB Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] 5536625 SADOKUMEJXXHMR-UHFFFAOYSA-N 394.814 5.040 5 40 GKBB O=[N+]([O-])c1cccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 5902291 PWJFPUINKVIMLF-UHFFFAOYSA-N 388.448 6.209 5 40 GKBB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc21 6248922 XBKGAOUMPPULLR-JLHYYAGUSA-N 385.423 5.375 5 40 GKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4c(F)cccc4c32)c1 8024058 QYKURNRXTVEQNS-UHFFFAOYSA-N 384.370 5.288 5 40 GKBB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 9355993 DIVIEQLLNSTHEN-UHFFFAOYSA-N 398.871 5.793 5 40 GKBB COc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409113310 AHMOVZQCAGOGAF-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccccc1Cl 5033238 BMMLBHDMSBWLHZ-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1[N+](=O)[O-] 6052621 LFCBZOZIYYENNJ-UHFFFAOYSA-N 395.465 5.494 5 40 GKBB CCCCCN(CCCCC)C[C@H](O)c1cc2ccccc2c2ccccc12 1683592 RQQOYOBCRRAEJH-SANMLTNESA-N 377.572 6.709 5 40 GKBB Cc1ccc2sc3ccc(NC(=O)c4ccccc4Cl)cc3c(=O)c2c1 4014232 GSMNZUUOWHOTGB-UHFFFAOYSA-N 379.868 5.629 5 40 GKBB CCCOc1ccccc1Cn1c2nc3ccccc3nc2c2cccc(C)c21 5017150 NMTQMYPHBBGCNI-UHFFFAOYSA-N 381.479 5.883 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OC(C)C 5516028 OATRMXQHXZLTDX-UHFFFAOYSA-N 397.478 5.582 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1cccc(Cl)c1Cl 23374992 LTCVYNACVZWVIR-UHFFFAOYSA-N 398.249 5.967 5 40 GKBB CCOC(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 226302703 OTLOTLCAKXVIPH-UHFFFAOYSA-N 395.455 5.499 5 40 GKBB O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 409209199 HQMRUFNZMMISGI-VGOFMYFVSA-N 395.223 5.143 5 40 GKBB C[C@H](Sc1ccc2ccccc2n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 7920702 QNQNBNFAYASXIE-LBPRGKRZSA-N 378.413 5.046 5 40 GKBB CCCC[C@@H](CC)Cn1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 5478471 XFIWSGJKTJFNBS-QGZVFWFLSA-N 392.503 5.287 5 40 GKBB Cc1nc(-c2cccc(Oc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])c2)no1 71953005 SRKPNJPNXKNJGS-UHFFFAOYSA-N 399.712 5.418 5 40 GKBB Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 2655985 HRPDMZPDTPCZLJ-UHFFFAOYSA-N 382.803 5.601 5 40 GKBB O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Oc1ccc(F)cc1 4311753 IWFRLSBRIJZUBK-UHFFFAOYSA-N 377.331 5.243 5 40 GKBB CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 8071972 OSRNHWBTBSLOOJ-QJPKHSJYSA-N 390.439 6.020 5 40 GKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 828033 NRNQURZCVDLLLV-UHFFFAOYSA-N 386.411 5.007 5 40 GKBB O=[N+]([O-])c1cccc(NCc2cn(Cc3cccc(Cl)c3)c3ccccc23)c1 408558820 WFFHYNVBNDWMEV-UHFFFAOYSA-N 391.858 5.863 5 40 GKBB O=c1c2ccccc2c2nccc3c4cc(OCc5cccc(F)c5)ccc4n1c32 6624514 VRAAYSGLLWGWKH-UHFFFAOYSA-N 394.405 5.310 5 40 GKBB biogenic CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@H]1O[C@@H]3c1cccc([N+](=O)[O-])c1 12402505 TVXJXQLIRDPFDY-WRWLIDTKSA-N 381.428 5.248 5 40 GKBB CC[C@@H](C)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 21595581 LZCBDDUYRPYPPH-LLVKDONJSA-N 388.876 6.229 5 40 GKBB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 72229510 FJANWTBNIZSKIB-UHFFFAOYSA-N 397.258 5.351 5 40 GKBB O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1c2ccccc2cc2ccccc12 4548631 AYFABOQSQRDIKQ-STZFKDTASA-N 394.386 5.246 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 8040517 UMEILEVFHHELIO-UHFFFAOYSA-N 381.794 5.452 5 40 GKBB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc([N+](=O)[O-])c1 17080059 KCIGLQQOACELCH-UHFFFAOYSA-N 392.194 5.519 5 40 GKBB Cc1cc([C@]2(C)Cc3c(cc(C)c([N+](=O)[O-])c3C)C2(C)C)cc(C)c1[N+](=O)[O-] 2187277 HGLAXHLPKCGCIB-QFIPXVFZSA-N 382.460 5.528 5 40 GKBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 4113820 YJJIXBKFIIGXBV-HBMCJLEFSA-N 377.827 5.628 5 40 GKBB C[N+]1(CCCCCCCCCC[N+]2(C)CCCCCCC2)CCCCCCC1 4747963 IRODSZKQIHKDDR-UHFFFAOYSA-N 394.732 6.929 5 40 GKBB CC1(C)Oc2ccc3c(c2O1)[C@H]1CCCC[C@H]1O[C@@H]3c1ccc([N+](=O)[O-])cc1 12402502 AAANQPDAZZHISZ-XAUMDUMWSA-N 381.428 5.248 5 40 GKBB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc2ccncc2c2ncccc12 408975577 NJBPAFZGLWYXSV-UHFFFAOYSA-N 382.345 5.446 5 40 GKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 678125 QSQCYSWNMRLWIZ-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc12 4086509 CHJFRJUWKRNQIK-IBGZPJMESA-N 376.843 5.897 5 40 GKBB O=[N+]([O-])c1ccc([C@@H]2N(c3ccc(Br)cc3)C2(Cl)Cl)cc1 4455898 HSXCHUFKXIJYEP-FVRDMJKUSA-N 388.048 5.050 5 40 GKBB O=[N+]([O-])c1ccc(N2CCCCC2)cc1NC(c1ccccc1)c1ccccc1 4499389 HHDZPVFZZNVJFM-UHFFFAOYSA-N 387.483 5.787 5 40 GKBB Ic1c(-c2ccccc2)c2ccccc2c2ccccc12 90560630 DLMIWIDZMSLNNJ-UHFFFAOYSA-N 380.228 6.265 5 40 GKBB Cc1cc(C)c(C)c(-c2nc3ccc4ccccc4c3c3c2C(=O)CC(C)(C)C3)c1 408972392 BGZICVRAZQUYTM-UHFFFAOYSA-N 393.530 7.135 5 40 GKBB O=C1c2ccccc2C[C@H]1Sc1ncnc2c1sc1nc3ccccc3cc12 1327867 QKFUZRLINJIBDZ-QGZVFWFLSA-N 399.500 5.292 5 40 GKBB COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)O 3978844 RAFGELQLHMBRHD-IFNPSABLSA-N 394.511 5.810 5 40 GKBB endogenous,in-man O=C(OCc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 4060546 JOVHMEOGNSISPK-UHFFFAOYSA-N 399.855 5.756 5 40 GKBB CCc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c1 5021699 MKAYYYANJNHCMJ-UHFFFAOYSA-N 395.422 5.106 5 40 GKBB CC(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 21595475 JOIHPIYWACWYOV-WYMLVPIESA-N 376.412 5.630 5 40 GKBB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 408624160 BHMJYRPOJUFGHV-ZRDIBKRKSA-N 398.422 5.098 5 40 GKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccccc1[N+](=O)[O-] 849436 FELNYOCSESOIQK-UHFFFAOYSA-N 393.786 5.309 5 40 GKBB O=[N+]([O-])c1ccc(C2=C(c3nc4ccccc4[nH]3)Sc3ccccc3N2)cc1 4149292 BLNOCPNRCZVWAG-UHFFFAOYSA-N 386.436 5.515 5 40 GKBB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 408619426 CAEYHHNGYXYEQE-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB S=C(Nc1ccc2ccccc2c1)Nc1cc2ncccc2c2cccnc12 408977989 XMDPOEHFCGCXJS-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1Cl 6449850 KFDUUNMSZQSVPD-CSKARUKUSA-N 382.803 5.469 5 40 GKBB c1cc2op(N3CCCC3)oc3ccc4c(c3c2c2c1CCCC2)CCCC4 1875251682 IPPGHIOZFPVFGC-UHFFFAOYSA-N 393.467 6.779 5 40 GKBB CCC(=O)c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 868207 PQYZYVXUJQDJPZ-UHFFFAOYSA-N 399.406 5.590 5 40 GKBB COc1ccc2nc3cc(Cl)ccc3c(Sc3ccccc3[N+](=O)[O-])c2c1 5550294 WPNFXZXCEGGGHQ-UHFFFAOYSA-N 396.855 6.109 5 40 GKBB Cc1ccc(COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 408558784 VOIXZHGICNCUBN-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2c3ccccc3cc3ccccc23)O1 708790 FCIFTQKVZPMRPF-NSYGIPOTSA-N 383.447 5.484 5 40 GKBB O=[N+]([O-])c1ccccc1SNc1nc(-c2cccs2)cc(C(F)(F)F)n1 3173841 SWAUYEGHRQIWTP-UHFFFAOYSA-N 398.391 5.251 5 40 GKBB O=[N+]([O-])c1ccc(Oc2ccc(-c3ccccc3)c(F)c2)c(Br)c1 4092062 WPWWYTBRHGCGOZ-UHFFFAOYSA-N 388.192 5.956 5 40 GKBB O=[N+]([O-])c1ccc(NCCOc2cccc3ccccc23)c(C(F)(F)F)c1 4182272 LKWKRZWADKMBQU-UHFFFAOYSA-N 376.334 5.258 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2sccc2n1Cc1ccc(F)cc1 1324351 ZLQWXRDVFXIQCV-UHFFFAOYSA-N 395.415 5.051 5 40 GKBB Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)c2ccccc2)c1 5193334 NYZTUMXXJIRZTD-UHFFFAOYSA-N 394.814 5.040 5 40 GKBB CCCCn1c2ccccc2c2nc3cc(OC(C)C)c(OC(C)C)cc3nc21 2288556 FBBZGXGFBQENQZ-UHFFFAOYSA-N 391.515 6.112 5 40 GKBB CCOc1cccc2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc12 4079234 KUQHVDROLBUQCT-UHFFFAOYSA-N 399.453 5.070 5 40 GKBB Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2)cc1 5002709 ZPUQWXJEGZRMER-UHFFFAOYSA-N 392.367 5.006 5 40 GKBB Cc1c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cccc1[N+](=O)[O-] 219839509 QPUFEDBWASPJMZ-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccccc2)cc1 3107745 GSTRSLBFULWALW-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(Cl)ccc1[N+](=O)[O-] 5193240 HTYIJIVUCIXIQM-UHFFFAOYSA-N 383.816 5.263 5 40 GKBB Cc1c(-c2nc3ccccc3s2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 6960100 VLNOWORTLFNTNN-UHFFFAOYSA-N 399.475 6.183 5 40 GKBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)oc2c1 839013 FOOWWGAGPWEHJW-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB COC(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 226302687 KULSMGMXSCHSKX-UHFFFAOYSA-N 381.428 5.109 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)n(O)c2ccccc12 1463196 DLOAPDDZZTZMMP-IBGZPJMESA-N 392.842 5.608 5 40 GKBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 17111600 YJJIXBKFIIGXBV-NJDAHSKKSA-N 377.827 5.628 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc3ccccc13)N2 408997770 SUHCWRDXYDFBEI-DMTNHVFBSA-N 392.458 6.219 5 40 GKBB Cc1cccc(C(C)C)c1N1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1 2117176 DJJJVUVJNPXHNO-UHFFFAOYSA-N 399.490 6.043 5 40 GKBB biogenic O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc2ccccc12 107897120 OGRBWSWNALIOIQ-UHFFFAOYSA-N 399.402 5.897 5 40 GKBB C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5119235 BEPDOJBMBAIUTJ-CQSZACIVSA-N 395.846 5.354 5 40 GKBB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)oc2c1 408625905 GAIGUAJBTXIIKB-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)C=C1CCCCC3=Cc4cc([N+](=O)[O-])ccc4OC13O2 1309205 HDMJTLQFCCKDFZ-UHFFFAOYSA-N 392.367 5.025 5 40 GKBB Cc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 27750142 NQFLGOPYKXJWMV-QHCPKHFHSA-N 399.450 5.246 5 40 GKBB CCCCCn1c(-c2ccc(OC)cc2)cn2c3ccc4ccccc4c3nc12 2217241 PLVANVABNHQPAK-UHFFFAOYSA-N 383.495 6.308 5 40 GKBB CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 4837944 LYJNOYFEKVIPGO-UHFFFAOYSA-N 376.368 5.145 5 40 GKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2cc(C)ccc2c1Cl 6279395 HLNNCRABZRUXLK-UHFFFAOYSA-N 376.821 5.032 5 40 GKBB COc1ccc(-c2nc3ccccc3s2)cc1OCc1ccccc1[N+](=O)[O-] 8165855 GIDIDJQNCGJMKF-UHFFFAOYSA-N 392.436 5.459 5 40 GKBB CC[C@@H](C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 8344693 ODKFYUKSPJVOMW-CYBMUJFWSA-N 396.472 5.181 5 40 GKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1ccccn1)c1ccccc1 11225486 LUPIWHJTSDGOFY-SFHVURJKSA-N 399.859 5.115 5 40 GKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1 861631 RBKRPFWWSNGIRE-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)/C(=C\c1ccccc1)c1ccccc1 1127335 OQSZUZFBRQKKAZ-AQTBWJFISA-N 378.815 5.428 5 40 GKBB COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3NC(C)=O)c2n1 1558200 XAYCWPMXKOKYBU-UHFFFAOYSA-N 392.846 5.147 5 40 GKBB COC(=O)c1ccccc1Sc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 22051046 JXYULDYPJMABHS-UHFFFAOYSA-N 395.436 5.112 5 40 GKBB in-vitro Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 224517748 NILRTBJNAFINBU-CYBMUJFWSA-N 376.840 5.086 5 40 GKBB CCSc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 4585770 PQRSNMFMRWKNCV-UHFFFAOYSA-N 385.470 5.083 5 40 GKBB Cc1cccc2c3nc4ccccc4nc3n(Cc3ccccc3OC(C)C)c12 5345289 VXQNZTTUXIPUDE-UHFFFAOYSA-N 381.479 5.882 5 40 GKBB O=[N+]([O-])c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C(F)(F)F 6843702 GQHPQVBWCINXIL-UHFFFAOYSA-N 375.302 6.198 5 40 GKBB Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc23)cc1 8607007 MUOIKCZAONTPCD-UHFFFAOYSA-N 398.397 5.596 5 40 GKBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SC(F)F 23227491 LUIDMYQWUSGMLA-SNVBAGLBSA-N 384.429 5.029 5 40 GKBB O=C(c1ccccc1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3204126 ZHJWJOUOTRJKJG-UHFFFAOYSA-N 392.461 5.587 5 40 GKBB C[C@@H](CC[C@@H](COc1ccccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)C)CC(C)(C)C 4582841 VOWXGOGQMZSMGZ-UFYCRDLUSA-N 391.596 7.515 5 40 GKBB O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 6227491 KHDDGRFZOGJREM-OAQYLSRUSA-N 397.883 6.355 5 40 GKBB O=[N+]([O-])c1cccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)c1 2252625 NSLDFQUQOWUCPY-UHFFFAOYSA-N 391.430 6.472 5 40 GKBB O=[N+]([O-])c1ccc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 17077080 OXZJFUHNZJMTNP-UHFFFAOYSA-N 376.652 5.364 5 40 GKBB CC(C)(C)c1ccc(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2)c(C(C)(C)C)c1 226070716 BLRWYJVQOCQVTJ-QFIPXVFZSA-N 398.611 5.298 5 40 GKBB Cc1cccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)c1 671419 RRPHWIRDOOLDHZ-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 1837417 GDFISLPPZKTKPE-LJQANCHMSA-N 392.392 5.749 5 40 GKBB O=[N+]([O-])c1ccccc1Oc1nc2ccccc2cc1-c1ccc(Cl)cc1 3050877 ILVDNRHBBBOFNP-UHFFFAOYSA-N 376.799 6.256 5 40 GKBB O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4893817 JNMKPLBGMRFHGV-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB CCNc1cc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])ccc1C 5687527 MEWACELKKSYMQT-UHFFFAOYSA-N 376.412 5.358 5 40 GKBB COc1cccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccccc23)c1 8024191 MJDWPMZCNGWALK-UHFFFAOYSA-N 396.406 5.158 5 40 GKBB COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cc1ccccc1 12996442 VCAMJPSLWNEAFS-UHFFFAOYSA-N 396.830 5.100 5 40 GKBB O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2cccc(Cl)c2)c1 44087340 UFMFCNDECQPZGG-UHFFFAOYSA-N 399.903 6.136 5 40 GKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 408557455 NOZFJBKHRVKYFD-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)c1 4898221 HRKHCDOBIWTWJM-OAQYLSRUSA-N 377.831 5.604 5 40 GKBB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 849438 ZVBPGEZRAHJERS-UHFFFAOYSA-N 393.786 5.309 5 40 GKBB O=C1c2ccccc2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C1CCCCC1 2744852 OCZCZHJNPDOMPB-IBGZPJMESA-N 385.851 5.147 5 40 GKBB O=c1cc(-c2ccccc2)c2nc3cc(Cl)ccc3sc-2c1-c1ccccc1 5119268 NAJYOFNXOAHJTR-UHFFFAOYSA-N 399.902 6.749 5 40 GKBB O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)cc1 408610752 SARIHCTUYCPQHY-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB Cc1ccc2c(Cl)c(C3=N/C(=C\c4ccccc4[N+](=O)[O-])C(=O)O3)sc2c1 408969331 LZAXAZSHKAIANU-LCYFTJDESA-N 398.827 5.116 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 1738495 FGPIDHMHTGZMFZ-UHFFFAOYSA-N 375.428 5.138 5 40 GKBB O=c1c2ccccc2oc2cc(OCc3ccc(Cl)cc3Cl)cc(O)c12 5420791 QROOBSQAPFJZKA-UHFFFAOYSA-N 387.218 5.538 5 40 GKBB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc2ncccc2c2cccnc12 408974985 IFYKWVJBZJVDTA-UHFFFAOYSA-N 382.345 5.446 5 40 GKBB Cc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409117318 MXYIVXKFFWYADK-UHFFFAOYSA-N 379.372 5.216 5 40 GKBB COc1ccc(C(=O)c2ccccc2)c(Oc2ccc(Cl)cc2[N+](=O)[O-])c1 3368106 XTDRMXBYONZYCH-UHFFFAOYSA-N 383.787 5.280 5 40 GKBB O=[N+]([O-])c1cc(Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 34515096 ZPNHAOMFUZPNML-UHFFFAOYSA-N 396.199 5.333 5 40 GKBB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 994465 BWPABIYSULHFFU-UHFFFAOYSA-N 391.383 5.174 5 40 GKBB COc1ccccc1-c1noc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)n1 8586842 RYLOADYWJDSKOA-UHFFFAOYSA-N 394.431 5.065 5 40 GKBB COc1ccccc1[C@@H](Nc1cccc([N+](=O)[O-])c1)c1c(C)[nH]c2ccccc12 1298082 IJBXTSLHRXTUHJ-HSZRJFAPSA-N 387.439 5.595 5 40 GKBB O=c1c2ccccc2c2nccc3c4cc(OCc5ccccc5)ccc4n1c32 6624416 OXBSPPACOHHZJE-UHFFFAOYSA-N 376.415 5.171 5 40 GKBB biogenic COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 409110473 WHSSXIYGSMRACO-UHFFFAOYSA-N 392.455 5.411 5 40 GKBB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)nc2c1c(=O)oc1ccccc12 4108182 PMQYWHGUEPDTSH-UHFFFAOYSA-N 399.233 5.209 5 40 GKBB N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1nc(-c2ccccc2)cs1 4603191 FSEJNMRVOXRVSE-UHFFFAOYSA-N 397.459 5.441 5 40 GKBB O=C(Oc1ccccc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 5510313 UFYIBXYWNOWRTA-UHFFFAOYSA-N 376.393 5.091 5 40 GKBB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 8915727 VDZRXGKVBPLLJL-UHFFFAOYSA-N 392.455 5.328 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(Cl)c1)N2 408994913 HUQOFUAMUHUCSY-BVSLBCMMSA-N 376.843 5.719 5 40 GKBB c1ccc(-c2ccc(-c3csc4nnc5c6ccccc6nc-5n34)cc2)cc1 642435 PUZQHIAUHOCUJH-UHFFFAOYSA-N 378.460 5.778 5 40 GKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccc(Cl)cc1 1768291 IUFYFDQKFJYEAB-UHFFFAOYSA-N 376.843 5.962 5 40 GKBB O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)NC3CCCCC3)cc2)cc1 408549574 VBIUBTBIUKMIOK-UHFFFAOYSA-N 387.530 5.365 5 40 GKBB Cc1ccc(OCCCn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 2263952 XPXOENDXWYOXQK-UHFFFAOYSA-N 381.479 5.824 5 40 GKBB CCCCCOP(=O)(OCCCCC)C(=O)Nc1ccc([N+](=O)[O-])cc1 5699833 RWSWYGMCDAPGDB-UHFFFAOYSA-N 386.385 5.733 5 40 GKBB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 226092694 AITUNOPXNGEKHV-UHFFFAOYSA-N 397.656 5.134 5 40 GKBB Cc1ccc(-c2nn(Cc3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)c2C)cc1 2733376 FOUJLMUGOTZZSZ-UHFFFAOYSA-N 397.478 6.099 5 40 GKBB O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1Cl 6661056 ZVXZWRXVOQRGRM-UHFFFAOYSA-N 384.218 5.505 5 40 GKBB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc3ccccc3c2n1 40384465 SIIQDIBCTJSMCS-UHFFFAOYSA-N 382.872 5.151 5 40 GKBB C[C@H]1Oc2cccc(-c3c4ccccc4cc4ccccc34)c2P1C(C)(C)C 1772768992 YOXUHULUPBYLBU-FQSKIORSSA-N 384.459 7.304 5 40 GKBB O=C(NC1CCCCCC1)c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21 2970417 NGSLHHXJRYRPON-UHFFFAOYSA-N 390.512 5.151 5 40 GKBB Cc1ccc2ccccc2c1COc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 5270974 GDIPTHLRWKHDCP-UHFFFAOYSA-N 396.442 6.001 5 40 GKBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 107611111 IPDCLIVVNOQBOQ-UHFFFAOYSA-N 381.240 5.677 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2 409336964 ROOQCCHLHAQHRL-GMWJVRMOSA-N 389.282 6.198 5 40 GKBB C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 10111760 GZXQKHZQOREQTC-OAHLLOKOSA-N 386.517 5.003 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1cccc(Cl)c1)CO2 55396203 VANHBYBSLMECLK-UHFFFAOYSA-N 391.854 5.260 5 40 GKBB biogenic CC(=O)Nc1cccc2c1ccc1nc(-c3ccccc3)c(-c3ccccc3)nc12 3844712 JNPUCIYPTGBANA-UHFFFAOYSA-N 389.458 6.075 5 40 GKBB biogenic COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 8113583 QKFBTEBXWVBOHD-UHFFFAOYSA-N 392.436 5.459 5 40 GKBB O=C(Nc1cccc2ccccc12)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975208 JEGKGFQDBJGLAQ-UHFFFAOYSA-N 388.430 5.670 5 40 GKBB Cc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 409115552 JMDVJCMJOHTQHY-UHFFFAOYSA-N 393.399 5.524 5 40 GKBB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 5235445 MYVJPTQHKVKORN-LADGPHEKSA-N 399.450 5.454 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1sc(-c2ccco2)nc1-c1ccccc1 13002479 VKKICIFKMOHZSJ-UHFFFAOYSA-N 391.408 5.231 5 40 GKBB CCC1(CC)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1 222693148 GBFOGIOPAOYDPW-KRWDZBQOSA-N 388.851 5.061 5 40 GKBB O=[N+]([O-])c1cnc(Nc2cccc(Cl)c2)nc1Nc1cccc(Cl)c1 4322527 YCBMYPBZUTYJMI-UHFFFAOYSA-N 376.203 5.179 5 40 GKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1C 6215890 ZBADHFWOMFPMKE-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccccc1 15011596 OWZULGZUIPOZKW-LDADJPATSA-N 392.392 5.096 5 40 GKBB Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 408624659 YSHHSPABWKLPQX-UHFFFAOYSA-N 393.424 5.334 5 40 GKBB Cc1ccccc1Nc1nnc(-c2cc3c(ccc4ccccc43)oc2=O)s1 4546779 ILDNWOLTDDILEN-UHFFFAOYSA-N 385.448 5.517 5 40 GKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1ccccn1)c1ccccc1 11225498 LUPIWHJTSDGOFY-GOSISDBHSA-N 399.859 5.115 5 40 GKBB Cc1ccc(Cl)cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921983 NHNPASRIFGQVBG-DEDYPNTBSA-N 392.842 5.736 5 40 GKBB COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1[N+](=O)[O-] 4815470 DFXUKRBNVISATE-UHFFFAOYSA-N 397.239 5.377 5 40 GKBB Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cc(Cl)ccc1Cl 5033371 GIWBGBQCSPRUFH-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB CC[C@@H](Nc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-])c1ccccc1 8586928 XTBWOSGPOLIBMR-MRXNPFEDSA-N 390.399 5.468 5 40 GKBB aggregator O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 968527 YJJIXBKFIIGXBV-ACRUOGEOSA-N 377.827 5.628 5 40 GKBB Cc1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccccc1 1454575 SGCOYYSXLCLLNZ-UHFFFAOYSA-N 387.391 5.256 5 40 GKBB biogenic CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 4545553 NGGISFSTYUQVBW-SCLBCKFNSA-N 399.516 5.626 5 40 GKBB Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2Cc2ccccc2)cc1 13511376 BTBGSUFTRTXZMO-UHFFFAOYSA-N 387.486 6.466 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)N1c2ccccc2Sc2ccccc21 13717286 GWGJBBXHGLBEEU-UHFFFAOYSA-N 397.843 6.083 5 40 GKBB Cc1c(O)ccc2c1oc1c(-c3cccc(O)c3)c3c(O)nn(C(C)C)c3nc12 79477445 XZZDGNHMIOJYII-UHFFFAOYSA-N 389.411 5.004 5 40 GKBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2cccc(Cl)c2)cc1 408676455 IYGDPJFIYXQABU-UHFFFAOYSA-N 382.803 5.222 5 40 GKBB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 409109780 LGTDZWSQXOCTHY-UHFFFAOYSA-N 396.874 6.056 5 40 GKBB Cc1nn(-c2ccc(F)c(Cl)c2)c(C)c1-c1cc([N+](=O)[O-])ccc1Cl 5724267 FGXQINXXKRZSAO-UHFFFAOYSA-N 380.206 5.510 5 40 GKBB COc1ccc(Nc2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 81217761 QAJVOKQBHHUTAS-UHFFFAOYSA-N 380.791 5.097 5 40 GKBB Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 793739 WTJJMVHRPGLFDM-UHFFFAOYSA-N 382.419 6.035 5 40 GKBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 831396 COXDFBQWPZBLSY-LJQANCHMSA-N 379.803 5.019 5 40 GKBB Cc1ccc([C@H]2C[C@@H]2c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 13643589 VRNKRRHPRBRCPM-CVEARBPZSA-N 385.496 5.084 5 40 GKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2F)c1 408556078 HMWYGLUQTKAKRZ-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB O=C(O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 409336389 OBJGOGIRJQABGE-GKAQVKTCSA-N 398.846 5.243 5 40 GKBB CCN(CC)c1cc(Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c2nonc12 5025107 ZMCAVHGTCDTLEA-UHFFFAOYSA-N 396.234 5.028 5 40 GKBB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 7401726 AFFOXLYXWZEDPF-HNNXBMFYSA-N 386.517 5.961 5 40 GKBB O=[N+]([O-])C[C@H](c1ccc(OCc2ccc(F)cc2)cc1)c1c[nH]c2ccccc12 408569585 JRQANSWKYAKRRF-JOCHJYFZSA-N 390.414 5.295 5 40 GKBB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Cl)ccc1[N+](=O)[O-] 2773605 MVXJBDQKKHVMSO-UHFFFAOYSA-N 379.121 5.173 5 40 GKBB O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 210202336 YJEYIYGOIBHLJH-FWPHUCDGSA-N 386.816 5.045 5 40 GKBB O=C(CCCSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 222689156 JCEYJTYVPKCQFQ-UHFFFAOYSA-N 385.272 5.413 5 40 GKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc34)cc2)c1 408557863 PCSLBRWDGCFZBA-UHFFFAOYSA-N 384.435 5.939 5 40 GKBB C[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)N(C)c1ccccc1 3393258 RHOCKQURMNTHBG-QGZVFWFLSA-N 383.447 5.201 5 40 GKBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCCCCC1 6897059 RTWSBDWLEQNVBZ-UHFFFAOYSA-N 392.553 5.571 5 40 GKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225505751 BYTLTZXASSHQFU-UHFFFAOYSA-N 382.460 5.224 5 40 GKBB O=C(Oc1ccc(Cl)cc1)c1ccc2sc3nc4ccccc4nc3c2c1 408974961 GSTKVSQYARKQBI-UHFFFAOYSA-N 390.851 5.870 5 40 GKBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccc(C)cc3)[nH]c3ccccc23)cc1 946561 USZQKWNLCPCDET-NRFANRHFSA-N 386.451 5.561 5 40 GKBB Cc1ccccc1C(=O)Nc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1Cl 72229109 ZFMSOSXOIMAALO-CQSZACIVSA-N 387.867 5.188 5 40 GKBB CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCCCC1 95480337 HVCIJNJQOXVLNN-UHFFFAOYSA-N 393.487 5.836 5 40 GKBB Cc1ccc(/N=c2\oc3c(ccc4ccccc43)nc2Nc2ccc(C)cc2)cc1 103711092 GSOTZVOLIKXGDS-SGEDCAFJSA-N 391.474 6.574 5 40 GKBB Cc1cccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2)c1 1313260 GYACGOYDUSSHLW-UHFFFAOYSA-N 392.367 5.006 5 40 GKBB Cc1cc([C@@]2(C)Cc3c(cc(C)c([N+](=O)[O-])c3C)C2(C)C)cc(C)c1[N+](=O)[O-] 2187276 HGLAXHLPKCGCIB-JOCHJYFZSA-N 382.460 5.528 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2Cc1ccccc1Cl 2191365 UOVQOQMNPPJGNL-UHFFFAOYSA-N 381.775 5.313 5 40 GKBB CCCCN(CCCC)CCCC[C@@H](O)c1cc2ccccc2c2ccccc12 5973405 CLKYKEBGXBMHSU-HHHXNRCGSA-N 391.599 7.099 5 40 GKBB C[C@H](Nc1c([N+](=O)[O-])c(=O)oc2ccccc12)c1ccc(-c2ccccc2)cc1 59488858 CFHQZGSUNVYZTE-HNNXBMFYSA-N 386.407 5.541 5 40 GKBB S=C(Nc1cccc2ccccc12)Nc1cc2cccnc2c2ncccc12 6548989 SPZHVFZOEIUAAO-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 10111759 GZXQKHZQOREQTC-HNNXBMFYSA-N 386.517 5.003 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN([C@H]1CCCc3ccccc31)CO2 61997723 WODRETOMDXVIDU-QHCPKHFHSA-N 397.474 5.484 5 40 GKBB biogenic Oc1ccc2c(c1)oc1c(-c3ccco3)c3c(O)nn(C4CCCC4)c3nc12 95477497 GZDBNJGHXVVXID-UHFFFAOYSA-N 375.384 5.117 5 40 GKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 408554826 FWENSKLSZKLMRW-UHFFFAOYSA-N 392.455 5.493 5 40 GKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccccc1Cl 3291023 ZJGMNKORBDIASR-UHFFFAOYSA-N 397.814 5.184 5 40 GKBB CCc1cc(Br)c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 3153999 LQSQYVMITWTWKW-UHFFFAOYSA-N 389.252 5.041 5 40 GKBB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 22512775 YJYXNSPMRHSIIP-RPNTZMPASA-N 386.451 5.321 5 40 GKBB C[C@@]12CC[C@@H]3c4ccc(Cc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4946136 QABYAMHXIHGLLY-KNAFXUBQSA-N 389.495 5.611 5 40 GKBB CCCN1C(=O)c2c(cc(Oc3ccccc3)cc2[N+](=O)[O-])Oc2ccccc21 1083571 ADYDGCDQODOPLE-UHFFFAOYSA-N 390.395 5.550 5 40 GKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n([C@H](C)CC)c(C)nc21 2377150 TXTNIXZPLLWKHS-OAHLLOKOSA-N 391.519 5.154 5 40 GKBB Cc1ccccc1-c1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n12 5206683 BKKMDQTZEMFJMW-UHFFFAOYSA-N 377.403 5.118 5 40 GKBB CCCCOc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 6323552 KPPMDOMHHOKFSH-UHFFFAOYSA-N 397.456 5.150 5 40 GKBB CC(C)(C)c1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc1 27793970 RPDWKLWKEYLRML-UHFFFAOYSA-N 389.455 5.134 5 40 GKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1F 408541206 CAADFNDJDLPZSJ-LUAWRHEFSA-N 398.390 5.178 5 40 GKBB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cs1 12975322 QTLSYZKQFZEHIK-UHFFFAOYSA-N 399.497 5.213 5 40 GKBB Cc1ccc(Oc2ccc3c4c2C(=O)c2ccccc2-c4c([N+](=O)[O-])n3C)cc1 85409359 FASWLTCVERPZRR-UHFFFAOYSA-N 384.391 5.399 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 100377716 NNPGXNNMHLKNCA-UDBGOSAKSA-N 389.282 6.198 5 40 GKBB CCN(CC)c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] 72229345 GDQAFDFTEQQBMU-UHFFFAOYSA-N 382.247 5.000 5 40 GKBB CC(C)CCN(CCC(C)C)C[C@@H](O)c1ccc2ccc3ccccc3c2c1 5962622 DBSQXIIOQRMASQ-AREMUKBSSA-N 377.572 6.421 5 40 GKBB COc1ccc([C@H]2CCCN2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 15836928 RBVNERPDMZVXIP-HXUWFJFHSA-N 378.428 5.201 5 40 GKBB O=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250220 DQBBHOZNUJCJAJ-UHFFFAOYSA-N 388.075 5.991 5 40 GKBB O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2570739 KHDDGRFZOGJREM-NRFANRHFSA-N 397.883 6.355 5 40 GKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 6322377 HVFPBVJERKIZRF-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB Cc1cccc2c1ccc1c3occ(C)c3c3nc(-c4cccc(O)c4)[nH]c3c21 1547205843 SXRHRLQCARSCLA-UHFFFAOYSA-N 378.431 6.605 5 40 GKBB O=[N+]([O-])c1ccc2nc(Nc3ccc(Cl)cc3)nc(-c3ccccc3)c2c1 3330918 JBBCEBLDCHXKDR-UHFFFAOYSA-N 376.803 5.602 5 40 GKBB CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1 409002298 SVQYEQUNOONAHF-QTJGBDASSA-N 386.451 5.465 5 40 GKBB Cc1ccc(N[C]2NC(c3cc4c(ccc5ccccc54)oc3=O)=CS2)cc1 409416292 AQWRQZLUMCOXFW-UHFFFAOYSA-N 385.468 5.449 5 40 GKBB O=c1cc(CSc2ccc3c(c2)OCCCO3)c2c(ccc3ccccc32)o1 6436807 XOPOEGRENZPCFV-UHFFFAOYSA-N 390.460 5.400 5 40 GKBB CCCOc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 4543850 OSHZNHBHDUAOGL-UHFFFAOYSA-N 389.498 7.511 5 40 GKBB O=[N+]([O-])c1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1 826962 YMWVVNRXRGIEDD-UHFFFAOYSA-N 380.407 5.800 5 40 GKBB O=c1c2ccccc2c2nccc3c4cc(OCc5ccccc5F)ccc4n1c32 6624652 RRLLZBLAEFUUOI-UHFFFAOYSA-N 394.405 5.310 5 40 GKBB biogenic O=C1c2ccccc2N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C1CCCCC1 2744853 OCZCZHJNPDOMPB-LJQANCHMSA-N 385.851 5.147 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2ccco2)nc2ccccc12 2747238 NJTYNNBKKNDYPT-UHFFFAOYSA-N 393.786 5.309 5 40 GKBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Oc2ccccc2)cc1 3416232 UKTJLMJDIRKXPC-UHFFFAOYSA-N 398.802 5.058 5 40 GKBB Cc1ccc([C@@H]2C[C@@H]2c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 13643586 VRNKRRHPRBRCPM-HOTGVXAUSA-N 385.496 5.084 5 40 GKBB CC1(C)CCC2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1ccc([N+](=O)[O-])cc1 104155300 SEZYNTUGGDUUHM-FQEVSTJZSA-N 383.879 6.291 5 40 GKBB CC(C)N(C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)C(C)C 104583510 DHLFSGDPDFZHEP-UHFFFAOYSA-N 378.501 5.047 5 40 GKBB O=[N+]([O-])c1ccccc1Cn1cc(-c2nc3ccccc3s2)c2ccccc21 6971892 LROWQACQICEYGK-UHFFFAOYSA-N 385.448 5.875 5 40 GKBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCCCC1 33741089 SGYFCYQNRZXDSK-UHFFFAOYSA-N 378.526 5.180 5 40 GKBB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 57316219 UVNDGLXNORBSCY-DHZHZOJOSA-N 391.408 5.116 5 40 GKBB Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(O)CC(C)(C)CC1=N2 102535137 IKAQHXDGETYTEE-NRFANRHFSA-N 377.444 5.775 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@H]1O[C@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]12 106534529 ABSHAPYWJDXNFP-VAFBSOEGSA-N 382.612 5.829 5 40 GKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 408563444 AKEMKBHWESUMMV-UHFFFAOYSA-N 392.480 5.756 5 40 GKBB O=[N+]([O-])c1cccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)c1 31716501 HVTDXCCUTDYKSZ-ZEQRLZLVSA-N 382.419 5.518 5 40 GKBB O=C(Nc1ccc2ccccc2c1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975126 HWLDIZXMESGOJI-UHFFFAOYSA-N 388.430 5.670 5 40 GKBB O=[N+]([O-])c1c(Nc2cc(C(F)(F)F)ccc2Cl)cc(Cl)c2nonc12 4836785 YHGALULLPDGAJF-UHFFFAOYSA-N 393.108 5.200 5 40 GKBB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl 48545449 ABSSTPFVBWELLK-PKNBQFBNSA-N 382.803 5.469 5 40 GKBB Cc1cc([N+](=O)[O-])cc(Br)c1N1CCC(Cc2ccccc2)CC1 575415029 KNMGXDSIZSUPET-UHFFFAOYSA-N 389.293 5.125 5 40 GKBB CCC(=O)Nc1ccc2c(c1)nc(-c1ccccc1)c1cc(NC(=O)CC)ccc12 1428911 VLHMVTKWRFOGDY-UHFFFAOYSA-N 397.478 5.752 5 40 GKBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 821776 ZZIVWIINGXPQLK-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB Cc1c2ccccc2c(CSCC[C@@H](N)C(=O)O)c2ccc3ccccc3c12 1678476 PZYDJZNTAVBABA-JOCHJYFZSA-N 389.520 5.490 5 40 GKBB Cc1csc(Sc2ccc(C(=O)Nc3c(C)cccc3C)cc2[N+](=O)[O-])n1 15992431 MLKMIMWVXFNWSV-UHFFFAOYSA-N 399.497 5.380 5 40 GKBB CCCC[C@@H](CC)CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223425074 NZOZTTYMMYDTRA-IPEVAPCJSA-N 380.488 5.468 5 40 GKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2c(c1)Cc1ccccc1-2 1694591 DHENEICSKGFRFZ-UHFFFAOYSA-N 387.438 5.075 5 40 GKBB COc1ccc(-c2c/c(=N\c3cccc([N+](=O)[O-])c3)c3cc(C)ccc3o2)cc1 1912123 HIPVGKZKHZMLDE-DARPEHSRSA-N 386.407 5.557 5 40 GKBB Cc1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1C 408975981 OGIFWGMDPANAMX-UHFFFAOYSA-N 383.476 5.867 5 40 GKBB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 859869 XSAARVNWTMKIRM-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)c2ccccc2c1O 4014158 VPAODTWFRWVEBG-UHFFFAOYSA-N 377.183 5.013 5 40 GKBB CC(C)(C)c1ccc(OC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408976075 PCNTWQVLWGFCSA-UHFFFAOYSA-N 395.462 5.781 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2Cl)cc1 7699685 QIDRYXZKATWTBR-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB O=S(=O)(Nc1ccnc2c1ccc1ccccc12)c1cccc2ccccc12 40384325 XFICNBSIUYFOFT-UHFFFAOYSA-N 384.460 5.342 5 40 GKBB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1 59179685 JRTOZIAYBDTVBV-UHFFFAOYSA-N 399.472 5.281 5 40 GKBB CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 89960809 FHEPLSOOEILTID-NRFANRHFSA-N 393.418 5.377 5 40 GKBB CCOc1ccc2ccccc2c1CNCCNc1ccc([N+](=O)[O-])cc1Cl 8325090 PFJIWODWRJGBJS-UHFFFAOYSA-N 399.878 5.002 5 40 GKBB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 828369 GJMWWFNRZSYREK-KKSFZXQISA-N 387.439 5.187 5 40 GKBB CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](C)c1cc2ccccc2o1 65702391 LBIXUNVSTFBXMG-ZDUSSCGKSA-N 377.400 5.046 5 40 GKBB COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)O 1307259448 RAFGELQLHMBRHD-WPNTZHEDSA-N 394.511 5.810 5 40 GKBB O=C(Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 2051109 JEFCILHFHZVYEE-OWOJBTEDSA-N 378.815 5.671 5 40 GKBB C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 4719694 MCCDZVFPRDLZRM-IIBYNOLFSA-N 387.439 5.187 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1cccc(C(F)(F)F)c1 5390804 UFBVJRIQOIEUPW-UHFFFAOYSA-N 395.215 5.284 5 40 GKBB CCCc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1 6221517 YDZHFLFKQLYUKD-UHFFFAOYSA-N 381.457 5.232 5 40 GKBB Cc1noc(C)c1CCC(=O)Nc1c2ccccc2n2c(C)nc3ccccc3c12 32675775 JSZYLZKOTQVBMA-UHFFFAOYSA-N 398.466 5.125 5 40 GKBB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 843988 APGCTZVRNICQRX-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB Cc1cccc(Nc2ccccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C 3251902 LJVVWPBGHVSFIU-UHFFFAOYSA-N 376.412 5.312 5 40 GKBB CCCOc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC 4114668 IRXMSPUJHLTZRT-UHFFFAOYSA-N 384.439 5.124 5 40 GKBB Cc1ccc(OP(=O)(Nc2ccc([N+](=O)[O-])cn2)Oc2ccc(C)cc2)cc1 4823467 SKPHKNYHLJTWMP-UHFFFAOYSA-N 399.343 5.285 5 40 GKBB Cc1ccc2cc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(Cl)nc2c1 13003314 MUIWTGKXIGKJMY-UHFFFAOYSA-N 390.270 5.390 5 40 GKBB O=[N+]([O-])c1cccc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 100415249 ZTQYNTGVQCHUOU-QFIPXVFZSA-N 386.432 5.845 5 40 GKBB Cc1ccc(S(=O)(=O)N(c2cc(C)ccc2C)c2ccccc2[N+](=O)[O-])cc1 4946359 IEOGJQJLEOEOTI-UHFFFAOYSA-N 396.468 5.047 5 40 GKBB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20493086 VZTLKNZLYZZYBP-HNNXBMFYSA-N 385.272 5.411 5 40 GKBB O=c1c2ccc(Cl)cc2nc2nc(-c3ccccc3)c3cc(Cl)ccc3n12 1589434 VKEDJBHCCUTJMR-UHFFFAOYSA-N 392.245 5.370 5 40 GKBB Cc1ccc(CN(C)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 30855622 IOBWZIQSAPINBQ-XQNSMLJCSA-N 386.451 5.102 5 40 GKBB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408977788 YDTKLKQWYGJBGU-CQSZACIVSA-N 395.487 5.589 5 40 GKBB O=[N+]([O-])C[C@H](c1ccccc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 1463235 YZZSNIYKSNOYFU-LJQANCHMSA-N 376.843 5.897 5 40 GKBB Brc1cc2ccc(I)cc2c2ccccc12 1701619 RPKJRZLFDWPODU-UHFFFAOYSA-N 383.026 5.360 5 40 GKBB O=[N+]([O-])c1ccc(CSCCCSCc2ccc([N+](=O)[O-])cc2)cc1 6883218 XFMJYXVLNPYZEJ-UHFFFAOYSA-N 378.475 5.060 5 40 GKBB c1ccc2c(c1)c1cccc3c4cccc5c6ccccc6c6sc2c(c13)c6c54 32290628 XGBPPZOOIHXSTA-UHFFFAOYSA-N 382.487 8.696 5 40 GKBB CCN(CC)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] 72229250 HHFXHHFLPATGOO-UHFFFAOYSA-N 382.247 5.000 5 40 GKBB O=[N+]([O-])c1ccc(Br)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250218 DBIXLDVGMYWDJC-UHFFFAOYSA-N 398.081 5.447 5 40 GKBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 5258927 ITEGVPDPCDBRGA-UHFFFAOYSA-N 398.503 5.841 5 40 GKBB O=C(Nc1cccc2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6886092 YYVRERKKNDIIRG-UHFFFAOYSA-N 392.798 5.914 5 40 GKBB CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)O 2386122 JDYATIJHVFTYFG-IBGZPJMESA-N 389.451 5.104 5 40 GKBB Cc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 4134619 HWUKNYJOVZFHQH-HXUWFJFHSA-N 390.870 6.205 5 40 GKBB O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1 409094149 CJAZXOKBJHXKFM-XSFVSMFZSA-N 395.484 5.061 5 40 GKBB O=c1c(-c2nc3ccccc3s2)c2sc3ccccc3n2c2ccccc12 2207724 GCGYNMZDQZKFAV-UHFFFAOYSA-N 384.485 5.944 5 40 GKBB O=[N+]([O-])c1ccc(COc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 226294834 OWUPWHGIJKQIRK-UHFFFAOYSA-N 380.787 5.635 5 40 GKBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1Cl 3079771 OIIBRKKUEPLCRH-UHFFFAOYSA-N 375.815 5.972 5 40 GKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 4545548 PACITYLYJIACQT-KZULUSFZSA-N 399.516 5.626 5 40 GKBB C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 4719693 MCCDZVFPRDLZRM-KKSFZXQISA-N 387.439 5.187 5 40 GKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 7069268 LUSZASTUYUOAPH-FQNOHDAGSA-N 394.402 5.227 5 40 GKBB O=[N+]([O-])c1cccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)c1 31716510 HVTDXCCUTDYKSZ-RPWUZVMVSA-N 382.419 5.518 5 40 GKBB C[C@@H]1CN(C(=O)c2ccccc2)O[C@H](c2c3ccccc3cc3ccccc23)O1 708792 FCIFTQKVZPMRPF-CRICUBBOSA-N 383.447 5.484 5 40 GKBB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-] 856121 PIYNZQJYBNVPMT-UHFFFAOYSA-N 383.407 5.371 5 40 GKBB Cc1cc2c(cc1C)CSC(c1c(O)ccc3cc([N+](=O)[O-])ccc13)SC2 1797907 ZBRJMMQHPOMZSY-UHFFFAOYSA-N 397.521 6.249 5 40 GKBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 33656526 ZEHLNRUMNMMQQK-YRNVUSSQSA-N 398.390 5.178 5 40 GKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nc2ccccc2s1 3247166 JIESZPAREQPPBB-UHFFFAOYSA-N 390.420 5.229 5 40 GKBB Cc1ccc(/N=c2/oc3c(ccc4ccccc43)nc2Nc2ccc(C)cc2)cc1 17154874 GSOTZVOLIKXGDS-BYCLXTJYSA-N 391.474 6.574 5 40 GKBB Cc1noc(/C=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1[N+](=O)[O-] 6571247 YDKHQGISRYJZCF-DHZHZOJOSA-N 377.375 5.204 5 40 GKBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1 7093620 YBPYQYHTXNDWLR-UHFFFAOYSA-N 378.453 5.134 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SCc1ccccc1 7684525 ADAASBBBJPFKKG-UHFFFAOYSA-N 378.453 5.448 5 40 GKBB Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 824710 OMJGZSANHAXAIK-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1cccc([N+](=O)[O-])c1 1448892 CDZJZVDYUILCKW-QFIPXVFZSA-N 384.391 5.089 5 40 GKBB aggregator Brc1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2 34215339 BIRQBMOOWFCVRG-UHFFFAOYSA-N 389.256 5.418 5 40 GKBB in-vitro CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/c1cccc2ccccc12 102626366 BEQABNJFNFVINR-QURGRASLSA-N 375.453 5.530 5 40 GKBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 225677646 CNIFHRZGSVTCSH-UHFFFAOYSA-N 390.439 5.207 5 40 GKBB CC(C)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409137354 WAMNWBZBKYNSKY-CJLVFECKSA-N 386.451 5.898 5 40 GKBB CCCCOc1ccccc1Cn1c2ccccc2c2nc3ccccc3nc21 2668006 OKNMIZQKXZSBLM-UHFFFAOYSA-N 381.479 5.965 5 40 GKBB COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H](c2ccccc2)[N+](=O)[O-])cc1 1715102 BQYGWJZQQPXFAJ-GGAORHGYSA-N 375.424 5.070 5 40 GKBB CC(C)(C)CC(C)(C)c1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1776103 YTJLLSKDQUSXLR-NTEUORMPSA-N 381.472 5.927 5 40 GKBB C[C@H](Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl)c1ccccc1 72038860 USWAKGPLCSECKG-AWEZNQCLSA-N 395.846 5.674 5 40 GKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536262 MFJJWENFKLBTED-UHFFFAOYSA-N 396.487 5.614 5 40 GKBB O=c1c2ccccc2c2nc3c(c(-c4ccc(Cl)cc4)c12)c(=O)c1ccccc13 3178277 XDVNMLCZRLNPQY-UHFFFAOYSA-N 393.829 5.611 5 40 GKBB CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 44087805 ARGGXXFBLSYQEY-UHFFFAOYSA-N 379.363 5.188 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(Cl)c1)N2 408994914 HUQOFUAMUHUCSY-HJNYFJLDSA-N 376.843 5.719 5 40 GKBB Cc1cccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)c1C 4549730 SGAAXDHXJRKTBJ-UHFFFAOYSA-N 399.475 5.825 5 40 GKBB COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1 6282490 MGRAXOUSPSMIJX-UHFFFAOYSA-N 389.386 5.467 5 40 GKBB O=C(Nc1ccc(Cl)cc1)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 3128277 NVKRYAWPWXHISK-UHFFFAOYSA-N 392.795 5.493 5 40 GKBB O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 8020242 ZLMVICRXPBFOSI-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc12 408619979 FOTOFQSIDHOKJL-UHFFFAOYSA-N 393.424 5.334 5 40 GKBB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc21 409118330 PBSHDBSMASFOFK-UYRXBGFRSA-N 388.423 5.398 5 40 GKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 4550296 LZMSYRHMDLBRBL-HWKANZROSA-N 385.634 5.515 5 40 GKBB CC[C@H](C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 6449808 FWVQUCJRRBDIEL-NSHDSACASA-N 377.238 5.123 5 40 GKBB C[C@H](SC1=Nc2ccccc2CS1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9602156 YMKDQNLLWJLDBF-NSHDSACASA-N 398.469 5.374 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 409333851 DPSQZFKBCIXMIK-LAXZETSFSA-N 389.282 6.198 5 40 GKBB COc1ccc(-c2ccc3cc4ccc(-c5ccc(OC)cc5)nc4cc3n2)cc1 3845046 UQTZDQZAUVDUHT-UHFFFAOYSA-N 392.458 6.134 5 40 GKBB biogenic CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1 4659227 JUZMXMGLYPBTBJ-MRXNPFEDSA-N 376.456 5.689 5 40 GKBB O=[N+]([O-])c1cccc([C@H]2[C@@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)c1 4899007 SYLCDKGPBDWDOE-QEIHPUECSA-N 399.450 5.989 5 40 GKBB Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cccc1[N+](=O)[O-] 8330917 GUHXEHMGMBJJTN-UHFFFAOYSA-N 382.803 5.601 5 40 GKBB Cc1cc(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)ccc1[N+](=O)[O-] 15544795 HJNZELRBGULZGH-UHFFFAOYSA-N 398.871 5.960 5 40 GKBB Cc1cccc(-c2nn(Cc3ccc([N+](=O)[O-])cc3)c(-c3cccc(C)c3)c2C)c1 17081293 XUAITKRUGMTYSH-UHFFFAOYSA-N 397.478 6.099 5 40 GKBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SC1CCCC1 44086848 TZYRUJGBSGOFRB-UHFFFAOYSA-N 379.485 5.791 5 40 GKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC(C)C 225537986 FUYDGZGCXLWRSE-UHFFFAOYSA-N 396.487 5.531 5 40 GKBB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 408621354 MAJHSUMZGXEULV-UHFFFAOYSA-N 388.851 5.313 5 40 GKBB Cc1ccc(Cl)cc1N1COc2ccc3c(oc(=O)c4ccccc43)c2C1 2158463 MKUCRZLYDGQSNA-UHFFFAOYSA-N 377.827 5.265 5 40 GKBB biogenic CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 2313348 CXJSXMQFEKNDDM-UHFFFAOYSA-N 391.383 5.372 5 40 GKBB COc1ccc(-c2cc(-c3ccccc3)c3ccc4ncnc5ccc2c3c45)cc1 2305634 SQOVEWGERCFWTA-UHFFFAOYSA-N 386.454 6.717 5 40 GKBB CCc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 4969975 VPVHHEHKOAWINO-UHFFFAOYSA-N 394.434 5.711 5 40 GKBB CC[C@@H](C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Br 6440277 FWVQUCJRRBDIEL-LLVKDONJSA-N 377.238 5.123 5 40 GKBB Cc1ccc(/C=C\c2cc3c(ccc4ccc5ccccc5c43)c3ccccc23)cc1 8383997 DRTVVTBRQGCBDA-PFONDFGASA-N 394.517 8.778 5 40 GKBB O=c1cc(CSc2nnc(-c3cccs3)[nH]2)c2c(ccc3ccccc32)o1 6035400 HIHBAQXBGVNXAH-UHFFFAOYSA-N 391.477 5.085 5 40 GKBB CCC(=O)Oc1cn(-c2ccc(C)cc2)c2nc(CC)n3c4ccccc4nc3c12 13541306 ANTJSQQNDJQAAH-UHFFFAOYSA-N 398.466 5.013 5 40 GKBB Cc1noc(C[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] 19872760 PPXWCPRVCKPSFY-MRXNPFEDSA-N 384.819 5.144 5 40 GKBB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 40882676 DCLMAHCNXGFCIF-UHFFFAOYSA-N 381.457 5.268 5 40 GKBB O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccc(Cl)cc1 59498092 JNYLZGFRAWCUTO-HXUWFJFHSA-N 393.830 5.015 5 40 GKBB O=[N+]([O-])c1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1 408609141 OHDGHDYWIGVYHP-UHFFFAOYSA-N 384.435 5.939 5 40 GKBB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409101085 PMGCCWQGOUIIDC-ZDLGFXPLSA-N 398.827 5.594 5 40 GKBB O=[N+]([O-])c1cc(Br)cc(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250437 MGZMWZZERPNEEL-UHFFFAOYSA-N 398.081 5.447 5 40 GKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 4545546 PACITYLYJIACQT-XIKOKIGWSA-N 399.516 5.626 5 40 GKBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1cccc(C)c1 2193241 RIPVYJKTNBUZSH-UHFFFAOYSA-N 397.478 5.524 5 40 GKBB Cc1cc2sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl 6826369 TYXYTXRWVQMCQE-UHFFFAOYSA-N 382.228 5.072 5 40 GKBB CCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1cccc([N+](=O)[O-])c1 16711351 OZUTWPAXVYMTJQ-DQRAZIAOSA-N 375.453 5.530 5 40 GKBB CCCCc1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 32118647 VKZGBAMALYIEHQ-UHFFFAOYSA-N 389.864 5.453 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 409001732 QZVSWUXTYPCXOH-QKQOXNHBSA-N 388.389 5.910 5 40 GKBB O=C(O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 409336390 OBJGOGIRJQABGE-RKJZQPHBSA-N 398.846 5.243 5 40 GKBB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 4034029 UPFIWPWWEHGFKK-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)c1 4072643 LGPIIUVIYCCLKP-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB C1CCC(CC[N+]2(CCCC[N+]3(CCC4CCCC4)CCCC3)CCCC2)C1 585151861 RWSTXOCKURWWLJ-UHFFFAOYSA-N 390.700 6.148 5 40 GKBB C(=C/c1c2ccccc2nc2ccccc12)\c1c2ccccc2nc2ccccc12 8627250 HPHSXUJDNGYBHI-ISLYRVAYSA-N 382.466 7.260 5 40 GKBB Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1 67322065 KRQXWVZRNZHLAV-UHFFFAOYSA-N 390.262 5.533 5 40 GKBB CC(C)c1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc1 1799294 CHBRIMLAGIYQDV-QHCPKHFHSA-N 398.506 6.377 5 40 GKBB COc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 4155257 LXEGMRBKYPXDQS-HXUWFJFHSA-N 394.452 5.076 5 40 GKBB Cc1ccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl 409055246 XYZLWZQHSALLDW-UHFFFAOYSA-N 398.871 5.960 5 40 GKBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccccc1)n1c3ccccc3nc21 5205817 QLFQKYMHJRUJJO-UHFFFAOYSA-N 390.446 5.038 5 40 GKBB O=c1c2ccccc2c2ncc(-c3ccccc3Cl)c3c4ccccc4n1c23 6624483 VLFLRYVMVHVJGK-UHFFFAOYSA-N 380.834 5.912 5 40 GKBB biogenic Cc1cc(C)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 409120314 VIOCYLUYISUWNF-PXLXIMEGSA-N 386.451 5.699 5 40 GKBB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] 677439 RYXYNQOHINUSSV-UHFFFAOYSA-N 391.358 5.103 5 40 GKBB O=[N+]([O-])c1ccc(Sc2ccc(Br)cc2)c(Br)c1 1406388 GIJUGFMZGDJPHE-UHFFFAOYSA-N 389.068 5.271 5 40 GKBB O=[N+]([O-])c1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1 1712060 CCRUNYVIZSABGB-UHFFFAOYSA-N 381.522 6.460 5 40 GKBB CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc32)cc1 24522952 HLOSKNAFKGNRRE-UHFFFAOYSA-N 385.467 5.957 5 40 GKBB COc1cc(CNc2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409122543 ZIYWUQJNJQHUIM-UHFFFAOYSA-N 378.428 5.103 5 40 GKBB CCc1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2245737 SBTHSBHYGHBIGH-UHFFFAOYSA-N 395.422 5.106 5 40 GKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)c1c(-c2ccccc2)cc2ccccn12 3185777 HUUCWJQTEVBGHB-UHFFFAOYSA-N 376.799 5.399 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(C[C@@H](C)c1ccccc1)CO2 20610307 CKEMGGRMAJNXHM-MRXNPFEDSA-N 385.463 5.210 5 40 GKBB biogenic C[C@]1(c2ccccc2)CCN2CC[C@](C)(c3ccccc3)c3c([N+](=O)[O-])ccc1c32 253575573 UTXMBGTUNZEMLI-CLJLJLNGSA-N 398.506 5.821 5 40 GKBB CC[N+](CC)(CCN1c2ccccc2Sc2ccccc21)Cc1ccccc1 5333431 RSBVLJXNJZDUMC-UHFFFAOYSA-N 389.588 6.346 5 40 GKBB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 408573911 FGAJYEDJYKCCEB-UHFFFAOYSA-N 398.871 5.793 5 40 GKBB O=[N+]([O-])c1cccc(Br)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250486 SKKSFHAQMHFNJA-UHFFFAOYSA-N 398.081 5.447 5 40 GKBB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 830411 DOEJMKGIMBBDTH-UHFFFAOYSA-N 397.774 5.210 5 40 GKBB Cc1cccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)c1[N+](=O)[O-] 24877301 ABTPLHUOYVZKCO-OAQYLSRUSA-N 386.407 5.169 5 40 GKBB O=[N+]([O-])C[C@H](c1ccccc1Cl)c1c(-c2ccccc2)n(O)c2ccccc12 723811 JLCOEUDRHPWHTO-GOSISDBHSA-N 392.842 5.608 5 40 GKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 839018 SZDMHUBJMGLUQR-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB Cc1noc(C[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1[N+](=O)[O-] 19872762 PPXWCPRVCKPSFY-INIZCTEOSA-N 384.819 5.144 5 40 GKBB C[n+]1c(-c2ccc(Cl)cc2Cl)c2cc([N+](=O)[O-])ccc2c2ccccc21 1731076 XSKLSZOJLSTXOR-UHFFFAOYSA-N 384.242 5.700 5 40 GKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c(Cl)cccc1Cl 3512619 CJQPWMVJSBBGBN-UHFFFAOYSA-N 399.229 5.610 5 40 GKBB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc([N+](=O)[O-])c1 59960953 GYVFZMCQXWBUNR-UHFFFAOYSA-N 376.456 5.315 5 40 GKBB Cc1ccc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 95364761 QFFYKIUCLYRXRR-PTNGSMBKSA-N 382.441 5.308 5 40 GKBB CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223424821 SOIKJFSUFXMTOL-HMMYKYKNSA-N 380.488 5.466 5 40 GKBB Cc1cccc(OCc2ccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)c1 409182134 JKKGTDIGICWIDT-UHFFFAOYSA-N 376.412 5.043 5 40 GKBB CC(C)CCOc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 1752808 DIBPKQBRNBXYMW-UHFFFAOYSA-N 395.506 6.211 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 4866653 JJDDNVXMGRVWLU-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1c2ccccc2Oc2ccccc21 1516998 SBSMCHZKVXBPIF-UHFFFAOYSA-N 380.787 5.125 5 40 GKBB Cc1ccc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c2=O)c3c45)cc1 95470775 NSMFTSONBNGZLV-UHFFFAOYSA-N 393.467 5.618 5 40 GKBB CSc1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc1 4543852 OSWLNARRFLOPAO-UHFFFAOYSA-N 378.500 6.839 5 40 GKBB CC[C@H](C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 8344695 ODKFYUKSPJVOMW-ZDUSSCGKSA-N 396.472 5.181 5 40 GKBB O=[N+]([O-])c1ccccc1Cc1nc2ccccc2nc1-c1ccc(Cl)cc1 28294683 RSBWMHGCJXAAES-UHFFFAOYSA-N 375.815 5.449 5 40 GKBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 2645856 CETNLZPTFOGGGN-UHFFFAOYSA-N 380.425 5.118 5 40 GKBB Cc1ccccc1Nc1nc2ccc([N+](=O)[O-])cc2nc1Nc1ccccc1C 2751409 JQTQZDOJPKDGFC-UHFFFAOYSA-N 385.427 5.642 5 40 GKBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2ccc(Cl)cc2s1 6861748 SWEUOIGKKMJVCY-QHHAFSJGSA-N 394.239 5.163 5 40 GKBB O=C(Nc1cccc(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408911868 OTVLPMVJZDJDOT-DEDYPNTBSA-N 378.815 5.428 5 40 GKBB CCc1ccccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 409112907 CQHCGRKWIXTPMY-UHFFFAOYSA-N 396.874 6.002 5 40 GKBB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5177239 RIIZNUPWKMIXJW-UHFFFAOYSA-N 398.374 6.007 5 40 GKBB Clc1cccc(-n2c(-c3ccccc3)cn3c4ccc5ccccc5c4nc23)c1 17207086 KWFTYVAQXRTQDR-UHFFFAOYSA-N 393.877 6.752 5 40 GKBB Clc1ccc(CSc2ncnc3c2sc2nc4ccccc4cc23)cc1 4898282 FHAKCGWLWCUSFO-UHFFFAOYSA-N 393.924 6.338 5 40 GKBB Cc1cc(NS(=O)(=O)c2cccc3ccccc23)c2ccc3ccccc3c2n1 40384463 BZWVVQLOWXSEOO-UHFFFAOYSA-N 398.487 5.650 5 40 GKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 4545550 NGGISFSTYUQVBW-ACJLOTCBSA-N 399.516 5.626 5 40 GKBB O=[N+]([O-])c1ccc(-c2[nH]nc(-c3nc4ccccc4[nH]3)c2-c2ccccc2)cc1 6566913 NFKLWCCYPZCRHR-UHFFFAOYSA-N 381.395 5.195 5 40 GKBB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8132374 SHQTYFPXPTXNMF-MRXNPFEDSA-N 381.476 5.351 5 40 GKBB CC[C@@H](C)n1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2218245 GKFDXLPNOYBPOG-OAHLLOKOSA-N 392.503 5.493 5 40 GKBB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4893818 BQPZCUVUIOSFBS-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=C(Nc1nc(-c2ccccc2)cs1)c1cc2c(ccc3ccccc32)oc1=O 4548742 VXBDYEYDHHBPKT-UHFFFAOYSA-N 398.443 5.322 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)c(Br)c1 675339 BNHUWQVBKYPFSQ-UHFFFAOYSA-N 391.265 5.216 5 40 GKBB CC(C)Cn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2340648 YZGGDFVOJLCUSC-UHFFFAOYSA-N 392.503 5.178 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 5604967 GTYKUNNNPZBBHB-UHFFFAOYSA-N 399.427 5.465 5 40 GKBB Cc1ccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)c(C)c1 2205690 FQVOQBVVALOVHA-UHFFFAOYSA-N 378.409 5.109 5 40 GKBB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5119230 BEPDOJBMBAIUTJ-AWEZNQCLSA-N 395.846 5.354 5 40 GKBB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 9866820 OEIUNUWYYFPUCA-OLZOCXBDSA-N 376.840 5.168 5 40 GKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225537949 UPQKSVKOORGOSC-UHFFFAOYSA-N 396.487 5.533 5 40 GKBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)c1 408577372 ZCLDFHSJHIIXHT-FQEVSTJZSA-N 396.516 5.118 5 40 GKBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 848991 PUPXAGKLVQMPNZ-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=[N+]([O-])c1cccc([C@@H]2[C@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)c1 4899008 SYLCDKGPBDWDOE-JXBQVTFLSA-N 399.450 5.989 5 40 GKBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 5536466 JXLRYFXUSIGECM-UHFFFAOYSA-N 392.198 5.117 5 40 GKBB Cc1c(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 408629289 VLRBFGKXSQZCRU-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 4151126 PRLCHSCPBQXNJH-UHFFFAOYSA-N 392.198 5.117 5 40 GKBB Cc1c(NC(=O)CSCc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 8331026 GOVSFTJNYGOKPX-UHFFFAOYSA-N 385.272 5.082 5 40 GKBB COC(=O)CSc1cc([N+](=O)[O-])cc2sc(-c3ccccc3)c(Cl)c12 15084458 QTEKZHIFAPKEAJ-UHFFFAOYSA-N 393.873 5.395 5 40 GKBB O=[N+]([O-])c1ccc(-c2[nH]c(-c3ccc4ncccc4c3)nc2-c2ccccc2)cc1 704242 WRXHZAYHYIIURM-UHFFFAOYSA-N 392.418 5.867 5 40 GKBB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 946517 JLJMFVXOPAITKK-UHFFFAOYSA-N 387.486 5.330 5 40 GKBB Cc1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1 6331652 MVOSLZNORMYGIH-UHFFFAOYSA-N 393.468 5.105 5 40 GKBB CC(C)N(C(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1)C(C)C 104362081 IGAYDMLZLMCGNE-UHFFFAOYSA-N 378.501 5.648 5 40 GKBB CC(C)(C)c1ccc(C(=O)Nc2ccc3sc4ccccc4c(=O)c3c2)cc1 4693979 GEMPKQLFZBKNFI-UHFFFAOYSA-N 387.504 5.965 5 40 GKBB C[N+](C)(Cc1ccc(Br)cc1)C1c2ccccc2-c2ccccc21 1556889 ACPSIMPDQGLOPW-UHFFFAOYSA-N 379.321 5.796 5 40 GKBB Cc1c(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cccc1[N+](=O)[O-] 5532842 WXSWKPXRYVLGEW-UHFFFAOYSA-N 389.436 5.432 5 40 GKBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 408555758 IGSNPHRYCVGUSC-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1Nc1ccccc1OCC 1768296 HHGJPZZUBYBJAU-UHFFFAOYSA-N 386.451 5.707 5 40 GKBB Cc1ccc(NP(=O)(Nc2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 1870325 SKZYBVICRJONCO-UHFFFAOYSA-N 381.372 5.254 5 40 GKBB C[N+](C)(C)Cc1c(CC(O)(c2ccccc2)c2ccccc2)ccc2ccccc12 1662376 WVPUNALSXIDSJY-UHFFFAOYSA-N 396.554 5.525 5 40 GKBB O=c1ccc2c(COc3ccc(Cl)cc3Cl)c3ccc(O)cc3oc-2c1 4582279 ROPGBEHIXZPYTH-UHFFFAOYSA-N 387.218 5.489 5 40 GKBB C[C@@]12CC[C@H]3c4ccc(Cc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4946138 QABYAMHXIHGLLY-KELBGUDLSA-N 389.495 5.611 5 40 GKBB CC[N+](C)(CC)CCCN[C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl 31939014 XVNVYTJFSCJBDC-HNNXBMFYSA-N 387.202 5.217 5 40 GKBB CN(Cc1c(F)cccc1Cl)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 7779767 RDTOKDHSXVZFTN-UHFFFAOYSA-N 397.155 5.696 5 40 GKBB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 408923217 GJIDCPATGXXYLZ-UHFFFAOYSA-N 378.453 5.448 5 40 GKBB CCc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2249418 QYGSKLUCQWUIOU-UHFFFAOYSA-N 395.422 5.106 5 40 GKBB O=c1cc(CN2CCC(Cc3ccccc3)CC2)c2c(ccc3ccccc32)o1 3406644 IGRUZAHUIGZNRZ-UHFFFAOYSA-N 383.491 5.401 5 40 GKBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3N=C(c3cc(Cl)ccc3O)C2)cc1 1304164 AETZLKQZZKUEGA-UHFFFAOYSA-N 391.814 5.599 5 40 GKBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc(O)c3c(C)c(C)sc3n2)o1 408735788 XSKIWUOUOYIQEQ-UHFFFAOYSA-N 381.413 5.157 5 40 GKBB CCCN(CCC)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1 1729647 HJLALIBBFBDMMP-UHFFFAOYSA-N 398.344 6.060 5 40 GKBB Cn1c(-c2ccccc2)c([C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)c2ccccc21 2708420 GAFQWOQPVLRJCK-FQEVSTJZSA-N 390.870 5.907 5 40 GKBB CCc1ccc(Nc2nnc(Sc3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 3349366 JMXAKHUWSTYEQE-UHFFFAOYSA-N 392.893 5.557 5 40 GKBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 408610720 RVMXNWQCUMFJSK-UHFFFAOYSA-N 398.846 5.448 5 40 GKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 842775 GSJSCBFVHNABFS-UHFFFAOYSA-N 376.290 5.126 5 40 GKBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc2c1-c1ccccc1C2 1717013 WMXXOJAQWJEPDW-UHFFFAOYSA-N 387.438 5.075 5 40 GKBB Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cccc1[N+](=O)[O-] 3325883 XDMGOFLLBGCMPI-UHFFFAOYSA-N 394.814 5.040 5 40 GKBB O=C(Nc1ccc(Cl)cc1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] 1737355 XEYNDINQFLTEIQ-UHFFFAOYSA-N 396.013 5.819 5 40 GKBB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1 17081782 FAJUVCUOVAALHC-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 408629021 IDRMSSUVYXNGPH-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl 5603395 NRGCHNFEWBOPCS-UHFFFAOYSA-N 382.803 5.080 5 40 GKBB COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1OC 7848083 ZVFDIVHHTVCEBF-UHFFFAOYSA-N 386.407 5.494 5 40 GKBB C(=C/c1c2ccccc2cc2ccccc12)\c1c2ccccc2cc2ccccc12 59366655 YNYVBGMRQZNKNR-ISLYRVAYSA-N 380.490 8.470 5 40 GKBB Cc1ccccc1C(=O)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl 72229122 BESGUJVXQCIFAB-UHFFFAOYSA-N 387.867 5.554 5 40 GKBB O=[N+]([O-])/C=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 408768168 CLZFMLHLYQXXIG-AATRIKPKSA-N 388.685 5.307 5 40 GKBB Cc1cc(-c2cc3c(cc2Br)OCO3)nc2ccc3ccccc3c12 4624217 JOOHCQRFMUARLP-UHFFFAOYSA-N 392.252 5.855 5 40 GKBB CCN(c1ccccc1)c1nc(C)nc(N(CC)c2ccccc2)c1[N+](=O)[O-] 5250256 VJRAXVOZDPLTND-UHFFFAOYSA-N 377.448 5.009 5 40 GKBB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc2cccnc2c2cccnc12 408976192 QHECSMMRRUJAKO-UHFFFAOYSA-N 382.345 5.446 5 40 GKBB Brc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1 1464269 TURHCSZHUJNQHA-UHFFFAOYSA-N 388.268 5.549 5 40 GKBB Cc1c(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)c2ccccc2n1C 2151657 GCESCSHVGCTLDA-UHFFFAOYSA-N 397.430 5.008 5 40 GKBB biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(CSc2ccccc2)cc1 408907164 LTSHMDJMQYLIDL-SDNWHVSQSA-N 390.464 5.539 5 40 GKBB O=[N+]([O-])C[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc12 4086511 CHJFRJUWKRNQIK-LJQANCHMSA-N 376.843 5.897 5 40 GKBB Cc1cc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cc([N+](=O)[O-])c1C 409108874 YOSZNESAFXYHOZ-JAIQZWGSSA-N 392.436 5.557 5 40 GKBB O=[N+]([O-])c1cccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)c1 10452598 HVPHIAGWFXRQPI-UHFFFAOYSA-N 375.812 5.137 5 40 GKBB O=C(Nc1ccccc1OCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 40090791 GALKYTUBSUXHCJ-UHFFFAOYSA-N 396.830 5.122 5 40 GKBB CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Oc2ccccc2)cc1 58427099 HAMLITSZLUJWQZ-UHFFFAOYSA-N 387.395 5.145 5 40 GKBB Cc1noc(/C=C\c2cccc(OCc3cccc4ccccc34)c2)c1[N+](=O)[O-] 408541069 BGEDTZKAELEPSE-SEYXRHQNSA-N 386.407 5.794 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 409001729 QZVSWUXTYPCXOH-CQTZQYROSA-N 388.389 5.910 5 40 GKBB Cc1cccc(Oc2cc(NC(=O)c3cccc(Cl)c3)cc([N+](=O)[O-])c2)c1 710879 ITPHJCPXCLOFFB-UHFFFAOYSA-N 382.803 5.601 5 40 GKBB O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409090587 RLZUEROSZHEGFR-ZDLGFXPLSA-N 398.827 5.594 5 40 GKBB CCCCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 9117754 QEDXVJLOHVWEHT-UHFFFAOYSA-N 384.479 5.136 5 40 GKBB Cc1noc(C[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)c1[N+](=O)[O-] 19872752 PNQOPBYCWPUEIW-MRXNPFEDSA-N 384.819 5.144 5 40 GKBB CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1C 58638324 ZNJORHWFSJSSOK-UHFFFAOYSA-N 398.406 5.067 5 40 GKBB CCOc1ccc([C@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OCC 1070480 BZZSKRSKMWRVNT-HSZRJFAPSA-N 391.423 5.389 5 40 GKBB CC(C)(C)C(=O)Oc1ccc2ccccc2c1Sc1ccccc1[N+](=O)[O-] 3205276 AXRDRFAJTBCIAN-UHFFFAOYSA-N 381.453 5.851 5 40 GKBB CC[N+](CC)(CC)CCCCCC[N+](CC)(CC)Cc1cc2ccccc2o1 4908882 IHPHULZJXCQBAN-UHFFFAOYSA-N 388.640 6.226 5 40 GKBB Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c1[N+](=O)[O-] 24877294 ABTPLHUOYVZKCO-NRFANRHFSA-N 386.407 5.169 5 40 GKBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F 408557091 MAWRRLFUSDOGKA-UHFFFAOYSA-N 396.418 5.324 5 40 GKBB c1ccc2cc(NCSCc3nc4ccccc4c4ccccc34)ccc2c1 8306495 DBSBDKNWOSPNSL-UHFFFAOYSA-N 380.516 6.844 5 40 GKBB CC1(C)COC(CCCCC(=O)c2c3ccccc3cc3ccccc23)OC1 43214508 LPKOHNKSOYERCS-UHFFFAOYSA-N 376.496 6.135 5 40 GKBB Cc1ccc(C(C)C)c(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 59475462 DTSWYQVXIKBXSY-UHFFFAOYSA-N 382.382 5.536 5 40 GKBB CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 302919627 GAQDWFGWMGGQGK-UHFFFAOYSA-N 394.378 5.043 5 40 GKBB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] 3286162 RXJPODRYAMSIAV-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 4726078 YWTODPAVIRBVQR-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SCc1ccccc1 7684740 AKWNJDSFNBCBEE-UHFFFAOYSA-N 394.452 5.148 5 40 GKBB COc1ccc(OCCn2c3ccc(C)cc3c3nc4ccccc4nc32)cc1 5234830 UYURUPXNGPDOBV-UHFFFAOYSA-N 383.451 5.134 5 40 GKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc(Br)ccc1Cl 72228642 BLQDHMMEVLNBDG-UHFFFAOYSA-N 397.656 5.134 5 40 GKBB Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)oc2cc1C 678127 OOYHMDTVOLGTIZ-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1 4659228 JUZMXMGLYPBTBJ-INIZCTEOSA-N 376.456 5.689 5 40 GKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3C)nc2c1 830442 KMZANNAQIQIXTQ-UHFFFAOYSA-N 391.383 5.174 5 40 GKBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cc2ccccc2nc1Cl 57369390 QZAFAYTWCGVEEU-UHFFFAOYSA-N 376.243 5.082 5 40 GKBB CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)c(C)c1 408823485 DOZCWIXLPJSHTQ-UHFFFAOYSA-N 395.484 5.540 5 40 GKBB O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 1753065 DMDLAIQDCHINAR-UHFFFAOYSA-N 382.807 5.636 5 40 GKBB COc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)o2)c([N+](=O)[O-])c1 5034553 GLCJJHBPTNYNPD-UHFFFAOYSA-N 380.400 5.239 5 40 GKBB Cc1ccc(Nc2ncc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1 4618738 MQOVHILMNVIQMA-UHFFFAOYSA-N 377.425 6.030 5 40 GKBB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 9866826 OEIUNUWYYFPUCA-STQMWFEESA-N 376.840 5.168 5 40 GKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1Cl 16346829 FJUURJCQVYEXHA-PKNBQFBNSA-N 382.803 5.469 5 40 GKBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 851923 UADCXDLXNYNLJF-UHFFFAOYSA-N 376.290 5.126 5 40 GKBB CCCCN(CCCC)CC(=O)c1ccc2cc(Cl)c3ccccc3c2c1 1676208 HVZKFAGXNWGKIN-UHFFFAOYSA-N 381.947 6.731 5 40 GKBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2ccccc2c1 6865049 DDDQDKKBDXCLLZ-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Oc1ccccc1 14413105 QEDTYBFDWOZNLL-FMIVXFBMSA-N 394.814 5.692 5 40 GKBB C[C@@]1(c2ccccc2)CCN2CC[C@](C)(c3ccccc3)c3ccc([N+](=O)[O-])c1c32 59475077 UTXMBGTUNZEMLI-FTJBHMTQSA-N 398.506 5.821 5 40 GKBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225507727 JSLWPBJTJLWCGO-UHFFFAOYSA-N 396.487 5.533 5 40 GKBB CC(C)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408906925 KPYSZCXQXBIHNC-XQNSMLJCSA-N 386.451 5.898 5 40 GKBB O=[N+]([O-])c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)c1 5684664 BYLAILFZUVIZPA-NRFANRHFSA-N 377.831 5.604 5 40 GKBB O=C(Nc1ccccc1C1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6615617 UNDHZYREZAJUAL-UHFFFAOYSA-N 379.460 5.105 5 40 GKBB COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 409135025 QTLNOCSKAYFXSV-UHFFFAOYSA-N 392.455 5.411 5 40 GKBB CCCCCCN(CCCCCC)C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4628477 NXFHYBXAQGCVSN-UHFFFAOYSA-N 379.457 5.106 5 40 GKBB O=c1c2ccccc2oc2cc(OCc3ccc(Cl)c(Cl)c3)cc(O)c12 8519989 IDIVRFGIJMXLLA-UHFFFAOYSA-N 387.218 5.538 5 40 GKBB C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F 32855847 ARNJAFMURCOAQX-SNVBAGLBSA-N 380.782 5.209 5 40 GKBB COc1ccc(Nc2ccc(Nc3ccc(C(C)=O)cc3[N+](=O)[O-])cc2)cc1 225208000 WXTUBIRNEAKJKX-UHFFFAOYSA-N 377.400 5.293 5 40 GKBB CCCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 408619493 CLBNBNBVSYLIHC-UHFFFAOYSA-N 397.456 5.150 5 40 GKBB CCN(CC)[C@@H](C)[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1676789 SKMUISXCBIYNJN-LHSJRXKWSA-N 386.333 5.519 5 40 GKBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl 72229240 WLMSHZKYCSJBRN-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB CC(C)(C[C@@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2)[N+](C)(C)Cc1ccccc1 217978910 DCAMMSCJGRCAJR-VJTSUQJLSA-N 382.612 6.260 5 40 GKBB biogenic Cc1ccc(C(=O)[C@@H](C)OC(=O)c2c3ccccc3cc3ccccc23)cc1C 2635251 OXMKUYJALBZLNL-GOSISDBHSA-N 382.459 6.038 5 40 GKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2F)c(Cl)cc1[N+](=O)[O-] 72229245 LSNSCGZXPLBAQR-LBPRGKRZSA-N 391.830 5.018 5 40 GKBB Cc1ccc(Oc2nc(C)nc3scc(-c4cccs4)c23)c([N+](=O)[O-])n1 15163755 AXHAVNJHPTTZSJ-UHFFFAOYSA-N 384.442 5.132 5 40 GKBB C[C@H](NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 32795004 YDVFPUDLTBIWAD-STQMWFEESA-N 395.381 5.077 5 40 GKBB O=c1c2ccc3sc4ccccc4c4ccc(c(=O)n1-c1ccc(O)cc1)c2c34 95470778 BQHAWRYUHJQHJD-UHFFFAOYSA-N 395.439 5.015 5 40 GKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408603899 CANXPGXXGIFPCD-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2c(ccc3ccccc32)oc1=O 845979 DWCDHMYCCRNTJW-UHFFFAOYSA-N 384.218 5.505 5 40 GKBB O=[N+]([O-])C[C@@H](c1c(F)cccc1Cl)c1c(-c2ccccc2)cc2ccccn12 3205728 DWJRLIHWTWYNQN-SFHVURJKSA-N 394.833 5.807 5 40 GKBB O=C(O)c1cc(-c2ccc(F)c(Br)c2)nc2ccc3ccccc3c12 6942425 CYVYSKPPYRIDER-UHFFFAOYSA-N 396.215 5.655 5 40 GKBB CCc1cccc(C)c1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 22391030 QVLVSZIASFAVMK-UHFFFAOYSA-N 384.819 5.631 5 40 GKBB CCN(CC)c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-] 72229273 UCEROCCYRACGIV-UHFFFAOYSA-N 382.247 5.000 5 40 GKBB O=c1c2ccc(Cl)cc2nc2cc(-c3ccccc3)c(-c3ccccc3)nn12 4718097 BFUYXUDPUVSFHM-UHFFFAOYSA-N 383.838 5.230 5 40 GKBB Cc1cc2c(cc1C)NC1=C(O)[C@@H](c3c4ccccc4cc4ccccc34)OC1=N2 103904800 GMMAJESXCWPQIU-RUZDIDTESA-N 392.458 6.606 5 40 GKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] 2807127 LKOOFNNHPMHAQG-UHFFFAOYSA-N 379.121 5.173 5 40 GKBB CC(C)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9504038 JGEAFRLMOWHHDJ-UONOGXRCSA-N 389.883 5.049 5 40 GKBB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc2nc3ccccc3nc12 12618942 KCEQTEYWDNUBRH-UHFFFAOYSA-N 382.448 5.159 5 40 GKBB O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 783167 RRNHSCGHVCZZII-UHFFFAOYSA-N 385.832 5.047 5 40 GKBB aggregator Cc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1Cl 2113339 WQDUXRRSSAHUGT-UHFFFAOYSA-N 377.827 5.265 5 40 GKBB biogenic O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c3cc(Cl)cc(Cl)c3n2)cc1 3041985 SBTRPKJSWLCFLE-UHFFFAOYSA-N 396.233 6.179 5 40 GKBB Cc1cc(Oc2ccccc2)c2c(ccc3nc(C)cc(Oc4ccccc4)c32)n1 1655996 GVMGSIONBDYVGY-UHFFFAOYSA-N 392.458 6.984 5 40 GKBB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 248318873 PIETTXKDJKJUJR-ZWAUILIDSA-N 392.455 5.068 5 40 GKBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 4776884 UMQDCQUODSONQA-UHFFFAOYSA-N 397.239 5.377 5 40 GKBB CCC(=O)Oc1cn(-c2cccc(C)c2)c2nc(CC)n3c4ccccc4nc3c12 5461779 GIEDZBDMRPFUNW-UHFFFAOYSA-N 398.466 5.013 5 40 GKBB Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])c3c[nH]c4ccccc34)cc2)cc1 408575476 WIKFEVBEVOKYLB-QHCPKHFHSA-N 386.451 5.464 5 40 GKBB CC(C)(c1ccccc1)c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2070137 ZNFDKXHOMVDYPL-UHFFFAOYSA-N 395.842 5.793 5 40 GKBB O=[N+]([O-])c1cccc(-c2ccc(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)c1 2260731 MPJGLQQKUGSXJP-UHFFFAOYSA-N 390.351 5.614 5 40 GKBB biogenic O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCCCCC1 408995749 NELDFCOYMCLADR-UHFFFAOYSA-N 376.485 5.406 5 40 GKBB CCc1cccc(C)c1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 3314936 YJGQLEAHHVRQBX-CJLVFECKSA-N 386.451 5.645 5 40 GKBB CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4867422 AOVZFCWTYKOTDC-UHFFFAOYSA-N 390.443 5.785 5 40 GKBB CN(C(=O)Nc1cc2ccncc2c2ncccc12)c1ccc2ccccc2c1 408977240 UZXLJWIECMVHET-UHFFFAOYSA-N 378.435 5.605 5 40 GKBB O=[N+]([O-])c1ccc2nc(Nc3ccccc3Cl)nc(-c3ccccc3)c2c1 3330916 KVAFMNXMJHLTLT-UHFFFAOYSA-N 376.803 5.602 5 40 GKBB Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCOC(=O)c1ccccc1 1635676 PPANGFXMJDUHNG-UHFFFAOYSA-N 394.474 5.817 5 40 GKBB in-vitro CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 21595792 YNAPWRFNCDBCBN-UHFFFAOYSA-N 390.867 5.342 5 40 GKBB CCCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 72229470 TYOFECIBEIRJOG-UHFFFAOYSA-N 383.231 5.333 5 40 GKBB Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 16955827 ZDAGDLKZZMJKBW-GOSISDBHSA-N 386.477 5.029 5 40 GKBB Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(O)CC(C)(C)CC1=N2 102535132 IKAQHXDGETYTEE-OAQYLSRUSA-N 377.444 5.775 5 40 GKBB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)c1 5033227 CREXRNPZTFHHRP-UHFFFAOYSA-N 398.802 5.272 5 40 GKBB CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nc(-c2ccc(C)cc2)cs1 20178541 WMEJXUMBQPFPLS-UHFFFAOYSA-N 395.484 5.392 5 40 GKBB O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 58902749 PWCCSUTVKPRUJZ-UHFFFAOYSA-N 380.014 5.461 5 40 GKBB CCCC[C@H](Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)OCC 2959688 JSIXMBMTHMSCNJ-IBGZPJMESA-N 393.512 5.250 5 40 GKBB O=[N+]([O-])C[C@H](c1c(F)cccc1Cl)c1c(-c2ccccc2)cc2ccccn12 3205731 DWJRLIHWTWYNQN-GOSISDBHSA-N 394.833 5.807 5 40 GKBB O=c1[nH]c2ccc(-c3ccc(F)cc3)cc2c2c1sc1cc3c(cc12)OCO3 11363968 MYWUWBKDNJISDE-UHFFFAOYSA-N 389.407 5.431 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCc1cccc2cccnc12 12910568 CIAHDLYOBKJYHC-UHFFFAOYSA-N 395.768 5.470 5 40 GKBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2)cc1 408603041 AJWHMXOBYCDICM-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n([C@@H](C)CC)c(C)nc21 2377148 TXTNIXZPLLWKHS-HNNXBMFYSA-N 391.519 5.154 5 40 GKBB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)cc1 5033241 IPUAJYAHTOVNRP-UHFFFAOYSA-N 398.802 5.272 5 40 GKBB O=c1cc(COc2ccc([N+](=O)[O-])cc2Cl)c2c(ccc3ccccc32)o1 6062251 CDDNZIACVMBTFE-UHFFFAOYSA-N 381.771 5.087 5 40 GKBB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 10372888 BGCCNDPADTYFPA-UHFFFAOYSA-N 398.462 5.617 5 40 GKBB CCOc1ccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 409117173 WTCIRSQQAKCOGI-UHFFFAOYSA-N 378.428 5.185 5 40 GKBB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 4545552 NGGISFSTYUQVBW-FZKQIMNGSA-N 399.516 5.626 5 40 GKBB c1ccc2cc(NCCSCc3nc4ccccc4c4ccccc34)ccc2c1 15922225 ZKKKAPSCTDAMQQ-UHFFFAOYSA-N 394.543 6.887 5 40 GKBB Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 22399104 XILAEACSHVGILK-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB S=C(NCc1ccco1)Nc1ccc2sc3nc4ccccc4nc3c2c1 33607469 AJDYRTIUBZGFFS-UHFFFAOYSA-N 390.493 5.077 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CSc2ccccc2)cc1 217996920 UXNZWDSJAFQEKB-UHFFFAOYSA-N 398.871 5.793 5 40 GKBB Cc1noc(/C=C/c2ccccc2OCc2cccc3ccccc23)c1[N+](=O)[O-] 408543230 NXISLMJLKLKTNW-BUHFOSPRSA-N 386.407 5.794 5 40 GKBB CCc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 409110707 XZWYPMIZZUCMDM-UHFFFAOYSA-N 396.874 6.002 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 409337012 SIZAFFGAILAMNS-UPOIRKFLSA-N 399.834 5.453 5 40 GKBB O=C(c1ccccc1)[C@@H](c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 3844552 BQGRLOVNVQYFMI-IBGZPJMESA-N 396.786 5.171 5 40 GKBB biogenic COc1ccc(-c2csc3ncnc(Oc4ccccc4[N+](=O)[O-])c23)cc1 3443087 XAHYWTREWFDGBU-UHFFFAOYSA-N 379.397 5.067 5 40 GKBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccccc3)cc2)c(Cl)c1 16493136 HDCKGZCLMZPMCQ-UHFFFAOYSA-N 381.863 5.117 5 40 GKBB O=[N+]([O-])c1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1 67321946 KJDFGILBJVMGOZ-UHFFFAOYSA-N 376.235 5.224 5 40 GKBB Cc1cccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C 409110202 UFEQILISQFTFOA-UHFFFAOYSA-N 393.399 5.524 5 40 GKBB c1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc3ccc4ncccc4c23)cc1 850327 QXJVTTFXSJVTGG-UHFFFAOYSA-N 376.415 5.846 5 40 GKBB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 3313158 CIFOBDFDGJPQLO-UHFFFAOYSA-N 394.427 5.920 5 40 GKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 6595631 YOXVNLJXQWKQKO-HXUWFJFHSA-N 395.798 5.029 5 40 GKBB Nc1nc2c(sc3nc(-c4ccccc4)cc(C(F)(F)F)c32)c2ccccc12 19832375 DCVIRCJVXPWECV-UHFFFAOYSA-N 395.409 6.266 5 40 GKBB O=[N+]([O-])c1cccc([C@H]2C[C@@H](c3ccccc3F)n3c(nc4ccccc43)N2)c1 2918752 RXNDBGJUJJPBNN-CTNGQTDRSA-N 388.402 5.230 5 40 GKBB Cc1ccc(C(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1C 4695680 SSTZHQIWUPIYSO-UHFFFAOYSA-N 388.423 5.003 5 40 GKBB C[C@H](Oc1cccc2c1ccc1c3c(c(=O)oc12)CCCC3)C(=O)c1ccccc1 11867590 ZMQPXLAZHGXILN-INIZCTEOSA-N 398.458 5.475 5 40 GKBB CCC1(CC)O[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 1089653 REWALISLSIOGMX-NRFANRHFSA-N 377.444 5.542 5 40 GKBB Cc1cccc(-c2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3cccc(C)c3)c2C)c1 17081284 XGTREXGCQNQNGM-UHFFFAOYSA-N 397.478 6.099 5 40 GKBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(Cl)ccc1O 409178981 LYPSRYIYPUWISN-UHFFFAOYSA-N 399.786 5.103 5 40 GKBB COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](c2ccccc2)[N+](=O)[O-])cc1 1715100 BQYGWJZQQPXFAJ-FYYLOGMGSA-N 375.424 5.070 5 40 GKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(C(F)(F)F)cc1)C3 2121044 OWYMJVVOOIAAFF-UHFFFAOYSA-N 397.352 5.322 5 40 GKBB biogenic Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)sc2c1 4031524 DKWLEIWLTJIRQW-UHFFFAOYSA-N 389.436 5.432 5 40 GKBB Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 5235446 MYVJPTQHKVKORN-ISKFKSNPSA-N 399.450 5.454 5 40 GKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 32795003 YDVFPUDLTBIWAD-OLZOCXBDSA-N 395.381 5.077 5 40 GKBB CC(C)c1ccc(/C=C/C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 1935273 MIEMTYPHIWTKEE-LFYBBSHMSA-N 393.468 5.494 5 40 GKBB COc1cc2c(cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)oc1ccccc12 3567017 CTOLHKAYENOTGD-UHFFFAOYSA-N 396.786 5.409 5 40 GKBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl 72229436 WZROOXLFUWCHBH-UHFFFAOYSA-N 380.014 5.461 5 40 GKBB Brc1cccc(-c2nc3ccc4ccccc4c3c3c2CCCC3)c1 2270672 DAACHIVLDDNIMB-UHFFFAOYSA-N 388.308 6.696 5 40 GKBB Cc1c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cccc1[N+](=O)[O-] 13687757 ZAWYIZDCNUGMPZ-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N1c2ccccc2Sc2ccccc21 13717213 JRIUMQVUTCHJMD-UHFFFAOYSA-N 377.425 5.738 5 40 GKBB CN(C(=S)Nc1cc2cccnc2c2ncccc12)c1ccc2ccccc2c1 409322101 KMDPOGAPADRING-UHFFFAOYSA-N 394.503 5.769 5 40 GKBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(-c2ccccc2)cc1 4678641 JAENWLMCWLAMPN-UHFFFAOYSA-N 384.439 5.274 5 40 GKBB Cc1cc2c(cc1C)NC1=C(O)[C@H](c3c4ccccc4cc4ccccc34)OC1=N2 103904797 GMMAJESXCWPQIU-VWLOTQADSA-N 392.458 6.606 5 40 GKBB Cc1ccc(-c2csc3ncnc(Oc4ccc([N+](=O)[O-])cc4Cl)c23)cc1 3370148 ILCDKWOXSYLOES-UHFFFAOYSA-N 397.843 6.021 5 40 GKBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 4592455 OLGBNTUFWNAMRI-UHFFFAOYSA-N 379.121 5.173 5 40 GKBB CCCn1c(Sc2cc3c(ccc4ccccc43)oc2=O)nc2ccccc21 15910197 DAENFSGBYODBJV-UHFFFAOYSA-N 386.476 5.857 5 40 GKBB CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 44088024 FCZDVWYGJWPSNH-UHFFFAOYSA-N 395.362 5.068 5 40 GKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(OCc2ccccc2)c1 408622679 QMZQJXXDIPZOFQ-UHFFFAOYSA-N 396.830 5.388 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 4614011 OFVQEEAFEUVLQP-IBGZPJMESA-N 398.871 5.720 5 40 GKBB O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3Nc3n[nH]c(-c4ccccc4)c32)cc1 5827211 YSEONLFNRBXEKN-HXUWFJFHSA-N 383.411 5.243 5 40 GKBB CCc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 409117834 OOOMDNYANXOLEL-UHFFFAOYSA-N 392.455 5.357 5 40 GKBB O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(Cl)cc1 868205 WIUKFHIXYFBDBO-UHFFFAOYSA-N 377.787 5.651 5 40 GKBB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2708469 HFVLOHGJGZNURS-QFIPXVFZSA-N 384.391 5.089 5 40 GKBB COc1ccc(Br)cc1/C=C/c1nc2ccc([N+](=O)[O-])cc2s1 6230662 CTIIYPPYRJQRCO-FARCUNLSSA-N 391.246 5.146 5 40 GKBB Cc1cccc(C)c1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 1401446 LNRGHTGTPUYTQU-UHFFFAOYSA-N 386.404 5.457 5 40 GKBB CCOc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 408925818 QPVKKSCZQAIECF-CJLVFECKSA-N 388.423 5.173 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@H]21 2124503 ABSHAPYWJDXNFP-MBWGTIHESA-N 382.612 5.829 5 40 GKBB Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC(C)C 225507852 ZUWUYWKJGMDMJY-UHFFFAOYSA-N 396.487 5.389 5 40 GKBB Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 7686079 JIQUPPVWLOLEPO-HXUWFJFHSA-N 380.831 5.076 5 40 GKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 6595824 DMCWTWNOOYRUDW-FQEVSTJZSA-N 395.798 5.029 5 40 GKBB Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)c2C)cc1 17078291 LXXTUXQAJQHOBJ-UHFFFAOYSA-N 383.451 6.040 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccc(OCc2ccc(F)cc2)cc1)c1c[nH]c2ccccc12 408569588 JRQANSWKYAKRRF-QFIPXVFZSA-N 390.414 5.295 5 40 GKBB Cc1cc(C)cc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2223653 OQRKBZDLYOYLJF-UHFFFAOYSA-N 395.422 5.161 5 40 GKBB CCCCOC(=O)c1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)cc1 107849291 NIYLUEOGLJBNEG-BENRWUELSA-N 396.399 5.279 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1SCc1ccccc1 7684789 GMSOIUSQXGOTTM-UHFFFAOYSA-N 398.871 5.793 5 40 GKBB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 15203586 SCJQESKUHRFELM-SFHVURJKSA-N 388.851 5.014 5 40 GKBB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1[N+](=O)[O-] 72229356 NQDZYERXQKCTPT-LBPRGKRZSA-N 391.830 5.018 5 40 GKBB COc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C(C)C 223271124 RKUZPPFAEXTYCD-ZDUSSCGKSA-N 390.867 5.180 5 40 GKBB c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1 1731622 DWSKWYAKBATHET-UHFFFAOYSA-N 380.490 8.480 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 8040521 OBDVCHBXHYJJIH-UHFFFAOYSA-N 398.249 5.967 5 40 GKBB COC(=O)c1ccc(/C=C\c2ccc3ccc4ccc5ccccc5c4c3c2)cc1 13409320 UKIOGVOZSWCBPE-SREVYHEPSA-N 388.466 7.103 5 40 GKBB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 59241276 NPMOEFHSKUUGHL-UHFFFAOYSA-N 384.844 5.652 5 40 GKBB O=[N+]([O-])C[C@H](c1ccc(OCc2cccc(F)c2)cc1)c1c[nH]c2ccccc12 408570703 LXYGTMDKKFJDTC-JOCHJYFZSA-N 390.414 5.295 5 40 GKBB O=C(Nc1cccc2ccccc12)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408618917 IHZSRGDWTNHMPH-UHFFFAOYSA-N 392.798 5.914 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc3ccccc13)N2 408997766 SUHCWRDXYDFBEI-AFESJLNVSA-N 392.458 6.219 5 40 GKBB CCOc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc(Cl)c1O 6052871 JJZRHQCDGBUBDI-ZZXKWVIFSA-N 376.821 5.133 5 40 GKBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 72229352 JCCPBWIBGRQEQN-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB O=[N+]([O-])c1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 2912208 OFTWFUOTLWHPCO-UHFFFAOYSA-N 389.436 6.254 5 40 GKBB Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 4678172 VXXCKZJXVSYQRC-UHFFFAOYSA-N 387.226 5.222 5 40 GKBB Cc1c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 8266632 QOKOBIQDYHSLRY-UHFFFAOYSA-N 385.272 5.082 5 40 GKBB CC(C)c1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 95351095 XWOVLKRZWHCRAH-PTNGSMBKSA-N 396.468 5.733 5 40 GKBB Cc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)cc1 5694440 MVKMKOLRGXDGHJ-UHFFFAOYSA-N 395.846 5.421 5 40 GKBB COc1ccc(Br)cc1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1 5930970 KMLFGBPRMLTRNG-RMKNXTFCSA-N 385.217 5.085 5 40 GKBB CC(C)CCOc1ccccc1Cn1c2ccccc2c2nc3ccccc3nc21 2668005 VIYNAAABWATTPK-UHFFFAOYSA-N 395.506 6.211 5 40 GKBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Oc1ccccc1 4069999 NCJCCXZBSZECMN-UHFFFAOYSA-N 391.408 5.249 5 40 GKBB CC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 864920 SRMFHDVVABUSKA-UHFFFAOYSA-N 389.407 5.438 5 40 GKBB aggregator O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccc(F)cc4)n3)o2)cc1 1454214 PSJGPDGSIBOMCN-UHFFFAOYSA-N 381.388 5.861 5 40 GKBB CCN(CC)[C@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1676788 SKMUISXCBIYNJN-SZNDQCEHSA-N 386.333 5.519 5 40 GKBB O=C(/C=C/c1cccc(Cl)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1927140 SPGKZHSRURNHPP-RUDMXATFSA-N 385.832 5.024 5 40 GKBB c1ccc(-c2sc3nc4c5ccccc5nc-4nn3c2-c2ccccc2)cc1 2051732 FBVNRGZQEFJEAM-UHFFFAOYSA-N 378.460 5.778 5 40 GKBB CCOc1ccccc1Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 5516232 IEVUFQFYEAQZBC-UHFFFAOYSA-N 383.451 5.193 5 40 GKBB Cc1noc(C[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1[N+](=O)[O-] 19872736 MQPORBWGDDOKSJ-HNNXBMFYSA-N 384.819 5.144 5 40 GKBB CN(C(=O)Nc1cc2ncccc2c2cccnc12)c1ccc2ccccc2c1 408974894 IDBKGOBBWRAXFR-UHFFFAOYSA-N 378.435 5.605 5 40 GKBB Cc1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)c([N+](=O)[O-])c1 409101386 BNPSOJYYCNDYAX-ODLFYWEKSA-N 378.409 5.249 5 40 GKBB O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl 11613896 SGNUKWKOYSKVCN-UHFFFAOYSA-N 383.787 5.046 5 40 GKBB COc1ccc(Cl)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595829 ZTQACQYQTMSKNJ-UHFFFAOYSA-N 397.239 5.377 5 40 GKBB O=c1c2cc3ccccc3nc2[nH]c2c1c(-c1ccccc1)nn2-c1ccccc1 5450653 PVGAASPHCHCTPI-UHFFFAOYSA-N 388.430 5.082 5 40 GKBB Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1045088 OCVFYWNXMPQBJZ-OAQYLSRUSA-N 378.453 5.283 5 40 GKBB CCCCN(CCCC)CCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4726959 PTZKSMLINAJMOO-UHFFFAOYSA-N 398.503 5.259 5 40 GKBB O=[N+]([O-])/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 33803835 HRUQSEKLKQQKRG-ZHACJKMWSA-N 384.229 5.429 5 40 GKBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1 408542196 HZBSPGFLESYRNK-BENRWUELSA-N 380.400 5.039 5 40 GKBB COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)c(C)c1 1682069 GMGDWNYWMLZUEF-UHFFFAOYSA-N 396.446 5.749 5 40 GKBB CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(C)(C)C)c1 3197221 PUTIPOXKOKIISQ-UHFFFAOYSA-N 388.895 6.096 5 40 GKBB CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3n(-c3ccccc3)c2c1 4366947 RRPZIPGTVAQGNK-UHFFFAOYSA-N 393.490 5.490 5 40 GKBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 5670551 NEBOVCJHINGZMF-UHFFFAOYSA-N 380.014 5.461 5 40 GKBB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] 8113944 YBZZVRPJDWLSHK-UHFFFAOYSA-N 392.436 5.459 5 40 GKBB O=C(Nc1ccccc1-c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9641910 GOTREILCVJJJDJ-UHFFFAOYSA-N 384.391 5.774 5 40 GKBB O=C(Nc1cccc(Br)c1)Nc1cc2cccnc2c2cccnc12 408975841 OCIPYVIHBBVLAY-UHFFFAOYSA-N 393.244 5.190 5 40 GKBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(C)c3ccccc23)cc1 946558 KJEAZDXPDUASAN-OAQYLSRUSA-N 386.451 5.263 5 40 GKBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl 3343794 FBGINETXLRPJKY-UHFFFAOYSA-N 382.224 5.473 5 40 GKBB O=C(Nc1nc2c(Cl)cccc2s1)c1cc2cc([N+](=O)[O-])ccc2s1 4079241 CJVZZMQSVKVLEV-UHFFFAOYSA-N 389.845 5.325 5 40 GKBB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])cc1Cl 18835720 DXNJRWGIGXDDSS-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB CC(C)c1ccc([C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1 57574427 UHXHBBYBBPGJFU-NRFANRHFSA-N 384.476 5.072 5 40 GKBB Cc1cc(C(=O)Nc2cccc(-c3nc4c(C)cccc4o3)c2)ccc1[N+](=O)[O-] 824623 ZTEAJZXXEMOKNF-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 14601663 MPOIVTFGWVBMAJ-UHFFFAOYSA-N 379.121 5.173 5 40 GKBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2759432 REPDMGDQLCXEML-UHFFFAOYSA-N 392.198 5.117 5 40 GKBB C[n+]1c([C@H](Cc2ccc([N+](C)(C)C)cc2)c2ccccc2)ccc2ccccc21 3845721 AVVDRJMQOVZWTQ-RUZDIDTESA-N 382.551 5.236 5 40 GKBB O=c1oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc2c2ccccc12 4024113 WMSVJHWIVHFEGH-UHFFFAOYSA-N 394.426 6.318 5 40 GKBB biogenic Cc1cccc(C)c1NC(=O)CSc1c([N+](=O)[O-])ccc(Cl)c1Cl 2161151 LAKNXUSMTCXJGW-UHFFFAOYSA-N 385.272 5.249 5 40 GKBB C[C@@H](Nc1c([N+](=O)[O-])c(=O)oc2ccccc12)c1ccc(-c2ccccc2)cc1 59488859 CFHQZGSUNVYZTE-OAHLLOKOSA-N 386.407 5.541 5 40 GKBB O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5217627 WJDZGQBIENXBLE-UHFFFAOYSA-N 391.427 5.097 5 40 GKBB Cc1cc(C)c2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc(C)c2c1 6788650 WPTHMDZTISQVLG-OAHLLOKOSA-N 395.484 5.188 5 40 GKBB Cc1ccc2c(Cl)c(C3=N/C(=C/c4cccc([N+](=O)[O-])c4)C(=O)O3)sc2c1 408838676 HAASXKQERDBJQM-NTEUORMPSA-N 398.827 5.116 5 40 GKBB COc1cc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])ccc1OCc1ccccc1 828111 VGVROVFLASDDPI-HSZRJFAPSA-N 389.407 5.026 5 40 GKBB CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc3ccccc3c12 2190590 MTWPSZWKKVZIKH-UHFFFAOYSA-N 383.491 6.529 5 40 GKBB O=c1oc2c([N+](=O)[O-])cccc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 2200929 WRDNFZMNOZQSBT-UHFFFAOYSA-N 384.800 5.145 5 40 GKBB COc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)c1 5033185 BHIPTTYGMPYLCD-UHFFFAOYSA-N 386.791 5.078 5 40 GKBB O=C(Nc1ccc(Cl)cc1Cl)c1cc2c(ccc3ccccc32)oc1=O 845975 PYWNOVXEQSMUIS-UHFFFAOYSA-N 384.218 5.505 5 40 GKBB O=C(O)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccc3ccccc3c12 2155911 BKYUBDOXGJCWCM-UHFFFAOYSA-N 399.833 6.667 5 40 GKBB Brc1cccc2c1ccc1c(Br)c3ccccc3cc12 104054550 FSJQLWFSKYYMNW-UHFFFAOYSA-N 386.086 6.671 5 40 GKBB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 391666172 SCARSXXOTZWFIZ-UHFFFAOYSA-N 379.121 5.173 5 40 GKBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 72229274 MDNKFFVTMSTLDW-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB CC(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc1 4322754 SEQBUVKAGGDRLD-XMMPIXPASA-N 385.467 6.074 5 40 GKBB CCC1(CC)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1 222693089 GBFOGIOPAOYDPW-QGZVFWFLSA-N 388.851 5.061 5 40 GKBB O[C@@H](c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCCN1 1567989 DAGCDWKOQHGGEX-UXHICEINSA-N 393.836 5.841 5 40 GKBB CCCCOc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 6323534 VLWWMGRSZPIWKC-UHFFFAOYSA-N 397.456 5.150 5 40 GKBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1c2ccccc2cc2ccccc12 205682333 BKRUPAZFVJILRQ-HYARGMPZSA-N 394.386 5.246 5 40 GKBB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408601600 KRZRNNRTVVQUDD-LZWSPWQCSA-N 394.427 5.537 5 40 GKBB O=C(Oc1ccccc1-c1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1Cl 682254 XICUZNHDUNXADK-UHFFFAOYSA-N 394.770 5.276 5 40 GKBB C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC2c3ccccc3C1c1ccccc12 825787 NLVZYFGMLODDHV-IWAAJCSBSA-N 384.435 5.221 5 40 GKBB O=C(NCc1ccc(Cl)cc1)OCc1c2ccccc2cc2ccccc12 1566127 RDKPROIPLXKWLS-UHFFFAOYSA-N 375.855 6.073 5 40 GKBB Cc1c(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cccc1[N+](=O)[O-] 6455958 LSOQLPGELSQYFJ-UHFFFAOYSA-N 382.228 5.072 5 40 GKBB O=C(OCc1nc2ccccc2c2ccccc12)c1cncn1-c1ccc(F)cc1 6590436 YYSPNVFOCJRBMQ-UHFFFAOYSA-N 397.409 5.070 5 40 GKBB O=C(Nc1cccc2ccccc12)c1sc2c([N+](=O)[O-])cccc2c1Cl 9668732 CYNPNCWCMBRTMN-UHFFFAOYSA-N 382.828 5.868 5 40 GKBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408977784 YDTKLKQWYGJBGU-AWEZNQCLSA-N 395.487 5.589 5 40 GKBB Cc1c(C2=CCCCC2)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3208256 LEUBNDQSEVVERJ-UHFFFAOYSA-N 394.858 5.998 5 40 GKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccc(Cl)c1Cl 5937980 FKWVNDCARYPHMA-UHFFFAOYSA-N 399.229 5.610 5 40 GKBB Cc1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 72229125 LNGKUFCGMXUKSP-UHFFFAOYSA-N 387.867 5.554 5 40 GKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225507804 GYSYEIIXXJRCIV-KRWDZBQOSA-N 396.487 5.531 5 40 GKBB Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc(Cl)cc3)c12 2211505 AMYGGASBRJYMEV-UHFFFAOYSA-N 387.870 5.779 5 40 GKBB CC(C)(C)c1csc(Sc2sc(Cl)c([N+](=O)[O-])c2[N+](=O)[O-])n1 5187796 LCDYDKNMLZKONB-UHFFFAOYSA-N 379.872 5.123 5 40 GKBB O=[N+]([O-])c1ncccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12 5688421 LKKXGAIMKQVMGD-UHFFFAOYSA-N 384.804 5.107 5 40 GKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(CSc2ccccc2)cc1 408908110 TXUZKZGIISMHMZ-XNTDXEJSSA-N 390.464 5.539 5 40 GKBB Brc1ccc(-c2cn3c(n2)sc2c4ccccc4ccc23)cc1 1782801 NAGOHGHFGNVGJC-UHFFFAOYSA-N 379.282 6.132 5 40 GKBB COc1ccc2c(c1)c(=O)oc1cc3occ(-c4ccc(Cl)cc4)c3cc12 2438196 RLTKPZNTWUKKOZ-UHFFFAOYSA-N 376.795 6.021 5 40 GKBB CC1(C)Oc2ccc3c(c2O1)[C@H]1CCCC[C@@H]1O[C@@H]3c1cccc([N+](=O)[O-])c1 12402504 TVXJXQLIRDPFDY-RIFZZMRRSA-N 381.428 5.248 5 40 GKBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2sccc2[C@H]1c1ccccc1 8115174 BTMSITJLUONNNW-LJQANCHMSA-N 398.871 5.098 5 40 GKBB CCc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(O)cc3)C2)cc1 26570556 JZCSAQNWSHUJNG-HSZRJFAPSA-N 387.439 5.219 5 40 GKBB COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(C)C 223270921 DTAHHKHSFVPXFW-CYBMUJFWSA-N 390.867 5.180 5 40 GKBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 6045692 MOUHTBPZOLCVTM-UHFFFAOYSA-N 388.452 5.135 5 40 GKBB O=C(c1c[nH]c2ccccc12)[C@H](Sc1ncccc1[N+](=O)[O-])c1ccccc1 65578338 QLWOXCXPAVKWHR-HXUWFJFHSA-N 389.436 5.187 5 40 GKBB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247447757 YWFVNHVVWQBRRW-KMNYTQEUSA-N 398.846 5.243 5 40 GKBB CC1CCN(C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1 33797384 CKGIAHCNYBBZMN-UHFFFAOYSA-N 392.553 5.426 5 40 GKBB CC1CC[N+](C)(C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 41690071 YUQCMTZZHZALTK-FMQWRWPZSA-N 376.605 5.017 5 40 GKBB CC(C)c1ccc(Nc2nc(Cl)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4797891 MJOOLICAGSIXPH-UHFFFAOYSA-N 384.827 5.044 5 40 GKBB CCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 8340624 YUSIDKBKJZCAFB-UHFFFAOYSA-N 396.472 5.183 5 40 GKBB CN(Cc1csc2ccccc12)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 60686523 QWJOZOUXSNERLJ-UHFFFAOYSA-N 382.466 5.296 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 409001734 QZVSWUXTYPCXOH-ROILNYFKSA-N 388.389 5.910 5 40 GKBB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(Cl)c([N+](=O)[O-])c1 6550489 BCYQEEYPZSZWDF-UHFFFAOYSA-N 383.816 5.263 5 40 GKBB Cc1noc(/C=C/c2ccccc2OCc2ccc3ccccc3c2)c1[N+](=O)[O-] 33664429 DTRVCPPUZUOJFH-OUKQBFOZSA-N 386.407 5.794 5 40 GKBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Sc1ccccc1 59241578 FBOCPVOXHMZQTC-BUHFOSPRSA-N 376.437 5.398 5 40 GKBB CCc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409110826 YXYMOZABYFXTOK-UHFFFAOYSA-N 393.399 5.470 5 40 GKBB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C 409114321 JBVKCLGLMZYOON-UHFFFAOYSA-N 396.874 6.056 5 40 GKBB O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c3c2Nc2ccccc2S3)cc1 3245179 WOTPHOULEWGCMQ-UHFFFAOYSA-N 386.436 5.656 5 40 GKBB CC(C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 72229501 VDYNGEVWDKNUEO-UHFFFAOYSA-N 383.231 5.043 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 226333056 NNPGXNNMHLKNCA-TUNDHSSBSA-N 389.282 6.198 5 40 GKBB O=[N+]([O-])C[C@@H](c1ccccc1OCc1ccccc1F)c1c[nH]c2ccccc12 408567597 GXNJISQCVJBNTG-FQEVSTJZSA-N 390.414 5.295 5 40 GKBB O=C(O)c1cc(-c2c[nH]nc2-c2ccc(F)cc2)c2c(ccc3ccccc32)n1 759066 PGNZCXFCWACUPU-UHFFFAOYSA-N 383.382 5.282 5 40 GKBB O=[N+]([O-])c1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 868878 WOYRTSGEVPUISB-UHFFFAOYSA-N 382.228 5.244 5 40 GKBB Cc1cc2nc3ccc(Nc4ccccc4)cc3[n+](-c3ccccc3)c2cc1N 3846905 JEAPXQQFFBZOEO-UHFFFAOYSA-O 377.471 5.299 5 40 GKBB O=[N+]([O-])c1ccc(CSc2nc3cc(C(F)(F)F)ccc3n2C2CC2)cc1 4624028 JWTUWFSGQAFWRY-UHFFFAOYSA-N 393.390 5.591 5 40 GKBB O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1cc([N+](=O)[O-])ccc1Cl 5799524 WIZXVMJXVJJSJG-UHFFFAOYSA-N 397.601 5.322 5 40 GKBB O=C(NCCC1=CCCCC1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408996187 OQRFFCSQCSKHRN-UHFFFAOYSA-N 385.471 5.276 5 40 GKBB Cc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C)c1 409113468 IIYGHYZAVSAVDF-UHFFFAOYSA-N 393.399 5.524 5 40 GKBB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 7401725 AFFOXLYXWZEDPF-OAHLLOKOSA-N 386.517 5.961 5 40 GKBB Cc1ccc2c(oc(=O)c3c(-c4cccnc4)nc4c5ccccc5oc4c32)c1C 11865277 BNVZCYGAZJJMIB-UHFFFAOYSA-N 392.414 5.919 5 40 GKBB biogenic C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 4719690 MCCDZVFPRDLZRM-IERDGZPVSA-N 387.439 5.187 5 40 GKBB CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2Cl)c1 4965732 CWYKVMMGWXOKCO-UHFFFAOYSA-N 385.272 5.656 5 40 GKBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)NC1CCCCC1 408977720 XTNIWRFNMPFPKI-UHFFFAOYSA-N 392.553 5.617 5 40 GKBB S=C(Nc1cccc2ccccc12)Nc1cc2ccncc2c2ncccc12 408978126 YEPRPJJAYVDVAX-UHFFFAOYSA-N 380.476 5.745 5 40 GKBB CCOc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 409112104 AZIAPLYYWBVNJW-UHFFFAOYSA-N 378.428 5.185 5 40 GKBB CCN(CC)[C@@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 6384796 NVQRSFKDVZIWIW-AWEZNQCLSA-N 384.317 5.669 5 40 GKBB CC1CC[N+](Cc2ccccc2)(C[C@H](O)COc2ccc3ccccc3c2)CC1 226073066 UMGOIQGLFQSECT-PIFVYSLYSA-N 390.547 5.026 5 40 GKBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nc3ccccc3s2)cc1 409191886 PORPFBWLEGAZDG-UHFFFAOYSA-N 378.478 6.331 5 40 GKBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 33736546 GPCLRJCVTAOMEF-FQEVSTJZSA-N 395.798 5.029 5 40 GKBB CC(C)Cc1nc2oc3c(ccc4ccccc43)c(=O)c2c2nc3ccccc3n12 5208324 YYLPVXSFJDVYRG-UHFFFAOYSA-N 393.446 5.494 5 40 GKBB O=[N+]([O-])c1cccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c1 96523229 SMDKXZCYBNATBE-UHFFFAOYSA-N 387.483 5.002 5 40 GKBB O=C(Nc1cccc(Cl)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408907462 OPIMBFAVECHKIL-DEDYPNTBSA-N 378.815 5.428 5 40 GKBB Oc1ccc(Br)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 1248239 ZKSNVBBOSUYWCZ-UHFFFAOYSA-N 389.252 6.004 5 40 GKBB C(=C\c1c2ccccc2nc2ccccc12)\c1c2ccccc2nc2ccccc12 4824560 HPHSXUJDNGYBHI-ZCXUNETKSA-N 382.466 7.260 5 40 GKBB CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1 409002292 SVQYEQUNOONAHF-JRFVFWCSSA-N 386.451 5.465 5 40 GKBB O=C(O)Cc1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 6507535 DYDNDOAIPLCFTL-UHFFFAOYSA-N 384.391 5.104 5 40 GKBB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3ccc4ccccc4c23)cc1 9239141 QRPUBAUEHVXZPT-UHFFFAOYSA-N 379.890 7.684 5 40 GKBB O=[N+]([O-])c1ccc(/C=C2\c3cc(Cl)ccc3-c3c(Cl)cc(Cl)cc32)o1 31716915 OJFLASZOMATZFH-RIYZIHGNSA-N 392.625 6.717 5 40 GKBB Cc1ccc(-c2csc3ncnc(Oc4cccnc4[N+](=O)[O-])c23)cc1C 51185422 QFOLSBXHVQTSLZ-UHFFFAOYSA-N 378.413 5.071 5 40 GKBB COC(=O)/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)/C=C\C(=O)O 77869893 RAFGELQLHMBRHD-AXGGVLGISA-N 394.511 5.810 5 40 GKBB O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921031 BKPFSMYDXWBMQD-LFVJCYFKSA-N 394.430 5.927 5 40 GKBB O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc2ccccc2c1 408978422 ZRHNKDJCWOYEBC-UHFFFAOYSA-N 388.430 5.670 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C)CC2c3ccccc3C1c1ccccc12 714014 BNLGQOBZYBKGHG-GCKKQHTFSA-N 398.462 5.529 5 40 GKBB Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C 5417336 MUALAPQEBMUVAS-UHFFFAOYSA-N 387.848 5.241 5 40 GKBB COc1oc([C@H]2CC/C(=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)O2)c(C)c(=O)c1C 5764945 OGUMLESFFBGVOO-VJDLAWOBSA-N 397.427 5.012 5 40 GKBB in-vitro CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])o1 102690644 MFXZFJDVTDAMJA-HXUWFJFHSA-N 395.415 5.000 5 40 GKBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1 2304346 RHAHQJPXZDXINE-UHFFFAOYSA-N 375.815 5.972 5 40 GKBB C[C@@H](Nc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-])c1ccccc1 8586908 YZDKCIBKIVREMC-CYBMUJFWSA-N 376.372 5.078 5 40 GKBB CC(=O)Nc1ccc(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 15164618 YBWLOQRWPIHGSG-UHFFFAOYSA-N 390.770 5.377 5 40 GKBB Cc1c(Cl)cccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 17017157 FZVMMQUXXPHXIT-UHFFFAOYSA-N 390.830 5.910 5 40 GKBB CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 104567993 KXUZCQZHLJDLGP-UHFFFAOYSA-N 389.503 5.601 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 409333856 DPSQZFKBCIXMIK-UDBGOSAKSA-N 389.282 6.198 5 40 GKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4893821 CTGWZLOICHETMW-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc(Cl)c1 409218644 WWZFULKIRHNIAI-VGOFMYFVSA-N 395.223 5.143 5 40 GKBB C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1 8708949 MCAWPINHOHRHOX-LLVKDONJSA-N 391.836 5.064 5 40 GKBB O=C1N[C@H](c2c3ccccc3cc3ccccc23)Nc2sc3c(c21)CCCC3 2052832 XMFWEIXFDUVQTI-QFIPXVFZSA-N 384.504 5.787 5 40 GKBB O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccc(Cl)cc1 59498094 JNYLZGFRAWCUTO-FQEVSTJZSA-N 393.830 5.015 5 40 GKBB Cc1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1C 409001333 PDSZMVFJCYQSIX-UHFFFAOYSA-N 398.491 6.259 5 40 GKBB Cc1ccc(C)c(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409115789 HIPNMEMIJBRKAK-UHFFFAOYSA-N 393.399 5.524 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 61429914 BXWAXWXOCJWCMD-UHFFFAOYSA-N 399.406 5.478 5 40 GKBB COc1ccc2[nH]c3c(C)c4ccn5c(=O)c6ccccc6cc5c4c(C)c3c2c1 1575073 XOCALFAHKXTSBR-UHFFFAOYSA-N 392.458 5.866 5 40 GKBB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 224517699 NILRTBJNAFINBU-ZDUSSCGKSA-N 376.840 5.086 5 40 GKBB O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 408556264 INUYIVVOUBUJKH-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)oc2cc1C 5747173 DZWKEMGKZXCGTE-UHFFFAOYSA-N 391.383 5.174 5 40 GKBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SC2CCCC2)cc1 44085533 IHGATHCWEZASME-UHFFFAOYSA-N 379.485 5.791 5 40 GKBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1c2ccccc2Sc2ccccc21 1310183 SKQULWSJQFDQMH-UHFFFAOYSA-N 382.828 5.691 5 40 GKBB aggregator Cc1c(NCc2ccccc2)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 4619139 RKEIGNMRDVHCCH-UHFFFAOYSA-N 392.415 5.036 5 40 GKBB O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2)c1 44086087 ZDADTWABXPLLDM-UHFFFAOYSA-N 387.464 5.740 5 40 GKBB O=C(O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247341114 SCPPQCMJQPSDRV-LOVBUYMTSA-N 398.846 5.243 5 40 GKBB Cc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 19932847 JNZAXSVYXDLSSV-HXUWFJFHSA-N 380.831 5.076 5 40 GKBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)c1ccccc1 1327804 HIDAPTOIJNGCQK-UHFFFAOYSA-N 387.489 5.368 5 40 GKBB Fc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Br 2363375 ZBTGDXNTDRDNLB-UHFFFAOYSA-N 391.243 6.438 5 40 GKBB Clc1cc2c(cc1CSc1nc3ccccc3c3ccccc13)OCO2 12139465 RFTCOGXMJUQXAM-UHFFFAOYSA-N 379.868 6.062 5 40 GKBB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247447766 YWFVNHVVWQBRRW-WVPHPZGVSA-N 398.846 5.243 5 40 GKBB O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1F 72229227 QWMIFGFGMOZNFB-UHFFFAOYSA-N 391.830 5.384 5 40 GKBB Cc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C 409112965 MTEJGPFRBYFRHB-UHFFFAOYSA-N 393.399 5.524 5 40 GKBB CC[C@H](C)n1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2218246 GKFDXLPNOYBPOG-HNNXBMFYSA-N 392.503 5.493 5 40 GKBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1c(F)cccc1F 3235618 VPMDIMJYGGXHFR-UHFFFAOYSA-N 391.373 5.067 5 40 GKBB CCCn1c(C)cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1C 3308718 IMRYWDZEISECSF-UHFFFAOYSA-N 389.502 5.008 5 40 GKBB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 4545693 UTHKUZZXJNATCR-SCLBCKFNSA-N 399.516 5.626 5 40 GKBB Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccccc3Cl)c12 5017203 LZNZLVLUTKOXHL-UHFFFAOYSA-N 387.870 5.779 5 40 GKBB Cc1ccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl 409117931 MDLMDJBJCGVROC-UHFFFAOYSA-N 382.847 5.748 5 40 GKBB Cc1[nH]c2ccccc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)[nH]c2ccccc12 4134607 BJXINTHIGZVAEG-UHFFFAOYSA-N 395.462 6.354 5 40 GKBB CCCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OCCC 6981183 NMRRPIDCJWSNOQ-UHFFFAOYSA-N 392.839 5.078 5 40 GKBB O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1 408556152 HZLRKGSFGIMCMW-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1Cl)N2 409000967 OFOQECLEJFTHFB-COPCDDAFSA-N 376.843 5.719 5 40 GKBB CCOc1ccc(Nc2nc(Nc3cccc(C)c3C)nc(C)c2[N+](=O)[O-])cc1 5393488 FBEDRMCBNGGQHQ-UHFFFAOYSA-N 393.447 5.196 5 40 GKBB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1ccc([N+](=O)[O-])cc1 16249832 NWSBOSZKUUECSH-UHFFFAOYSA-N 398.418 5.475 5 40 GKBB CCOC(=O)c1sc2cccc(F)c2c1CNc1cccc([N+](=O)[O-])c1C 32739716 VAKHVFKKFLFZRX-UHFFFAOYSA-N 388.420 5.046 5 40 GKBB O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccccc4s3)c2)c([N+](=O)[O-])c1 409249388 HSXHLFYTQIIDEY-UHFFFAOYSA-N 393.380 5.572 5 40 GKBB Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1[N+](=O)[O-] 853561 FNVZWKZYNLFCOO-UHFFFAOYSA-N 381.240 5.677 5 40 GKBB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc([N+](=O)[O-])c1 1505404 DLJOWTDTCUWCKU-UHFFFAOYSA-N 375.409 5.124 5 40 GKBB COc1cc(-c2nc3ccccc3s2)ccc1OCc1cccc([N+](=O)[O-])c1 8113667 YMGMVLMZTYXDKL-UHFFFAOYSA-N 392.436 5.459 5 40 GKBB O=C(Nc1ccccc1OC(F)F)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315840 BHAHSDXSCFVKEF-UHFFFAOYSA-N 398.774 5.317 5 40 GKBB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C\c1onc(C)c1[N+](=O)[O-] 16249571 ANHRNGKBAXEJKN-HYXAFXHYSA-N 394.471 5.538 5 40 GKBB C[N+](C)(C)c1ccc([C@@H](/C=C2\C=Cc3ccccc3[N+]2(C)C)c2ccccc2)cc1 68564244 FNRWCJGBIZZITI-SJALUMQSSA-N 396.578 6.193 5 40 GKBB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2c3ccccc3cc3ccccc23)S1 260781242 SNDMOXQBTGIDPK-QQTNTEGQSA-N 395.531 5.977 5 40 GKBB CCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1OC 2400944 CKOYHJRTVCDSJK-UHFFFAOYSA-N 397.478 5.502 5 40 GKBB C[C@@H](Oc1cc(Cl)ccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6551689 PCNWXHQREJQCQJ-SECBINFHSA-N 380.187 5.092 5 40 GKBB COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1)c1c(C)[nH]c2ccccc12 6714280 DLWAYTQMVLGBEA-QHCPKHFHSA-N 387.439 5.595 5 40 GKBB CCCSc1nnc2c3sc4nc(CCC)c5c(c4c3ncn12)CCCC5 2248026 NFGJUWBQWDUNSV-UHFFFAOYSA-N 397.573 5.221 5 40 GKBB Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)oc2c(Cl)cc(Cl)cc2c1=O 3294700 FFCSJNNTEZXFBL-UHFFFAOYSA-N 384.602 5.637 5 40 GKBB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225505881 QEGKIBPPLAMETH-UHFFFAOYSA-N 382.460 5.080 5 40 GKBB CCCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 5516262 MGUGJAFSLRMKGL-UHFFFAOYSA-N 395.506 6.273 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 408994971 KASUQSNGBBXBDF-ROILNYFKSA-N 388.389 5.910 5 40 GKBB Cc1[nH]c2ccccc2c1C(c1cccc([N+](=O)[O-])c1)c1c(C)[nH]c2ccccc12 4523785 FARIPWVKLVNFBJ-UHFFFAOYSA-N 395.462 6.354 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@H]12 106534525 ABSHAPYWJDXNFP-RXFVIIJJSA-N 382.612 5.829 5 40 GKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536167 FHAQNHIPEIUFCN-UHFFFAOYSA-N 382.460 5.224 5 40 GKBB CN(C(=S)Nc1cc2ccncc2c2ncccc12)c1ccc2ccccc2c1 408975521 MKEWVJIZDFFFIW-UHFFFAOYSA-N 394.503 5.769 5 40 GKBB COc1ccc(OC)c(-c2nc3cc4ccccc4cc3nc2-c2ccccc2)c1 2195879 TVSHEJXAVPFDIX-UHFFFAOYSA-N 392.458 6.134 5 40 GKBB CCc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 3451737 UBXVQUZWCXJAJX-UHFFFAOYSA-N 387.848 5.186 5 40 GKBB CCc1cc2c(cc1O)oc(=O)c1c(C)nc3c(sc4nc(C)cc(C)c43)c12 11865331 CKNDVFXEZLKFBN-UHFFFAOYSA-N 390.464 5.297 5 40 GKBB biogenic Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1 199411283 NCRIXIGUFAXGDP-QFIPXVFZSA-N 383.407 5.134 5 40 GKBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1c(F)cccc1Cl 3510931 TXHITSLCGOGCAU-UHFFFAOYSA-N 382.774 5.096 5 40 GKBB Fc1c(Nc2ccc(Cl)cc2)c(F)c2nc3ccc(Cl)cc3cc2c1F 5242725 JNRBHHDSGZKNLA-UHFFFAOYSA-N 393.195 6.856 5 40 GKBB CCOc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 10294171 RXJDPLURPAEAQG-PXLXIMEGSA-N 388.423 5.173 5 40 GKBB Cc1cc2c(cc1C)N[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)CC(C)(C)CC1=N2 102648594 UINKVUWGSKYZNT-JOCHJYFZSA-N 391.471 6.083 5 40 GKBB O=[N+]([O-])c1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1 408606572 ISNWDBVXJLVVBP-UHFFFAOYSA-N 384.435 5.939 5 40 GKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 408999000 RBUPAVISLCGXNE-UDBGOSAKSA-N 398.846 5.243 5 40 GKBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 5369626 NXISPJHWCYXZSO-SXSPYAJSSA-N 394.515 5.698 5 40 GKBB Cc1cccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)c1 9434894 BJZUMEKBLIRVPK-UHFFFAOYSA-N 385.448 5.517 5 40 GKBB Cc1ccc(Sc2ccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)c(C)c1 12595076 OQEVEAWANORTPL-UHFFFAOYSA-N 392.480 5.924 5 40 GKBB CC[N+](C)(CC)CCCN[C@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl 31939017 XVNVYTJFSCJBDC-OAHLLOKOSA-N 387.202 5.217 5 40 GKBB O=C(NCc1ccccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4703686 ZONOOEKBINQDEY-XSFVSMFZSA-N 392.842 5.105 5 40 GKBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33899840 HXRTVAHMUDIJAH-UHFFFAOYSA-N 377.183 5.414 5 40 GKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 107986672 WKJBRSQCXMZMND-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc2c(Cl)cccc12 408623428 UCLFYUFWQYJYEK-UHFFFAOYSA-N 375.211 5.616 5 40 GKBB Cc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1C 409118348 PFIBPVHNXDCVSF-UHFFFAOYSA-N 393.399 5.524 5 40 GKBB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc([N+](=O)[O-])cc1 17080060 RXVJEDXXWLAVEY-UHFFFAOYSA-N 392.194 5.519 5 40 GKBB Cc1cc(NC(=O)c2ccccc2Br)c2ccc3ccccc3c2n1 40384508 FOWZDTKHWHUBNM-UHFFFAOYSA-N 391.268 5.711 5 40 GKBB O=C1c2cc3ccc4ccccc4c3nc2CN1c1ccc(Br)cc1 96319275 FGXMVGJFDPBWKC-UHFFFAOYSA-N 389.252 5.311 5 40 GKBB CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536390 ZOLHZFLUAOBUGD-UHFFFAOYSA-N 396.487 5.470 5 40 GKBB CC(=O)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])c(/C=C/c3ccccc3)cc12 3845211 RKCNYNPBRKEFSK-OUKQBFOZSA-N 398.418 5.839 5 40 GKBB CN(Cc1csc(-c2cccs2)n1)Cc1cc([N+](=O)[O-])ccc1Cl 95469909 HNPHQTXOHLAHAY-UHFFFAOYSA-N 379.894 5.065 5 40 GKBB Cc1ccc(-c2nc3sc4ccccc4c(=O)c3c3nc4ccccc4n23)cc1 5208992 RSUVBEQEWAIYPU-UHFFFAOYSA-N 393.471 5.586 5 40 GKBB Cc1c(O)ccc2c1oc1c(-c3ccc(O)cc3)c3c(O)nn(C(C)C)c3nc12 79474741 DFRTXIBNYAQVQT-UHFFFAOYSA-N 389.411 5.004 5 40 GKBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3C)nc2c1 839016 JYBNQKSRFLBJLB-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=[N+]([O-])c1cccc(-c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)c1 4860732 HZLSXVGPVRLKOX-UHFFFAOYSA-N 376.803 5.602 5 40 GKBB COc1ccc(-c2cnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 3209718 FAJPNOCYSZFHTA-UHFFFAOYSA-N 385.444 5.745 5 40 GKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 14413139 RGLPUNAUFFHCTA-NTCAYCPXSA-N 376.437 5.398 5 40 GKBB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 408622708 QZWUTYLCIBFCCN-UHFFFAOYSA-N 376.840 5.006 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1c(Cl)cccc1Cl 8040522 IAAWDBQCQBOUSE-UHFFFAOYSA-N 398.249 5.967 5 40 GKBB COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C(=O)O 238772385 RAFGELQLHMBRHD-FMSVYAGWSA-N 394.511 5.810 5 40 GKBB CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408571137 NTAWANRKHPTJEA-CQSZACIVSA-N 379.243 5.282 5 40 GKBB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 30755370 HIEFFQKDZZDEFH-GOSISDBHSA-N 384.819 5.198 5 40 GKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1c(F)cccc1Cl)C3 20610459 HONUJPAQRXSSLF-UHFFFAOYSA-N 395.817 5.091 5 40 GKBB biogenic C[N+](C)(Cc1ccccc1Cl)C[C@H](O)CN(c1ccccc1)c1ccccc1 859270 KXEIWZVOQCZDOX-HSZRJFAPSA-N 395.954 5.116 5 40 GKBB CC(C)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 14808943 NGGGAMZZXFGJOQ-JOCHJYFZSA-N 398.506 5.058 5 40 GKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccccc4c32)c1 21017261 RJEMGSDMEBOXND-UHFFFAOYSA-N 384.370 5.288 5 40 GKBB O=[N+]([O-])c1cccc(NCc2cccc(OCc3cccc4ccccc34)c2)c1 408556114 HTURYLPUVGFSGW-UHFFFAOYSA-N 384.435 5.939 5 40 GKBB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 408998994 RBUPAVISLCGXNE-LAXZETSFSA-N 398.846 5.243 5 40 GKBB O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 5901190 FZGKCNRLYZNICR-UHFFFAOYSA-N 392.455 5.542 5 40 GKBB Cc1ccc(-c2c3sc4ccccc4nc-3c3cc(C)c(C)cc3c2=O)cc1C 67300073 CIWDPTNYIZQDBS-UHFFFAOYSA-N 395.527 6.815 5 40 GKBB Cc1c(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cccc1[N+](=O)[O-] 409088960 MJYORGBNTWALPM-ODLFYWEKSA-N 378.409 5.249 5 40 GKBB CCCCN(CCCC)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 1827350 QDBLMZLFKYVYBC-UHFFFAOYSA-N 378.476 5.612 5 40 GKBB COc1ccc(-c2coc3c(C)c4oc(=O)c5cc(OC)ccc5c4cc23)cc1 2114981 QQCAHHRQHSZCIX-UHFFFAOYSA-N 386.403 5.685 5 40 GKBB biogenic O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1cccc2ccccc12 4860483 HWBGWKXRMJSSIA-UHFFFAOYSA-N 393.402 6.151 5 40 GKBB CSc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 6215405 OGHWFNJECMHGCK-UHFFFAOYSA-N 380.425 5.361 5 40 GKBB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc([N+](=O)[O-])cc4)C(=O)O3)sc2c1 408840840 CEZZLBRKBUSVTI-NTEUORMPSA-N 398.827 5.116 5 40 GKBB Cc1c(CCC(C)C)c(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 4028946 QLICOMSZVSPJDG-UHFFFAOYSA-N 381.428 5.177 5 40 GKBB biogenic c1ccc(-c2ccc(Nc3ccc4oc5cc6ccccc6cc5c4c3)cc2)cc1 2362801551 RKPAKHSFEVWSKL-UHFFFAOYSA-N 385.466 8.150 5 40 GKBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc2ccccc2c1 714697 GMKRWTCIOFFVOP-HSZRJFAPSA-N 395.418 5.519 5 40 GKBB O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1 91252362 TUQSSAYQECWEKB-UHFFFAOYSA-N 396.199 5.333 5 40 GKBB CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 409002295 SVQYEQUNOONAHF-NHTMILBNSA-N 386.451 5.465 5 40 GKBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(-c2nc3ccccc3o2)cc1 4134763 RRNCAMXMZMTOJJ-PKNBQFBNSA-N 391.408 5.116 5 40 GKBB CCCCN(CCCC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 4366915 CAOQWHDETXXAJT-UHFFFAOYSA-N 396.600 6.037 5 40 GKBB CC(C)(C)c1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O 5722327 UGBMAHPDXWPZBL-UHFFFAOYSA-N 387.436 5.547 5 40 GKBB Cc1c(Br)c(O)c(C(C)C)c2oc(-c3ccc([N+](=O)[O-])cc3)nc12 26787180 MEGCDAKSOVWRNB-UHFFFAOYSA-N 391.221 5.303 5 40 GKBB CN(C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccccc1 38202412 UCCULXAZIULAHI-UHFFFAOYSA-N 384.464 5.064 5 40 GKBB C[C@@H](CC[C@H](COc1ccccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)C)CC(C)(C)C 2165934 VOWXGOGQMZSMGZ-SLFFLAALSA-N 391.596 7.515 5 40 GKBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 2442227 RLHLQGSSSCZNFO-UHFFFAOYSA-N 396.516 5.463 5 40 GKBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 409337009 SIZAFFGAILAMNS-KQNBPIEESA-N 399.834 5.453 5 40 GKBB Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl 6846373 LMWGTJWUOAKVRG-UHFFFAOYSA-N 391.210 5.722 5 40 GKBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 33736545 GPCLRJCVTAOMEF-HXUWFJFHSA-N 395.798 5.029 5 40 GKBB CCCN(Cc1ccccc1)C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408974479 AHFYDVBVKMZKLX-UHFFFAOYSA-N 394.478 5.317 5 40 GKBB CCc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 409111512 JCQGKYRSWHAOLC-UHFFFAOYSA-N 392.455 5.357 5 40 GKBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1c2ccccc2Oc2ccccc21 2312542 PHBWTGFJZZQDPR-UHFFFAOYSA-N 380.787 5.125 5 40 GKBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Cl)cc2)cs1 2346481 PRTRSZSAHSMLQK-UHFFFAOYSA-N 389.863 6.390 5 40 GKBB C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F 32855846 ARNJAFMURCOAQX-JTQLQIEISA-N 380.782 5.209 5 40 GKBB O=[N+]([O-])c1cccc(NCc2c(OCc3ccccc3)ccc3ccccc23)c1 408557160 NGENCNHVRHHGTJ-UHFFFAOYSA-N 384.435 5.939 5 40 GKBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(C)ccc(C)c32)cc1OC 5271855 WURRJNTWDBNGON-UHFFFAOYSA-N 397.478 5.420 5 40 GKBB Cc1nn(C2CCCCC2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SCC(O)=N2 9328106 ZDAGDLKZZMJKBW-SFHVURJKSA-N 386.477 5.029 5 40 GKBB CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@@H]1O[C@@H]3c1ccc([N+](=O)[O-])cc1 12402499 AAANQPDAZZHISZ-OXFYSEKESA-N 381.428 5.248 5 40 GKBB COc1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408975432 KFHVLCUMWWYZRV-UHFFFAOYSA-N 385.448 5.259 5 40 GKBB O=C(O[C@]1(c2ccccc2)C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 4945986 NKRYLCNOHSETBE-CKSGFJDPSA-N 377.440 5.103 5 40 GKBB Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2cccc([N+](=O)[O-])c2)n1 17078289 MGVVOBBPHSQNEH-UHFFFAOYSA-N 383.451 5.790 5 40 GKBB O=C(OCc1ccccc1)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 103167817 JMRRKJLYZYJXPN-UOYQGRGCSA-N 391.467 5.176 5 40 GKBB Cc1cccc(C)c1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 6643801 PHAJAMSISNJCFH-UHFFFAOYSA-N 383.447 5.405 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1Cl)N2 409000965 OFOQECLEJFTHFB-BVYCBKJFSA-N 376.843 5.719 5 40 GKBB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 5923737 MWRNAMWXIHUOLT-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1c2ccccc2cc2ccccc12 6048841 HMPOVDYPWMNUQW-UHFFFAOYSA-N 398.502 5.935 5 40 GKBB O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(F)cc2)cc1 409205054 NTKCUCGXBQMASH-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB CC[N+](C)(CCCCCCC[N+](CC)(CC)CC)Cc1cc2ccccc2o1 4863244 GWXWXOABDQULOZ-UHFFFAOYSA-N 388.640 6.226 5 40 GKBB Cc1c(-c2ccccc2)c(=O)oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc12 4340584 UIQHVFIAFNTCIK-UHFFFAOYSA-N 387.391 5.256 5 40 GKBB biogenic O=[N+]([O-])c1cc2c(c(CSc3nc4cc(Cl)ccc4s3)c1)OCOC2 6473318 NYBMXHAKLLVIOL-UHFFFAOYSA-N 394.861 5.017 5 40 GKBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSC(c1ccccc1)c1ccccc1 19160998 IKABQWNIADEUCV-UHFFFAOYSA-N 392.480 5.365 5 40 GKBB COc1cccc(NC(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)c1 104681461 DCXGJOSJFAXPTD-UHFFFAOYSA-N 399.479 5.082 5 40 GKBB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 248318872 PIETTXKDJKJUJR-PBTAIUJSSA-N 392.455 5.068 5 40 GKBB COc1ccc(NC(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 38199783 DGHNDBLWSUIXMG-UHFFFAOYSA-N 399.479 5.082 5 40 GKBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225507639 KEULKWVEZMPSON-UHFFFAOYSA-N 382.460 5.143 5 40 GKBB O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1 408613048 WWBAMYZHSUETKD-UHFFFAOYSA-N 384.435 5.939 5 40 GKBB Cc1ccc(C2=N[C@@H]3C=CC=C[C@@H]3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 11617364 HXIHDRLMICWHIA-BAGYTPMASA-N 376.481 5.434 5 40 GKBB Cc1ccccc1-c1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 72242785 INJKLDFJHZXSBY-UHFFFAOYSA-N 386.411 5.232 5 40 GKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 6615043 XFLVUWQABZRWOV-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)c1 4899006 SYLCDKGPBDWDOE-BKNRZZEASA-N 399.450 5.989 5 40 GKBB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc([N+](=O)[O-])o1 6496540 XACMOVHQIMTDDI-UHFFFAOYSA-N 399.362 5.402 5 40 GKBB CCOc1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408911365 NEPKBIRJLLCHHR-CAPFRKAQSA-N 388.423 5.173 5 40 GKBB O=C(Nc1cccc(Br)c1)Nc1cc2ncccc2c2cccnc12 408977157 UQJURGQIUQHZAS-UHFFFAOYSA-N 393.244 5.190 5 40 GKBB Cc1cccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)c1 824625 HPDIXJMNMFJBSA-UHFFFAOYSA-N 387.395 5.272 5 40 GKBB Cc1c(NC(=O)CSC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 8266615 ONKYHEWBHNYDAV-UHFFFAOYSA-N 392.480 5.365 5 40 GKBB CCC(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 868209 GVQFNKGOHPNZRO-UHFFFAOYSA-N 375.380 5.211 5 40 GKBB CC1CCN(c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2[N+](=O)[O-])CC1 5933558 RWKIXBBUEPUXRU-UHFFFAOYSA-N 381.476 5.207 5 40 GKBB COc1ccc2[nH]c(C)c(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1 4190295 XDCWWHWGCDVCEX-UHFFFAOYSA-N 393.365 5.067 5 40 GKBB Cc1c(CSc2nn(-c3ccccc3)c(=S)s2)cccc1[N+](=O)[O-] 40127263 GRQDQMQRCLCGOX-UHFFFAOYSA-N 375.500 5.172 5 40 GKBB CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 44088201 KLTGFCUNVRKDJV-UHFFFAOYSA-N 391.399 5.161 5 40 GKBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(F)c(Cl)c3)c2)cc1 408611570 TYIXPKNNFDWPCS-UHFFFAOYSA-N 386.810 5.578 5 40 GKBB Cc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OC(C)C 2206677 CEAMRWGUTCZNJE-UHFFFAOYSA-N 381.479 5.882 5 40 GKBB O=C(O)c1cccc(Cl)c1C(=O)c1ccc2ccc3cccc4ccc1c2c34 3094567 BMTQFMNHOMJWPL-UHFFFAOYSA-N 384.818 6.167 5 40 GKBB CC(C)(C)[P@@](=Nc1cccc([N+](=O)[O-])c1)(c1ccccc1)N1CCCCC1 5496431 CJPASZOGGUONEI-HHHXNRCGSA-N 385.448 5.952 5 40 GKBB CCOc1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 408974903 FGJHTAWPTPLMPA-UHFFFAOYSA-N 399.475 5.649 5 40 GKBB O=[N+]([O-])c1ccc(N2c3ccccc3Oc3ccccc32)c(Br)c1 1772715312 UGPNRACVTHMDSU-UHFFFAOYSA-N 383.201 5.933 5 40 GKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1F 3192914 RVSGYALDHQOCRK-SDNWHVSQSA-N 378.359 5.178 5 40 GKBB Cc1nc(Nc2cccc3ccccc23)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5360800 FJRPMQVTWFLDGI-UHFFFAOYSA-N 385.427 5.358 5 40 GKBB Cc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1[N+](=O)[O-] 6478342 JPNIIBFTBYLXOU-UHFFFAOYSA-N 382.228 5.072 5 40 GKBB O=[N+]([O-])c1ccc(N/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 100479628 NRRTVDQCZPGVHE-FOCLMDBBSA-N 382.423 5.530 5 40 GKBB O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1 4973932 AHFHZILFHCFKCU-UHFFFAOYSA-N 391.427 5.636 5 40 GKBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(CNc2ccccc2)cc1 409111300 CEMRFTCYORDUJL-UHFFFAOYSA-N 388.345 6.018 5 40 GKBB C[N+](C)(C)CCC(C(=O)CCc1ccccc1)(c1ccccc1)c1ccccc1 1593265 RELNFVYASNPWPL-UHFFFAOYSA-N 386.559 5.271 5 40 GKBB CC(C)c1ccc(-c2c3sc4ccccc4nc-3c3ccccc3c2=O)cc1 4145146 JWPOIYBLKQMSMD-UHFFFAOYSA-N 381.500 6.705 5 40 GKBB Cc1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc23)cc1 4739209 VDNWJYRHRXDTGW-UHFFFAOYSA-N 392.506 6.001 5 40 GKBB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])cc1 8915728 SGCPWFJMKJSZCA-UHFFFAOYSA-N 392.455 5.328 5 40 GKBB O=[N+]([O-])c1cccc2nc(/C=C/c3ccccc3OCc3ccccc3)ccc12 32665930 DQTASZHVRAELBS-BUHFOSPRSA-N 382.419 5.892 5 40 GKBB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 408627952 OQZCKJQHCVNMMY-UHFFFAOYSA-N 379.397 5.025 5 40 GKBB Cc1cccc2c3nc4ccccc4nc3n(Cc3ccc(OC(C)C)cc3)c12 2410022 XHPASECQZNIGOH-UHFFFAOYSA-N 381.479 5.882 5 40 GKBB O=[N+]([O-])c1ccc(/C=C2/c3cc(Cl)ccc3-c3c(Cl)cc(Cl)cc32)o1 1723753 OJFLASZOMATZFH-ZSOIEALJSA-N 392.625 6.717 5 40 GKBB COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1Cl 5259551 NAAZOUSRAVRLLT-UHFFFAOYSA-N 398.249 5.351 5 40 GKBB C[C@H](Sc1nnc(COc2ccccc2Cl)o1)c1cccc([N+](=O)[O-])c1 8708948 MCAWPINHOHRHOX-NSHDSACASA-N 391.836 5.064 5 40 GKBB O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1cc(F)c(F)cc1Cl 3068709 FYMCCKWLTOBEBC-UHFFFAOYSA-N 385.753 5.130 5 40 GKBB O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1 3151758 MGLOHURXGBNKSB-UHFFFAOYSA-N 378.609 5.956 5 40 GKBB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)cc2c1 915602 PBJNLSWJYKHUDQ-HNNXBMFYSA-N 395.484 5.188 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Nc1ccccc1)c1ccccc1 5939019 AAFFJLKBTXPPIY-IBGZPJMESA-N 381.819 5.040 5 40 GKBB Cc1cccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)c1 72229124 ANIZKIPCRDIUDJ-UHFFFAOYSA-N 387.867 5.554 5 40 GKBB Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1[N+](=O)[O-] 409025677 YEYQWTNGWSMYOB-UHFFFAOYSA-N 390.483 5.623 5 40 GKBB O=[N+]([O-])c1ccc([C@H]2CC2(Sc2ccccc2)Sc2ccccc2)cc1 3014277 BRGXMLQRVMRNHX-HXUWFJFHSA-N 379.506 6.363 5 40 GKBB Cc1cc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2cc1C 5152394 GGXKAEPRLYJRCK-UHFFFAOYSA-N 383.454 5.288 5 40 GKBB O=C(CSc1nc2ccccc2c2ccccc12)N1CCCc2ccccc21 12139469 XKJMQBLWKCMJIZ-UHFFFAOYSA-N 384.504 5.460 5 40 GKBB CC1(C)CC2=Nc3ccccc3N[C@@H](/C=C/c3ccccc3[N+](=O)[O-])C2=C(O)C1 102487144 BIXQVCNQNAXCRR-DXRVJIQQSA-N 389.455 5.807 5 40 GKBB CC(C)(C[N+](C)(C)Cc1ccccc1)[C@H]1O[C@H]2CCCC[C@H]2[C@H]2C=CCC[C@@H]12 4026453 ABSHAPYWJDXNFP-KJWQXZETSA-N 382.612 5.829 5 40 GKBB CC(=O)Nc1cc(Cl)c(Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 4772904 LGUJUZJSOQGCKH-UHFFFAOYSA-N 375.595 5.306 5 40 GKBB Cc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 72229101 NJLHTWVTCRBSNK-UHFFFAOYSA-N 387.867 5.045 5 40 GKBB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2c3ccccc3cc3ccccc23)S1 222569070 SNDMOXQBTGIDPK-VILGCMSXSA-N 395.531 5.977 5 40 GKBB O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccc(Cl)cc1 409193682 LCDGCRSDATYFSR-RIYZIHGNSA-N 395.223 5.143 5 40 GKBB Cc1ccccc1Nc1c2ccccc2c(Nc2ccccc2C)c2ccccc12 2066688 XDGHPLDUZQGPIB-UHFFFAOYSA-N 388.514 8.097 5 40 GKBB O=[N+]([O-])c1cc([N+](=O)[O-])c(NC2CCCCCC2)cc1NC1CCCCCC1 5588942 LVMAYZCHDQYXIP-UHFFFAOYSA-N 390.484 5.772 5 40 GKBB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8560660 BLEROYYDCHZDAI-UHFFFAOYSA-N 399.815 5.370 5 40 GKBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccc(-c2ccccc2F)o1 12866502 VPJAWIILYLUBPW-HNNXBMFYSA-N 396.418 5.146 5 40 GKBB COc1ccccc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1OC 2364614 KCZGWHHRTYCFOQ-UHFFFAOYSA-N 392.458 6.134 5 40 GKBB COc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 4906128 OIYABBAVGIYDCD-UHFFFAOYSA-N 399.406 5.071 5 40 GKBB CCCC(=O)Oc1cn([C@@H](C)CC)c2nc(CCC)n3c4ccccc4nc3c12 13237764 SUABSPZLDWQTLQ-HNNXBMFYSA-N 392.503 5.466 5 40 GKBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Oc1ccccc1 14412742 LADQNLWHPYCMHZ-MDWZMJQESA-N 394.814 5.692 5 40 GKBB Cc1ccc(-c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)cc1 20897691 RDFCFPNDKDOSHE-UHFFFAOYSA-N 386.411 5.232 5 40 GKBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225505804 GCLFUWXHDOSTIA-MRXNPFEDSA-N 382.460 5.223 5 40 GKBB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 33707834 QOYCVJZMPRTDCT-UHFFFAOYSA-N 394.258 5.144 5 40 GKBB Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c(C)c1 2221156 RTARSWLCEPGFKS-UHFFFAOYSA-N 395.422 5.161 5 40 GKBB CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1 3219074 DPUARMSPHMPMFB-UHFFFAOYSA-N 399.447 5.350 5 40 GKBB COc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(C)C 223270979 DTAHHKHSFVPXFW-ZDUSSCGKSA-N 390.867 5.180 5 40 GKBB CCCOc1ccccc1Cn1c2ccc(C)cc2c2nc3ccccc3nc21 2207335 RBTNFIJOADRVJA-UHFFFAOYSA-N 381.479 5.883 5 40 GKBB O=[N+]([O-])c1ccc(C[n+]2cc(-c3ccc4ccccc4n3)cc3ccccc32)cc1 4062567 VJRACKUGIMQVSW-UHFFFAOYSA-N 392.438 5.299 5 40 GKBB Cc1ccc(Sc2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2[N+](=O)[O-])cc1 6300582 MAFNQKJCGLUQSY-WEVVVXLNSA-N 397.412 5.429 5 40 GKBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 59459840 QYAHHNYQVPCDEK-ZSOIEALJSA-N 395.223 5.143 5 40 GKBB Cc1cc([N+](=O)[O-])cc2nc(-c3cccc4c(Br)cccc34)oc12 73639274 CKMMGVQKYNQWDO-UHFFFAOYSA-N 383.201 5.627 5 40 GKBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 103107269 YJJIXBKFIIGXBV-QHAWAJNXSA-N 377.827 5.628 5 40 GKBB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)cc1 104351293 RNTXUYUYRDQYCG-GPXOXTDOSA-N 384.479 6.189 5 40 GKBB CC(C)(C)C(=O)Oc1ccc(Sc2ccccc2[N+](=O)[O-])c2ccccc12 3191368 BJWOFTQDXXMDHT-UHFFFAOYSA-N 381.453 5.851 5 40 GKBB Cc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 408842034 HYFOQGSBSSRSHZ-RIYZIHGNSA-N 398.827 5.116 5 40 GKBB CCOc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 57315841 VKESTYJIUUOFIO-UHFFFAOYSA-N 376.821 5.114 5 40 GKBB O=C(c1ccccc1)c1ccc(NCCc2cccc3cccnc23)c([N+](=O)[O-])c1 14813638 NWLAWCSROSEHEQ-UHFFFAOYSA-N 397.434 5.029 5 40 GKBB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 3458569 LMDLVXBOMBDINL-UHFFFAOYSA-N 394.239 5.277 5 40 GKBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(C(C)(C)C)ccc4o3)sc2c1 57352621 KQYZTNITJCHGLD-UHFFFAOYSA-N 382.445 5.695 5 40 GKBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1c(C)cc(Cl)cc1Cl 72228864 URABGYMIDROIHS-UHFFFAOYSA-N 397.258 5.098 5 40 GKBB O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 1054274 JOHLTOJALMVBNG-UHFFFAOYSA-N 397.228 5.277 5 40 GKBB CC(C)N(C(=O)Cn1c2ccccc2c2nc3ccccc3nc21)c1ccccc1 1308697 VHPISHKBYJUHQG-UHFFFAOYSA-N 394.478 5.179 5 40 GKBB Cc1c2ccccc2c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc12 39557473 YJJLGSHPQPHDQT-UCQKPKSFSA-N 392.483 5.072 5 40 GKBB O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)c1 4970018 QTNWKEDOEXGPLR-UHFFFAOYSA-N 384.370 5.288 5 40 GKBB CCSc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4585854 YQKWZSCFFUODIX-UHFFFAOYSA-N 385.470 5.083 5 40 GKBB O=C(Nc1ccc(-c2ccccc2)cc1)c1cccc2nc3ccccc3nc12 5445518 FTFGKYJHKXNAFH-UHFFFAOYSA-N 375.431 5.702 5 40 GKBB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1 17078293 VXWLWICZTJLNBC-UHFFFAOYSA-N 383.451 5.790 5 40 GKBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccc(Cl)cc1Cl 33543222 KKLOATIPLRSFMB-UHFFFAOYSA-N 384.218 5.505 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccc(Cl)cc1)CO2 58088605 IZOZUNTVZXAVDS-UHFFFAOYSA-N 391.854 5.260 5 40 GKBB biogenic CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536306 TXTALWLOOINSDN-QGZVFWFLSA-N 396.487 5.613 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Sc1ccccc1)c1ccccc1 4614012 OFVQEEAFEUVLQP-LJQANCHMSA-N 398.871 5.720 5 40 GKBB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 4854052 VFNOCZDRPAHBAQ-VWNXMTODSA-N 399.450 5.320 5 40 GKBB CCCC(=O)Oc1cn(CC(C)C)c2nc(CCC)n3c4ccccc4nc3c12 13238023 SNXNLLHQPQKXIS-UHFFFAOYSA-N 392.503 5.151 5 40 GKBB Cc1cccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)c1 72229106 YTAKDJBPASBZOG-AWEZNQCLSA-N 387.867 5.188 5 40 GKBB CC(C)N(CSc1ccc([N+](=O)[O-])cc1)CSc1ccc([N+](=O)[O-])cc1 31670210 FLZJLCRNBZWOOP-UHFFFAOYSA-N 393.490 5.013 5 40 GKBB Cc1c(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cccc1[N+](=O)[O-] 40127405 LRNWVVBZFQXQKY-UHFFFAOYSA-N 393.490 5.311 5 40 GKBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccc(Cl)cc21 226362974 BNEHVOCDNYIQBD-UHFFFAOYSA-N 396.855 5.620 5 40 GKBB C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC2c3ccccc3C1c1ccccc12 825786 NLVZYFGMLODDHV-UBVWURDFSA-N 384.435 5.221 5 40 GKBB COc1ccccc1[C@H](Nc1cccc([N+](=O)[O-])c1)c1c(C)[nH]c2ccccc12 1298083 IJBXTSLHRXTUHJ-QHCPKHFHSA-N 387.439 5.595 5 40 GKBB C[N+]12CCCC[C@@H]1[C@H](COC(=O)C1(c3ccc(Cl)cc3)CCCC1)CCC2 4028511 SZNCVAKLPZTHKF-BBRSIGJESA-N 390.975 5.104 5 40 GKBB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)c(C)c1 5033216 PXOBJJSITBZKFS-UHFFFAOYSA-N 384.819 5.686 5 40 GKBB Cc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3Cl)nc2c1 4538211 AVKKSKWLIAFYEU-UHFFFAOYSA-N 397.774 5.210 5 40 GKBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 7156479 DEZSMVAXYMMCMH-JXMROGBWSA-N 382.828 6.288 5 40 GKBB Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)c2ccc(Cl)cc2)oc1C 89558285 AJIBUYGYKAKVNW-HNNXBMFYSA-N 399.878 5.616 5 40 GKBB O=[N+]([O-])c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 6328975 KPSYDOTWAWIAPE-UHFFFAOYSA-N 381.822 5.058 5 40 GKBB CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 8916115 KGZCYOYMNMQRMM-UHFFFAOYSA-N 378.428 5.154 5 40 GKBB O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 33733920 GTIXUBIMXNVBMP-UHFFFAOYSA-N 378.350 5.064 5 40 GKBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)c2ccccc2)c1 90541487 DWKRTZPRMPWYJW-UHFFFAOYSA-N 394.814 5.040 5 40 GKBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)cc1)N2 408997116 RGLJNDYRDJAPEM-HJNYFJLDSA-N 376.843 5.719 5 40 GKBB c1ccc(-c2nc3cc4ccccc4cc3nc2-c2csc3ccccc23)cc1 4769962 VOXATEIUCBISPU-UHFFFAOYSA-N 388.495 7.332 5 40 GKBB C[N+](C)(CCCCCCCCCC[N+](C)(C)C1CCCCC1)C1CCCCC1 4844160 SGGMCAZBAMVFQV-UHFFFAOYSA-N 394.732 6.925 5 40 GKBB COc1cc2c(cc1OC)[C@@H](Cc1c3ccccc3cc3ccccc13)N(C)CC2 1617791 PTMPOMSDCIQQOY-RUZDIDTESA-N 397.518 5.782 5 40 GKBB COc1cc(-c2nc3ccccc3s2)c([N+](=O)[O-])cc1OCc1ccccc1 8107550 FULPFQSFPOYETE-UHFFFAOYSA-N 392.436 5.459 5 40 GKBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1Cl 16346675 DBIWBPGYAKLQIZ-JXMROGBWSA-N 396.830 5.777 5 40 GKBB O=[N+]([O-])c1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716526 FJNDYZVORTVWMR-ZEQRLZLVSA-N 382.419 5.518 5 40 GKBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(Cl)cc1)CO2 2123389 CEFUJPXTZDGXKV-UHFFFAOYSA-N 377.827 5.265 5 40 GKBB biogenic O=[N+]([O-])c1cccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)o2)c1 12547143 IAGUZBDZVZRODM-UHFFFAOYSA-N 381.391 6.065 5 40 GKBB CC(C)(C)c1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 59475465 ZCHBAABHFPMRCL-UHFFFAOYSA-N 382.382 5.402 5 40 GKBB O=[N+]([O-])c1ccc(Nc2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 79060719 RCOKTVCSGGWXEY-UHFFFAOYSA-N 375.815 6.207 5 40 GKBB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 4033915 ACZIGGYVOAHYLP-UHFFFAOYSA-N 392.802 5.044 5 40 GKBB O=C(Nc1nc2ccc3ccccc3c2s1)c1cc(Cl)ccc1[N+](=O)[O-] 4072634 HGBCRPZKRWEAAM-UHFFFAOYSA-N 383.816 5.263 5 40 GKBB Cc1cc(C)c2nc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc(C)c2c1 6788648 WPTHMDZTISQVLG-HNNXBMFYSA-N 395.484 5.188 5 40 GKBB Cc1noc(/C=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1[N+](=O)[O-] 107859449 RIAKPGVXUGWUGM-DHZHZOJOSA-N 393.830 5.718 5 40 GKBB O=C(NCc1ccccc1)Nc1ccc2sc3nc4ccccc4nc3c2c1 408989075 GUSRJJFGCFCTBP-UHFFFAOYSA-N 384.464 5.319 5 40 GKBB CC(C)(C)CC(C)(C)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1808591 RTTRUMARNYGJHF-UHFFFAOYSA-N 389.879 6.181 5 40 GKBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1cc(Cl)cc(Cl)c1)C3 2122888 KNCZNPJLBPRWKU-UHFFFAOYSA-N 398.245 5.610 5 40 GKBB biogenic O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 4672934 GJEBBKLBAZOPJU-UHFFFAOYSA-N 383.787 5.046 5 40 GKBB Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 7061867 ALCUYQJTPLLODE-UHFFFAOYSA-N 389.436 5.491 5 40 GKBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2SCc2ccccc2)cc1 1446239 UGSUZEIEZRZRBB-UHFFFAOYSA-N 378.453 5.448 5 40 GKBB CC(=O)Nc1cc([N+](=O)[O-])c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1 3845217 BGPUPSNDBSILGU-QUMQEAAQSA-N 384.435 5.894 5 40 GKBB Cc1cc(C)c(C)c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 5506450 PSOFBQXOLRALDM-HNNXBMFYSA-N 383.473 5.732 5 40 GKBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 6598191 JFCXWWXNOYCUTA-UHFFFAOYSA-N 384.391 5.167 5 40 GKBB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 10157717 YWFLRCOZISTQRI-UHFFFAOYSA-N 386.835 5.099 5 40 GKBB O=[N+]([O-])c1cccc(CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 32778655 LDXSUBVGZWCSSC-UHFFFAOYSA-N 395.362 5.097 5 40 GKBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2Cl)cc1 8051486 STXKNPKDXGQJTK-UHFFFAOYSA-N 382.803 5.222 5 40 GKBB Cc1ccc(-[n+]2c(-c3ccc([N+](=O)[O-])cc3)cn3c4ccccc4ccc32)cc1 26441554 PSGJLUSGNOJFOT-UHFFFAOYSA-N 380.427 5.253 5 40 GKBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 225505838 GCLFUWXHDOSTIA-INIZCTEOSA-N 382.460 5.223 5 40 GKBB