smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 1118195 SDRUSLWZTNWSPT-UHFFFAOYSA-N 410.421 4.133 5 50 HIBA Cc1cccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 1125015 MFSTWMHUXKTTDC-UHFFFAOYSA-N 419.437 4.481 5 50 HIBA O=C(O)c1cc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(C(=O)O)c1 2942586 NWFLFNQFTAZYPQ-UHFFFAOYSA-N 422.349 4.036 5 50 HIBA O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3878784 GTMXKIRJACAAGM-UHFFFAOYSA-N 401.466 4.076 5 50 HIBA Cc1csc(-c2cccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3Cl)c2)n1 252500968 UAKFUFJGSOONED-UHFFFAOYSA-N 409.876 4.481 5 50 HIBA CCCCc1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 2984991 URJMQULIUNIVJG-UHFFFAOYSA-N 401.488 4.463 5 50 HIBA COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1[N+](=O)[O-] 4148325 LYCIRCIEXWSPOW-LBPRGKRZSA-N 416.455 4.275 5 50 HIBA O=c1/c(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)sc2nc3ccccc3n12 8427651 PZFJNXZDLJUKIM-ZDLGFXPLSA-N 423.837 4.279 5 50 HIBA CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 1157578 NJNOUBSTYQPHLK-UHFFFAOYSA-N 417.425 4.288 5 50 HIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 1165690 PNSVGZDSNSJICC-UHFFFAOYSA-N 416.842 4.333 5 50 HIBA O=C(Cc1ccccc1)N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 833043 LQTBXSUYGPMRRH-OAHLLOKOSA-N 403.649 4.029 5 50 HIBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1ccc(Cl)c(Cl)c1 14186183 LXTVPTBALTWFSX-UHFFFAOYSA-N 421.327 4.113 5 50 HIBA O=[N+]([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1 253424427 FWCUSWBRCWIQNM-UHFFFAOYSA-N 401.149 4.120 5 50 HIBA O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4983365 WNFJCHALKZKIFY-UHFFFAOYSA-N 408.227 4.349 5 50 HIBA O=[N+]([O-])c1ccc(N2C(=S)N3CCCN3[C@@H]2c2ccc(Br)cc2)cc1 8846710 DTKDZTRLCCSDEB-INIZCTEOSA-N 419.304 4.084 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 22238467 BDEVPPWNUIGZHY-XSFVSMFZSA-N 405.385 4.144 5 50 HIBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 242324484 ZBRVJKQVRZUXFZ-LDQXTDLNSA-N 403.438 4.257 5 50 HIBA COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c([N+](=O)[O-])cc1OC 6027193 JJHBCUWYVUJVSB-UHFFFAOYSA-N 401.382 4.252 5 50 HIBA COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccccc1[N+](=O)[O-] 17044394 UBVYAHIQEWAGGH-UHFFFAOYSA-N 403.394 4.086 5 50 HIBA O=[N+]([O-])c1ccc(N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1OC(F)F 225646019 NBGXRCNCXFYHKH-HNNXBMFYSA-N 403.385 4.125 5 50 HIBA O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 1711013 NPYZUPPARJCROL-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-] 19850188 UFHSVLNSUXQEGR-UHFFFAOYSA-N 415.493 4.451 5 50 HIBA Cc1c(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc2c1oc(=O)c1ccccc12 2840883 VSEGZZQDPDFQAM-UHFFFAOYSA-N 417.417 4.043 5 50 HIBA CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 2977986 RVQNLFVKRSINSD-IBGZPJMESA-N 423.454 4.003 5 50 HIBA CC(C)(C)CNc1cc(N2CCN(C(=O)c3cccs3)CC2)ccc1[N+](=O)[O-] 4740968 YZHNMKVOPZJAPS-UHFFFAOYSA-N 402.520 4.077 5 50 HIBA Cc1nc([N+](=O)[O-])c(Sc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1Cc1ccccc1 6460022 XKEXZAZXSQWNSI-UHFFFAOYSA-N 410.415 4.084 5 50 HIBA O=C(Sc1nnc(-c2cccc(Br)c2)o1)c1ccc([N+](=O)[O-])cc1 1212549 PDCAPMBBJLLDSD-UHFFFAOYSA-N 406.217 4.340 5 50 HIBA O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 1170455 LQEGXAPOPLGSBN-UHFFFAOYSA-N 408.254 4.159 5 50 HIBA O=C(Sc1nnc(-c2cccc(Br)c2)o1)c1cccc([N+](=O)[O-])c1 2987219 MADVFXPLVNRVPL-UHFFFAOYSA-N 406.217 4.340 5 50 HIBA N=c1n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl 19790045 UIVWGIHEWXLCLW-UHFFFAOYSA-N 420.856 4.415 5 50 HIBA aggregator Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 1110312 ZPHJORCZYCTRAW-UHFFFAOYSA-N 402.410 4.464 5 50 HIBA CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@@H](C)C2 17091502 UQDGMTLRYKLSND-GFCCVEGCSA-N 418.548 4.396 5 50 HIBA CC(C)c1ncc(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)s1 170617647 TYDDRFPNTNIOOI-UHFFFAOYSA-N 417.228 4.032 5 50 HIBA CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c1ccc1cc(OC)ccc12 4542221 GDOOIVAEDCHSJH-UHFFFAOYSA-N 418.405 4.417 5 50 HIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccc1N1CCCCC1 1127418 KUDWVJLPHAOWNZ-VAWYXSNFSA-N 410.499 4.112 5 50 HIBA Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2cccc([N+](=O)[O-])c2)cc1 3408081 KIAHWNOAOOJKRY-UHFFFAOYSA-N 403.438 4.070 5 50 HIBA O=C(COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 1155425 NPZORQDCVFDDGY-UHFFFAOYSA-N 422.368 4.026 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NC1CCN(Cc2ccccc2Br)CC1 4749436 BXSMGROAQRKZBC-UHFFFAOYSA-N 420.307 4.442 5 50 HIBA O=c1[nH]c(O)nc(/C=C/c2ccccc2Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 5049953 AJETZFQQWDWDNR-BJMVGYQFSA-N 401.831 4.359 5 50 HIBA COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)N2c1ccc(F)cc1 12445439 NTKWXHYILURPJR-FQEVSTJZSA-N 422.416 4.164 5 50 HIBA C[C@H]1CCc2c(sc3nc4c5ccccc5c(NC[C@@H]5CCCO5)nn4c(=O)c23)C1 632164 CXGZYKSYHLXTMN-KBPBESRZSA-N 420.538 4.173 5 50 HIBA COc1ccc(Br)cc1/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1OC 5093063 SYANLJIPZVBTOY-BAQGIRSFSA-N 407.220 4.026 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cccc(Cn2cc(Cl)cn2)c1 16345765 IWFFKQROHNPJFP-UHFFFAOYSA-N 417.878 4.311 5 50 HIBA COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1O 37209204 JBQCZFLSJFQVNB-NVNXTCNLSA-N 420.830 4.199 5 50 HIBA Cn1cc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(-c2cccs2)n1 486711831 NGJLMHUWWIIQHH-UHFFFAOYSA-N 410.377 4.006 5 50 HIBA CCOc1ccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c([N+](=O)[O-])c1 5021052 RJJAITSYEQQGPW-UHFFFAOYSA-N 418.446 4.442 5 50 HIBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 2102008 IILBZEFWYBGJBU-UHFFFAOYSA-N 401.306 4.066 5 50 HIBA Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 4109433 IVYRELNGHGBPDC-UHFFFAOYSA-N 400.774 4.251 5 50 HIBA CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 2979615 OZBYCLOXMDYRPK-UHFFFAOYSA-N 417.425 4.288 5 50 HIBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 2981873 JZMOXXBPHCLALN-UHFFFAOYSA-N 414.668 4.138 5 50 HIBA O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 4820272 NRLIDXFFUGLBKY-UHFFFAOYSA-N 401.422 4.440 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1Br 13880697 CBLXOFKOMIVAQD-UHFFFAOYSA-N 415.627 4.037 5 50 HIBA CCOc1ccc(NC(=O)Nc2nnc(COc3ccc([N+](=O)[O-])cc3)s2)cc1 17145690 IWNUYJPHPROOHL-UHFFFAOYSA-N 415.431 4.068 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(I)ccc1Cl 13602483 XYDOFKLCZQTGOL-UHFFFAOYSA-N 416.602 4.414 5 50 HIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1738930 ZYQYDMAEGZCUPD-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccccc4)n32)CO1 1060963 FZSSFTSLZMPCQN-UHFFFAOYSA-N 422.539 4.130 5 50 HIBA C[C@@H](Nc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-])c1ccccc1 4687439 AOEUOUVVHBEYDQ-QGZVFWFLSA-N 410.518 4.463 5 50 HIBA Cc1ccc(N[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 1232864 PRFGKAPGPVDBRI-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 4125009 IRGDXLJWFFEIIK-UHFFFAOYSA-N 414.481 4.154 5 50 HIBA COc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1 5048539 HQIYOZNTBWEABE-UHFFFAOYSA-N 400.394 4.466 5 50 HIBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CC[C@@H](C)C2 668448 ORULKKDBUFKXSB-SECBINFHSA-N 408.863 4.473 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CC12CC3CC(CC(C3)C1)C2 5063901 KMYFXULMQZLGFY-UHFFFAOYSA-N 403.504 4.023 5 50 HIBA O=C(Cc1ccccc1)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1232871 LBMXKOFQXSUZPV-OAHLLOKOSA-N 402.665 4.062 5 50 HIBA COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 2978379 MXYVDAYHDNCYDI-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NC2CCCCC2)cc1 1225495 DYIRRXXCXBLIRR-RCCKNPSSSA-N 407.470 4.123 5 50 HIBA O=C(c1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4663065 MXQIGPBFTPQUKJ-UHFFFAOYSA-N 416.481 4.285 5 50 HIBA O=C(c1cccc2ccccc12)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 1200149 GSAFIWMOHIFDIS-UHFFFAOYSA-N 418.478 4.320 5 50 HIBA O=[N+]([O-])c1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2cccc(C(F)(F)F)c2)cc1 1744540 XGUHZIQJPOZSPO-FQEVSTJZSA-N 420.411 4.264 5 50 HIBA CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccc([N+](=O)[O-])cc4)sc3nc2C1 4278981 NZNPWQPFPLIVOQ-UHFFFAOYSA-N 410.455 4.194 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(COc2ccccc2Br)o1 8863691 BFZUTSBEQUTYGY-UHFFFAOYSA-N 418.203 4.177 5 50 HIBA COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-] 1110833 PFYQLFIXHLFJMJ-UHFFFAOYSA-N 409.364 4.475 5 50 HIBA COc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 2880713 SMHGMZLJMBLEOX-UHFFFAOYSA-N 406.394 4.117 5 50 HIBA COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2O)cc1 12420705 YMLBAWUXCXIAQR-UHFFFAOYSA-N 423.381 4.064 5 50 HIBA Cc1cc([N+](=O)[O-])c(N2CCCC2)cc1NC(=S)NC(=O)c1ccccc1Cl 4185613 UYASTMZOITYBAK-UHFFFAOYSA-N 418.906 4.284 5 50 HIBA O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 855073 RWFGLXUMRGIXKX-LJQANCHMSA-N 400.481 4.184 5 50 HIBA C[C@H](OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1115589 GTIYHXXUZPUWOD-HNNXBMFYSA-N 411.435 4.346 5 50 HIBA Cc1oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2c1C(=O)c1ccc(Br)cc1 2268720 BLKKMZKDHSIEHD-UHFFFAOYSA-N 421.159 4.257 5 50 HIBA O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 5052556 ZZJXPEZIONXQAX-QPEQYQDCSA-N 407.607 4.355 5 50 HIBA O=C(Nc1ccc(I)cc1Cl)c1cccc([N+](=O)[O-])c1 1218412 UOCAUIYGDAMXAE-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA CCN(CC)c1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C 1111471 LYNJUIBJKYZGJT-UHFFFAOYSA-N 413.503 4.357 5 50 HIBA CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(Br)cc1 1122874 BNZMTVQUIIRFIM-KRWDZBQOSA-N 402.248 4.445 5 50 HIBA Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1[N+](=O)[O-] 1217870 GVJBCZMFJPOBNC-UHFFFAOYSA-N 416.602 4.414 5 50 HIBA O=[S@]12=Nc3cccc4c5c6c(cccc6c(c34)=C1CCC2)N=[S@]1(=O)CCCC=51 1848444186 SVNPYKHNZVWYDU-NSOVKSMOSA-N 406.532 4.023 5 50 HIBA O=C(CCSc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4749694 JBKTVZGJZSLPGS-UHFFFAOYSA-N 405.907 4.079 5 50 HIBA COc1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 1185777 PNZYBCVFULCOOT-UHFFFAOYSA-N 419.393 4.429 5 50 HIBA CCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OC 1193409 NFHGRSFIDOVQOZ-NVNXTCNLSA-N 402.790 4.000 5 50 HIBA O=[N+]([O-])c1cc(CS(=O)(=O)NCc2ccc(Oc3ccccc3)cc2F)cs1 2325874357 JZZPUYMJTZHALS-UHFFFAOYSA-N 422.459 4.207 5 50 HIBA Cc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] 1126546 FOURGNPLHHKPGW-WOJGMQOQSA-N 421.384 4.395 5 50 HIBA COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)ccc1O 4837305 BZWVJSBKDRWBTD-NTUHNPAUSA-N 415.405 4.179 5 50 HIBA O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 5717089 AETWDXSRWKQWNC-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 2999193 HNEGMOAUMXLLNH-UHFFFAOYSA-N 405.479 4.312 5 50 HIBA O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 19606441 SQEBFZZDTVBJMB-UHFFFAOYSA-N 418.453 4.415 5 50 HIBA CC[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 1217812 SQOMLHSFWIRSKC-VIFPVBQESA-N 407.879 4.176 5 50 HIBA O=[N+]([O-])c1ccc(N2CCCC2)cc1SCCOc1nonc1-c1ccccc1 5019313 PGKKIBMQIRTFEB-UHFFFAOYSA-N 412.471 4.416 5 50 HIBA Cc1ccc(C(C)C)c(OC(=O)CSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 959455 IOMVSUYZORNGES-UHFFFAOYSA-N 423.512 4.128 5 50 HIBA Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)cc1I 2856803 WWGLOCLPJRVSFQ-UHFFFAOYSA-N 410.211 4.377 5 50 HIBA CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 170629084 NTHZYBBBROFBDE-HNAYVOBHSA-N 415.440 4.395 5 50 HIBA O=C(c1ccc(Oc2cccc(F)c2)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 225608178 NDPRBXIPTJARRG-UHFFFAOYSA-N 410.405 4.200 5 50 HIBA Cc1cccc(NC(=O)c2ccn(COc3ccc([N+](=O)[O-])cc3Cl)n2)c1C 2798552 URKJPNMHKKOPJU-UHFFFAOYSA-N 400.822 4.350 5 50 HIBA COc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c([N+](=O)[O-])c1 4702881 YPTVOFODUSQPQM-UHFFFAOYSA-N 409.236 4.000 5 50 HIBA COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 5101861 ULCALJLIGBQGHJ-HMMYKYKNSA-N 417.421 4.013 5 50 HIBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1Cl 4740990 NBMZQHCERBTIMT-UHFFFAOYSA-N 414.893 4.093 5 50 HIBA O=C(Cc1ccccc1)N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 4839190 LQTBXSUYGPMRRH-HNNXBMFYSA-N 403.649 4.029 5 50 HIBA O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1 55292211 SSCIBZAMAIMIEH-UHFFFAOYSA-N 403.482 4.496 5 50 HIBA CC(=O)N(CCCn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21)C(C)=O 22589643 LZHUJEOYZXYROC-UHFFFAOYSA-N 404.426 4.036 5 50 HIBA Cc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 851254 WWYJROFKGNTVJB-AQTBWJFISA-N 407.451 4.374 5 50 HIBA CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-] 4740889 JRWQMLLPUKSQJK-UHFFFAOYSA-N 414.481 4.154 5 50 HIBA Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1128731 ICZDOVMLBQLBKF-UHFFFAOYSA-N 401.850 4.048 5 50 HIBA CC(=O)Nc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 1151459 METGKOYITXSUPP-UHFFFAOYSA-N 413.377 4.303 5 50 HIBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@@H](C)C2 943843 UGNRROYYFLMPMP-SECBINFHSA-N 408.863 4.473 5 50 HIBA O=C(Cc1ccccc1)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 4032051 OJYCRKQVGIMMPV-OAHLLOKOSA-N 402.665 4.062 5 50 HIBA CCc1c[nH]c(=O)n(-c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(Cl)c2)c1=O 5297366 YVAKMHBRAPIUHC-UHFFFAOYSA-N 422.224 4.096 5 50 HIBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 14257276 RLKYXKSPNGXWJV-UHFFFAOYSA-N 414.283 4.433 5 50 HIBA Cc1c(I)c(Br)cc(Br)c1[N+](=O)[O-] 36532858 VTLAOEOBCKOVNV-UHFFFAOYSA-N 420.826 4.033 5 50 HIBA O=C(COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 1153650 KRZSCNYOSPRJQV-UHFFFAOYSA-N 422.368 4.026 5 50 HIBA CCc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 1167355 RLOIKFHXCPRGDP-UHFFFAOYSA-N 401.426 4.452 5 50 HIBA COc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 1190138 HDRYWKMUNVTWHG-UHFFFAOYSA-N 408.410 4.443 5 50 HIBA CN(C)Cc1ccccc1NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 888098026 ABSLBMDOLZBSKE-UHFFFAOYSA-N 407.420 4.273 5 50 HIBA Cc1ccc(C2=N/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1[N+](=O)[O-] 13477527 XMXVNRHNYLSTNS-BOPFTXTBSA-N 419.349 4.416 5 50 HIBA Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 678698 ZBBOKSXIVSCENU-UHFFFAOYSA-N 408.277 4.101 5 50 HIBA O=c1c2ccc3c(=O)n4c5ccccc5nc4c4ccc(c2c34)c2nc3ccccc3n12 4552178 YMEPVPIIHONYLV-UHFFFAOYSA-N 412.408 4.344 5 50 HIBA COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1[N+](=O)[O-] 4148324 LYCIRCIEXWSPOW-GFCCVEGCSA-N 416.455 4.275 5 50 HIBA O=C(Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 4833606 DSTYOWUDGATIRC-UHFFFAOYSA-N 400.774 4.451 5 50 HIBA C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 12383810 KSAGMQGUJRTNNG-PSHYWGBRSA-N 424.456 4.028 5 50 HIBA COc1ccc2[nH]c(=O)c(-c3c4cn[nH]c4nc4c3oc3c(C)c(O)ccc34)cc2c1 217732103 QMOQOTUGIHFRLG-UHFFFAOYSA-N 412.405 4.388 5 50 HIBA biogenic Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 9601216 GBXAZJGBWZJDJM-UHFFFAOYSA-N 417.878 4.083 5 50 HIBA O=C(O)c1ccccc1C(=O)Nc1ccc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 19879096 NQGXDEPQWTUFMD-UHFFFAOYSA-N 422.353 4.197 5 50 HIBA O=C(Nc1cccc(I)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1170332 LXKJWZGMTCHYKL-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA O=C(c1ccccc1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4759498 KDPOQMZEMUHHFO-UHFFFAOYSA-N 415.493 4.342 5 50 HIBA CCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(OCC)c1 1192262 ZYPNDDPNBZYWTF-SXGWCWSVSA-N 416.817 4.390 5 50 HIBA O=C1C[C@H](c2ccccc2C(F)(F)F)c2c(-c3cccc([N+](=O)[O-])c3)n[nH]c2O1 4626313 ZGGQKNAEIGWHBS-CYBMUJFWSA-N 403.316 4.445 5 50 HIBA CN1CCN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(C(C)(C)C)cc3)c2)CC1 4719247 TUMAHXIHYVMANX-UHFFFAOYSA-N 412.534 4.135 5 50 HIBA CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 4844961 WALLFHIXCNKXKK-UHFFFAOYSA-N 411.568 4.134 5 50 HIBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)Nc1cccc(C(F)(F)F)c1 6974980 CCLQUHOHDSIURV-UHFFFAOYSA-N 423.376 4.130 5 50 HIBA Cc1cncc(CC(=O)N2Cc3ccccc3[C@H](Nc3cccc(F)c3[N+](=O)[O-])C2)c1 1875358784 JUSMHCFLLQWXOK-OAQYLSRUSA-N 420.444 4.175 5 50 HIBA C[C@H]1CCc2c(sc3nc4c5ccccc5c(NC[C@H]5CCCO5)nn4c(=O)c23)C1 632160 CXGZYKSYHLXTMN-UONOGXRCSA-N 420.538 4.173 5 50 HIBA O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1 1119932 SBHBJPFSFXQKFM-UHFFFAOYSA-N 423.816 4.400 5 50 HIBA O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1174751 LHEJNDDXHIPHTO-UHFFFAOYSA-N 418.906 4.365 5 50 HIBA O=[N+]([O-])/C(=C\c1ccc([N+](=O)[O-])cc1)CC/C(=C/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] 104151104 FGMRRTYPNHDBPB-WHYMJUELSA-N 414.330 4.219 5 50 HIBA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 1169708 RLSOXUNQHAXSTN-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 2796582 UWGAHWASRFEYGF-UHFFFAOYSA-N 402.357 4.002 5 50 HIBA CCOc1ccc(/C=C/c2c(N(C)C(C)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 4625494 BUKXBNRESXVMNH-SOFGYWHQSA-N 415.402 4.063 5 50 HIBA COc1ccc(O[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 22205050 GHSSTSBTIWNDOL-OAHLLOKOSA-N 419.648 4.109 5 50 HIBA COc1ccc(OC)c(C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 1228913 DROCSAGPABEYNM-UHFFFAOYSA-N 406.394 4.095 5 50 HIBA O=C(Nc1ccc(I)cc1Cl)c1ccccc1[N+](=O)[O-] 1217222 JVLJEEBPOPRNAQ-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c1 15856726 IMEAKVMGOUCXJY-UHFFFAOYSA-N 423.878 4.172 5 50 HIBA Cc1cccc(C(=O)NC(NC(=O)c2cccc(C)c2)c2cccc([N+](=O)[O-])c2)c1 5101231 CHSRNYZHEMCXMZ-UHFFFAOYSA-N 403.438 4.070 5 50 HIBA CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1147688 SUKOUNPRKFNTJC-SFHVURJKSA-N 414.849 4.132 5 50 HIBA CN(C)Cc1ccccc1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 888098931 YRXPCIOFYFDVDN-UHFFFAOYSA-N 407.420 4.273 5 50 HIBA O=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 1230966 BTYUEONGYNKCHG-CQSZACIVSA-N 406.628 4.272 5 50 HIBA Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3c2c1 653560 OICPUFFVXMGTIC-ODLFYWEKSA-N 417.446 4.242 5 50 HIBA COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)N2c1ccc(F)cc1 12445437 NTKWXHYILURPJR-HXUWFJFHSA-N 422.416 4.164 5 50 HIBA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4755019 JNERPHWRXQTBON-UHFFFAOYSA-N 408.439 4.247 5 50 HIBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1cccnc1 5958540 NPIPAYZMWFKLCB-UHFFFAOYSA-N 415.449 4.229 5 50 HIBA O=[N+]([O-])c1cc2c(cc1C1N(Cc3ccccc3)CCN1Cc1ccccc1)OCO2 19324084 ZUALOPHHOJXVHS-UHFFFAOYSA-N 417.465 4.340 5 50 HIBA Cc1ccc(F)c(NC(=O)c2ccn(COc3ccc([N+](=O)[O-])cc3Cl)n2)c1 2799104 GTNFENFDNJIYOG-UHFFFAOYSA-N 404.785 4.181 5 50 HIBA Cc1ccc(-c2noc([C@H](C)OC(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)cc1F 170616551 NGWJYNJFKONPHS-NSHDSACASA-N 403.341 4.458 5 50 HIBA COC(=O)c1ccc(C)c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)c1 676364 XZWZUNPAFIDICX-UHFFFAOYSA-N 424.409 4.423 5 50 HIBA O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(Cl)c1 1864144 KVIUEBDLFTZHBP-UHFFFAOYSA-N 418.887 4.499 5 50 HIBA O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1069616 VUCCWBOUZQUTRS-UHFFFAOYSA-N 421.438 4.166 5 50 HIBA Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc2ccccc2cc1O 1124892 ZRWBEBLXDGTABN-UHFFFAOYSA-N 420.450 4.224 5 50 HIBA Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cn1 477673020 KXADGVSQIITQNC-UHFFFAOYSA-N 412.424 4.473 5 50 HIBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 1139630 ULAJMCFOOHDTNQ-UHFFFAOYSA-N 400.394 4.493 5 50 HIBA COc1ccc(/C=C(/NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)Nc2ccccc2)cc1 1199265 IFUHRLIWNYYIAP-KGENOOAVSA-N 417.421 4.013 5 50 HIBA CCn1ncc(Br)c1C(=O)Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 2762981 XKHVERHOAJLRQV-UHFFFAOYSA-N 415.247 4.493 5 50 HIBA COc1ccc(N(CCC(C)C)C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cc1 1459823154 WSHPWASPZXNUMW-UHFFFAOYSA-N 414.458 4.458 5 50 HIBA O=C(NCCSc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)on1 1857800635 MSSBPWIOVUDFRS-UHFFFAOYSA-N 403.847 4.425 5 50 HIBA O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1 1170286 OTCSOKANNUJZSN-UHFFFAOYSA-N 414.668 4.138 5 50 HIBA COCCOc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC 6712868 UQKGGWVJWZLYPS-UHFFFAOYSA-N 400.438 4.360 5 50 HIBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 15822041 AFHNFJPTFHFZQT-UHFFFAOYSA-N 414.668 4.138 5 50 HIBA COc1cc(C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc(OC)c1OC 1124883 SOOKTGCKIZSTDQ-UHFFFAOYSA-N 420.417 4.500 5 50 HIBA biogenic CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 1208641 JPYJQJINSQQKAT-UHFFFAOYSA-N 405.410 4.498 5 50 HIBA Cc1cccc(C)c1OCc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])n1N 16381503 MEYVSKNDTBILCF-UHFFFAOYSA-N 419.894 4.042 5 50 HIBA COc1ccccc1C(=O)Oc1c([N+](=O)[O-])cc2c(c1Br)CCCC2 1112424 YOGAOGOVUYMFGL-UHFFFAOYSA-N 406.232 4.464 5 50 HIBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1Cl 1067631 ILAYUDNMDJONHU-UHFFFAOYSA-N 415.789 4.354 5 50 HIBA O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 4899462 JZPHGMKKKDRFSU-NRFANRHFSA-N 419.437 4.071 5 50 HIBA CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C)cc2[N+](=O)[O-])sc(C)c1C 2743209 DCSHLQCTBVPQCM-LBPRGKRZSA-N 406.460 4.164 5 50 HIBA COc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4056106 UOYXACYXHDZJTF-UHFFFAOYSA-N 409.236 4.164 5 50 HIBA O=C(CCCCCCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] 4499378 FJXYWWOYJFQEIO-UHFFFAOYSA-N 414.418 4.421 5 50 HIBA Cc1cc(-c2nc(-c3ccc(I)cc3)no2)ccc1[N+](=O)[O-] 1060114 ZJUBYJOLBXOXJG-UHFFFAOYSA-N 407.167 4.225 5 50 HIBA CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1C 4749103 ZPXOBMGTUPURQW-UHFFFAOYSA-N 401.400 4.049 5 50 HIBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 9072482 ZIHJJIKRDHNXMA-UHFFFAOYSA-N 417.878 4.257 5 50 HIBA O=[N+]([O-])c1ccc(CNc2nc3ccccc3n2CCCn2ccnc2)cc1Cl 170607194 LRBJFYFBTUZVMU-UHFFFAOYSA-N 410.865 4.497 5 50 HIBA O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 1185335 JCUVORMHQSRNIK-UHFFFAOYSA-N 402.410 4.276 5 50 HIBA C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nnc(SCn2cc([N+](=O)[O-])cn2)n1C 17090712 VHGCBENKLLFEID-ZDUSSCGKSA-N 416.507 4.107 5 50 HIBA CCOc1cc(C=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2766884 BCEPPPNBPIRMQB-UHFFFAOYSA-N 411.164 4.269 5 50 HIBA CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2899172 FMZYZGNBSCKVMO-UHFFFAOYSA-N 407.448 4.134 5 50 HIBA COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1[N+](=O)[O-] 4589041 WOJCXSBJWHDCEH-UHFFFAOYSA-N 405.410 4.416 5 50 HIBA CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(OCC)c1OCC 4689100 QBCGOYRUUSUVQF-UHFFFAOYSA-N 404.419 4.052 5 50 HIBA COCCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)(F)F)cc(C)c21 20607472 RSWBUYXAOPXOTC-UHFFFAOYSA-N 414.434 4.133 5 50 HIBA COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1154397 MPJROVCAFZOCPS-UHFFFAOYSA-N 401.802 4.431 5 50 HIBA CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746452 LLJIUHDFBJNHHZ-ZDUSSCGKSA-N 403.489 4.121 5 50 HIBA O=[N+]([O-])c1cc(-c2nnc(N3CCCCC3)c3ccccc23)ccc1N1CCOCC1 4172258 ZEZPPTNPUSUTKX-UHFFFAOYSA-N 419.485 4.032 5 50 HIBA CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2cnc(-c3cccs3)cc12 25623555 MMDWCUDUJZJMCL-UHFFFAOYSA-N 421.434 4.379 5 50 HIBA O=[N+]([O-])c1ccc(OCCOc2ccccc2/C=C2\SC(=S)N=C2O)cc1 16182873 FXRNFQGSMHPUCS-WJDWOHSUSA-N 402.453 4.382 5 50 HIBA O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)nc1 1158598 OZUBDKIROJPQGE-UHFFFAOYSA-N 405.439 4.301 5 50 HIBA COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1O 13497035 GABHEEZRVXPIJO-ZSOIEALJSA-N 406.803 4.203 5 50 HIBA COc1ccc(COC(=O)c2cc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] 918784673 SFGMIZOUFRJEPE-UHFFFAOYSA-N 405.204 4.204 5 50 HIBA CCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc2ccccc12 2821620 OOVSBCQRWBXERZ-JWGURIENSA-N 417.465 4.435 5 50 HIBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 4187798 WAPMURMSSUNZIS-UHFFFAOYSA-N 412.671 4.243 5 50 HIBA COc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 4387756 JFUSHZCJCCJIBT-UHFFFAOYSA-N 406.394 4.095 5 50 HIBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 1171276 DWOLTJFXZQAPQH-UHFFFAOYSA-N 414.270 4.427 5 50 HIBA COc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 1127031 GNXUJBUIASWRNL-UHFFFAOYSA-N 405.410 4.037 5 50 HIBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1Cl 2862213 PENBZPOHWKJWGW-UHFFFAOYSA-N 402.657 4.137 5 50 HIBA Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(Cc2cccc3ccccc23)CC1 1440644931 HXGNDIXPVNIQBR-UHFFFAOYSA-N 407.445 4.154 5 50 HIBA CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1C 2999967 ZDIFUEWUCYNNGX-UHFFFAOYSA-N 401.400 4.049 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1Cl 9715511 KDZDQXQSBJCXSL-UHFFFAOYSA-N 415.627 4.037 5 50 HIBA N=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)cc1Cl 328589807 HGEBJXVWNXOGQY-UHFFFAOYSA-N 424.649 4.239 5 50 HIBA Cc1ccc(-c2nc(NCc3ccco3)n(C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 4828363 GNCQQXQVMVASMK-UHFFFAOYSA-N 403.398 4.055 5 50 HIBA COc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1[N+](=O)[O-] 2763973 NBFAHMFVEZJYQK-UHFFFAOYSA-N 414.849 4.371 5 50 HIBA Cc1cccc(C(=O)N[C@@H](Oc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 5091967 WFGUNFOHHSHTJP-HNNXBMFYSA-N 403.649 4.408 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 9553916 CZCWIAXUZUTOMW-UHFFFAOYSA-N 421.478 4.249 5 50 HIBA COc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1 820594 JQBBFMZOFCUGLA-UHFFFAOYSA-N 421.409 4.117 5 50 HIBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C(C)=O)c1C 1068303 AEUKDHFBHXXWCK-UHFFFAOYSA-N 410.835 4.250 5 50 HIBA CCCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 2089603 JGZULIHWHNHUHH-DHZHZOJOSA-N 400.456 4.364 5 50 HIBA O=C1N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1 3003965 VKBLOPGWNGUKBE-BOPFTXTBSA-N 407.357 4.087 5 50 HIBA Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4575230 XKWUXJUEOYZLKW-UHFFFAOYSA-N 420.469 4.071 5 50 HIBA COc1ccc(Cl)cc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C 2796603 ZRCITYQEDACFLA-UHFFFAOYSA-N 414.849 4.371 5 50 HIBA NC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCCCC2 1200818 XAPDJTMAFKQQDW-UHFFFAOYSA-N 407.879 4.320 5 50 HIBA CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 1123367 BYXULTGFFUFKFW-KRWDZBQOSA-N 402.248 4.445 5 50 HIBA O=C(O)c1cc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(C(=O)O)c1 2929277 HRYNPYIWIYJMBQ-UHFFFAOYSA-N 422.349 4.036 5 50 HIBA Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 2985624 XFVDVIQVGJBMII-UHFFFAOYSA-N 412.442 4.055 5 50 HIBA Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1C 829488 KSAQQGGUVPUTNT-UHFFFAOYSA-N 415.405 4.265 5 50 HIBA Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1[N+](=O)[O-] 19759080 FJZPDGSOVGNVJO-UHFFFAOYSA-N 415.493 4.451 5 50 HIBA in-vitro Cc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c([N+](=O)[O-])c1 4814996 PJYWOJYMWWJJLA-UHFFFAOYSA-N 403.188 4.024 5 50 HIBA O=[S@]12=Nc3cccc4c5c6c(cccc6c(c34)=C1CCC2)N=[S@@]1(=O)CCCC=51 1848444185 SVNPYKHNZVWYDU-HNRBIFIRSA-N 406.532 4.023 5 50 HIBA O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 4158872 BPEOAIDGXHPDIH-AWEZNQCLSA-N 411.361 4.055 5 50 HIBA CC(=O)Nc1ccc(-c2nnc(SCc3c(Cl)cccc3[N+](=O)[O-])n2C)cc1 1143501 YUCLCUHOPCODKK-UHFFFAOYSA-N 417.878 4.294 5 50 HIBA CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O 22204880 UQRIICVNLMEYOM-CTNGQTDRSA-N 418.453 4.155 5 50 HIBA CCC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(N)=O)C1 996229 ZBTWZDBHAUKTIF-LBPRGKRZSA-N 401.488 4.221 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 13322869 NAWZFGKUEKGFAL-UHFFFAOYSA-N 412.490 4.077 5 50 HIBA O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1076604 JCPCBJRGLQYFPT-UHFFFAOYSA-N 402.819 4.030 5 50 HIBA Cc1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(Br)c1 951562 ZCRBMWVVHVUHJG-UHFFFAOYSA-N 422.260 4.293 5 50 HIBA Cc1cc(OC(=O)CNC(=O)OCc2ccccc2)cc2oc(=O)c3ccccc3c12 1158471 YCSGKVOBSMNJIM-UHFFFAOYSA-N 417.417 4.086 5 50 HIBA O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc([N+](=O)[O-])cc1 4158871 BPEOAIDGXHPDIH-CQSZACIVSA-N 411.361 4.055 5 50 HIBA Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 5682104 VNABWHXZLWCGHV-UHFFFAOYSA-N 405.366 4.295 5 50 HIBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc(OC)c1OC 253412017 PQOSJPJTVOEGEU-UHFFFAOYSA-N 405.410 4.266 5 50 HIBA biogenic CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 656214 NDEPVSJPEMSZHV-LBPRGKRZSA-N 402.472 4.139 5 50 HIBA C[C@](CO)(NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cc(Cl)cc(Cl)c1 2325827341 CMQJOWNGEPBWGO-MRXNPFEDSA-N 402.209 4.070 5 50 HIBA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 2303392 NJTAMMHKZBXUHQ-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1cc(OC)ccc12 2532656 JBPDYRHNUWMSLJ-UHFFFAOYSA-N 418.405 4.417 5 50 HIBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Br 2307317 MQNMSJXSZNIJKM-UHFFFAOYSA-N 414.668 4.138 5 50 HIBA Cc1nn(Cc2ccc(C(=O)NC3CCC(C(C)(C)C)CC3)o2)c(C)c1[N+](=O)[O-] 2782531 ZBFSSMVWAHUUQD-UHFFFAOYSA-N 402.495 4.384 5 50 HIBA Cc1cccc(C(=O)N[C@H](Oc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 1107778 RGGULARROOVJQR-OAHLLOKOSA-N 403.649 4.408 5 50 HIBA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1156644 WMCQPXWBLLSRSC-INIZCTEOSA-N 421.240 4.168 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 5091632 ZBOCIBOQHUPBHM-BBITVKMKSA-N 410.429 4.300 5 50 HIBA O=C(O)c1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 4427803 ZOMJAFZISWWVMJ-VGOFMYFVSA-N 413.389 4.163 5 50 HIBA O=C(COc1ccc2ccccc2c1Br)Oc1ccccc1[N+](=O)[O-] 674833 JFEAMIDVKFPIEA-UHFFFAOYSA-N 402.200 4.495 5 50 HIBA N=C(O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 328602377 BNBZIHLQYUWGRW-AWEZNQCLSA-N 409.421 4.187 5 50 HIBA Cc1cccc(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 837025 MCBINBGRNISDNM-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA O=C(CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1 1154014 UQMGNCKCBJPENN-UHFFFAOYSA-N 416.846 4.168 5 50 HIBA CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C(N)=O)C1 2739222 ZBTWZDBHAUKTIF-GFCCVEGCSA-N 401.488 4.221 5 50 HIBA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2982171 UKLDPNLNEDBIMU-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 1171358 CQQPCNWVLQTXEN-UHFFFAOYSA-N 413.377 4.139 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)o1 1208401 CPXDBMAIPWOZON-UHFFFAOYSA-N 407.426 4.252 5 50 HIBA O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCOCC2)cc1 1206245 GHWKSDFBCONNHP-ZRDIBKRKSA-N 419.437 4.343 5 50 HIBA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 4179322 XWUWJQFHHRAQMX-MOXGXCLJSA-N 419.474 4.105 5 50 HIBA biogenic O=C(CCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 4953743 AZGLHQBWSVKPSV-UHFFFAOYSA-N 414.418 4.421 5 50 HIBA Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NC2CCCCC2)cc1 4964767 DYIRRXXCXBLIRR-QNGOZBTKSA-N 407.470 4.123 5 50 HIBA COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 1208460 MSQMFMPDFFNQDD-UHFFFAOYSA-N 405.366 4.370 5 50 HIBA Cc1c([N+](=O)[O-])cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] 3001700 WTELRPCFLXNNIG-UHFFFAOYSA-N 420.381 4.316 5 50 HIBA CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3nc2C1 4278980 GVXPESKHHVTDNA-UHFFFAOYSA-N 410.455 4.194 5 50 HIBA Cc1ccc(C(=O)c2nccn2-c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 12447648 JFPVQVFDIPIVBE-UHFFFAOYSA-N 420.303 4.247 5 50 HIBA Cc1ccccc1CSc1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1 8917600 BZTBLIRUSLXHAO-UHFFFAOYSA-N 416.484 4.065 5 50 HIBA COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 943816 VQWLZFNYGGETEB-VIFPVBQESA-N 408.863 4.473 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(C)cc(Br)cc1C 955087 XTJXAJBDMMLXRG-UHFFFAOYSA-N 409.236 4.000 5 50 HIBA O=[N+]([O-])c1ccccc1/C=C/CN1CCC(O)(c2ccc(Br)cc2)CC1 4989051 NHEGMVLIJCVRIT-HWKANZROSA-N 417.303 4.354 5 50 HIBA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4996647 VXYTVVIREAOALK-RCCKNPSSSA-N 417.421 4.013 5 50 HIBA O=[N+]([O-])c1ccc2c(c1Nc1ccc(Br)cc1)=NC1(CCCCC1)N=2 100498693 TUMLUXWJAQPPMX-UHFFFAOYSA-N 401.264 4.014 5 50 HIBA COc1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 261494182 ROFLZBFYDADLQR-UHFFFAOYSA-N 404.488 4.127 5 50 HIBA O=C(N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 1230967 BTYUEONGYNKCHG-AWEZNQCLSA-N 406.628 4.272 5 50 HIBA Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 4978886 HZTMOVNDKZKLTH-UHFFFAOYSA-N 408.439 4.019 5 50 HIBA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 625828 DUIZSHBYYXFBMU-GOSISDBHSA-N 409.438 4.251 5 50 HIBA biogenic O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2nc3ccccc3n12 797362 SJFDQNOZVOSBOK-ZDLGFXPLSA-N 423.837 4.279 5 50 HIBA Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 1161178 JCIULVXSBJHXHQ-UHFFFAOYSA-N 412.405 4.351 5 50 HIBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CC[C@H](C)C2 943842 UGNRROYYFLMPMP-VIFPVBQESA-N 408.863 4.473 5 50 HIBA Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)c1 4663711 XPBKNAHKULWJSX-UHFFFAOYSA-N 420.469 4.071 5 50 HIBA Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1[N+](=O)[O-] 4958050 WVKFSUKZXFPNTD-UHFFFAOYSA-N 409.364 4.011 5 50 HIBA Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] 9591762 RFBROOAUPGZDOS-ZDUSSCGKSA-N 423.252 4.306 5 50 HIBA O=C(NC1CCCCCC1)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 1000930 IPCVMLIQCZWVMV-UHFFFAOYSA-N 421.295 4.055 5 50 HIBA O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1cccc([N+](=O)[O-])c1 9041693 DFGXIOIHJOIURX-OUKQBFOZSA-N 414.377 4.373 5 50 HIBA COc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 16227713 JANKJUCYQWYUMP-UHFFFAOYSA-N 421.478 4.249 5 50 HIBA Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)nc1 1113132 VDAIOZAVBQLKGS-FQEVSTJZSA-N 413.389 4.154 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 5015207 WMHUYRSVCBFNJZ-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5065576 JATYSKMEAHVSHL-KRWDZBQOSA-N 411.502 4.008 5 50 HIBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(OC(F)(F)F)cc1 1085849 VQOHEUQPYSWHBC-UHFFFAOYSA-N 412.349 4.101 5 50 HIBA O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 8853946 ZALRTEQKCKQROC-UHFFFAOYSA-N 421.438 4.166 5 50 HIBA CC(C)c1nc2n(n1)C[C@@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 170624882 PQTSMYHHHVKOLK-VIFPVBQESA-N 403.792 4.409 5 50 HIBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 657428 WPRYQXVRSDKXRE-UHFFFAOYSA-N 413.783 4.229 5 50 HIBA CCCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)F)n1 3877359 GVYPGJLXNYAPLZ-UHFFFAOYSA-N 414.388 4.457 5 50 HIBA biogenic C[C@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 4687385 MJSSEBUKKLNBQW-AWEZNQCLSA-N 419.323 4.282 5 50 HIBA CCCCc1ccc(OC(=O)CSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 1796625 JVNLUNYMHSBUMO-UHFFFAOYSA-N 423.512 4.039 5 50 HIBA COc1ccc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)cc1 40398730 UOIGKOOYAFUDGK-UHFFFAOYSA-N 423.472 4.315 5 50 HIBA O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1[N+](=O)[O-] 1076469 GYQJFVPSGFKIIO-UHFFFAOYSA-N 418.906 4.365 5 50 HIBA Cc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)c1 851252 LCUPIXMKBGZFKY-AQTBWJFISA-N 407.451 4.374 5 50 HIBA aggregator O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 5073102 TVXUTPSOSPMLLD-WCIBSUBMSA-N 403.373 4.120 5 50 HIBA Cc1c(C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 1120657 QMNYGUDCDJUBPI-UHFFFAOYSA-N 419.389 4.162 5 50 HIBA COc1cc(/C=C/c2cc(OC(C)=O)c3ccccc3n2)c(OC(C)=O)c([N+](=O)[O-])c1 8670888 ULCXTEUAQBVMFX-CMDGGOBGSA-N 422.393 4.173 5 50 HIBA Cc1cc2nc3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3c2cc1C 2915844 DXCLHFJVOPEQLC-JAIQZWGSSA-N 417.446 4.242 5 50 HIBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1 4575403 QVSVEVLRPNZISG-UHFFFAOYSA-N 420.469 4.071 5 50 HIBA aggregator O=C(OCc1ccccc1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1101604 VWJOFXYLRVHASM-IBGZPJMESA-N 409.467 4.431 5 50 HIBA COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3cccc(OC)c3)c2)c1 16225947 DJCYTZKKOURRJT-UHFFFAOYSA-N 421.409 4.117 5 50 HIBA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19790072 AIBHIUWCWFVWPF-UHFFFAOYSA-N 401.466 4.220 5 50 HIBA COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1)CC2 716120 LWUJDEMKGYHFRZ-QHCPKHFHSA-N 418.449 4.400 5 50 HIBA O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(Br)c1 2995811 CBXAFWNBWYMLGD-UHFFFAOYSA-N 419.153 4.394 5 50 HIBA Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccc([N+](=O)[O-])c1 1072222 LVYDWCHLXYSJFI-UHFFFAOYSA-N 407.348 4.256 5 50 HIBA biogenic,in-vitro O=[N+]([O-])c1ccc(N2C(=S)N3CCCN3[C@H]2c2ccc(Br)cc2)cc1 8846709 DTKDZTRLCCSDEB-MRXNPFEDSA-N 419.304 4.084 5 50 HIBA C[C@@H](OC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 878804 RSUJFVZQTYOESE-OAHLLOKOSA-N 418.405 4.275 5 50 HIBA CC(=O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 797253 PFGYNPFNBKVNPX-UHFFFAOYSA-N 412.423 4.391 5 50 HIBA O=C(Nc1ccccc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1135956 UABSNGCIBUDLIT-UHFFFAOYSA-N 416.842 4.333 5 50 HIBA O=C(c1c(Cl)ccc(F)c1F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 22033540 TUPZBRMIMQMQHE-UHFFFAOYSA-N 416.211 4.142 5 50 HIBA CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccc(C)c1 2837781 UCNCULCBBKCGMT-UHFFFAOYSA-N 411.487 4.221 5 50 HIBA O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 23114673 JPGMIOUDICSWLK-UHFFFAOYSA-N 418.453 4.415 5 50 HIBA CC(=O)Oc1ccccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 793761 WOWFTFNCSPBVJL-UHFFFAOYSA-N 418.361 4.113 5 50 HIBA NC(=O)c1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 2997965 MFJLGENVSCEPPK-UHFFFAOYSA-N 411.439 4.146 5 50 HIBA O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(-c3cccc([N+](=O)[O-])c3)n[nH]c2O1 4626312 ZGGQKNAEIGWHBS-ZDUSSCGKSA-N 403.316 4.445 5 50 HIBA O=C(CCC1CCCCC1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2830250 JGIQJXYSZHTLDJ-UHFFFAOYSA-N 423.516 4.183 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 5041515 KWDFSVSBILCRQB-UHFFFAOYSA-N 407.217 4.185 5 50 HIBA C[C@H](c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 12383808 KSAGMQGUJRTNNG-YYLWDLIKSA-N 424.456 4.028 5 50 HIBA COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1[N+](=O)[O-] 1229005 LIFPFSIPBUQECI-UHFFFAOYSA-N 405.410 4.416 5 50 HIBA Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 16247788 WZIDHXYQTSKYSJ-UHFFFAOYSA-N 421.247 4.128 5 50 HIBA Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 1171568 UOKDYBKVLJGPMJ-UHFFFAOYSA-N 408.277 4.101 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 9305409 JDKJOUBQDWIKEN-UHFFFAOYSA-N 417.878 4.083 5 50 HIBA O=c1c2c3nc4ccccc4nc3n(CCc3ccccc3)c2ncn1Cc1ccco1 8834548 BKDAOIAGBRRBDH-UHFFFAOYSA-N 421.460 4.178 5 50 HIBA Cc1ccc(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 837027 ZWBIPVNMBIHLFY-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 1772633294 PGBWGKCDCPZLHF-UHFFFAOYSA-N 412.427 4.040 5 50 HIBA C[C@@H](OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1 878801 BDBNIAFOHGLLAE-OAHLLOKOSA-N 418.405 4.275 5 50 HIBA CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccccc1C 2830714 XERFULSYGRKLDG-UHFFFAOYSA-N 411.487 4.221 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cc(Br)ccc2oc1=O 4183628 PIUKWKHHJAWLAW-UHFFFAOYSA-N 403.188 4.024 5 50 HIBA O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 1206298 SLLPLDYKIVCAMH-UHFFFAOYSA-N 411.780 4.374 5 50 HIBA COc1ccc(C(=O)COc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 1110325 FRZDMPCAJRGHTR-UHFFFAOYSA-N 406.394 4.117 5 50 HIBA CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 4653388 YWIYQROTISMJIR-OAHLLOKOSA-N 411.241 4.326 5 50 HIBA Cn1nccc1C(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 2766348 ZNXOGPQRPWMBMC-UHFFFAOYSA-N 411.468 4.342 5 50 HIBA COc1ccc(C2(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC 1162596 IHDHIJZTRNXHEI-KPKJPENVSA-N 410.470 4.253 5 50 HIBA CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 170629086 NTHZYBBBROFBDE-KXBFYZLASA-N 415.440 4.395 5 50 HIBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1I 16426776 CVGOQYAEUFUKQG-UHFFFAOYSA-N 417.586 4.210 5 50 HIBA CC(=O)Oc1ccccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 975843 YYQKOHCEJLALAW-UHFFFAOYSA-N 418.361 4.113 5 50 HIBA O=[N+]([O-])c1cccc([C@H](CO)Nc2nc3cc(Br)c(F)cc3s2)c1 2325849532 SGMMKEJYBFVQPU-ZDUSSCGKSA-N 412.240 4.252 5 50 HIBA O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 991287 FLZVAFSDJGYGMD-UHFFFAOYSA-N 406.781 4.280 5 50 HIBA CCOC(=O)c1c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 1140928 YRFAJIKEXLPCBF-LBPRGKRZSA-N 402.472 4.454 5 50 HIBA COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 2861843 NMFLNYNONCYVSP-UHFFFAOYSA-N 415.789 4.354 5 50 HIBA Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc([N+](=O)[O-])cc(C)c3F)n2)cc1F 170616550 NGWJYNJFKONPHS-LLVKDONJSA-N 403.341 4.458 5 50 HIBA CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 4078535 YVSNNKHHXRSVBU-UHFFFAOYSA-N 408.819 4.306 5 50 HIBA COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C(C)C)n2)cc1 2884730 HNGDODNODVROPQ-UHFFFAOYSA-N 410.430 4.013 5 50 HIBA COc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 1129822 ZFFUBOSSMKIUFP-UHFFFAOYSA-N 406.394 4.213 5 50 HIBA Cc1cccc(C(=O)N[C@H](Oc2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 5091963 WFGUNFOHHSHTJP-OAHLLOKOSA-N 403.649 4.408 5 50 HIBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1140378 YZAJREDQEQMEOS-UHFFFAOYSA-N 413.783 4.229 5 50 HIBA COc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)c([N+](=O)[O-])c1 4056352 KMMJQEFSFFKWRB-UHFFFAOYSA-N 409.236 4.000 5 50 HIBA COc1ccc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc1COC(C)=O 253403028 GWIMTGWVNNHGIU-UHFFFAOYSA-N 417.421 4.312 5 50 HIBA biogenic COc1ccc(O[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2OC)cc1 15304846 MOWWIWJKBDEMHS-YADHBBJMSA-N 420.421 4.148 5 50 HIBA C[C@@H]1CCc2c(sc3nc4c5ccccc5c(NC[C@H]5CCCO5)nn4c(=O)c23)C1 632161 CXGZYKSYHLXTMN-ZIAGYGMSSA-N 420.538 4.173 5 50 HIBA O=C(Nc1ccccc1Cl)c1cc(I)cc([N+](=O)[O-])c1 2852957 CRLJXRZDDMVYIG-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA CCc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 4809944 TXVNFXFLMJCULO-UHFFFAOYSA-N 407.392 4.138 5 50 HIBA Cn1c(-c2ccc(-c3ccccc3)cc2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N 334157532 HFPKUPREMZDJFU-UHFFFAOYSA-N 412.449 4.431 5 50 HIBA O=C(Nc1cccc(I)c1)c1cc([N+](=O)[O-])ccc1Cl 1167904 ORHMBDNTDIMDID-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA O=C(Oc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccccc1Cl 1230283 FXWXYPYYFLPYGI-UHFFFAOYSA-N 422.780 4.268 5 50 HIBA COc1ccc(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 939593 FVDOQPCRXYQGKD-HNNXBMFYSA-N 418.664 4.142 5 50 HIBA Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 16247162 SUHLNEJZDGCNDX-UHFFFAOYSA-N 420.421 4.201 5 50 HIBA O=C(C/N=c1/sc2ccccc2n1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 101123563 QRPXTKGFRMSQBJ-GHVJWSGMSA-N 417.446 4.083 5 50 HIBA Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4675870 OQJDKAYHBANYLV-UHFFFAOYSA-N 417.893 4.064 5 50 HIBA CC(C)Nc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 4740959 ALEMSVQNNLXPPC-UHFFFAOYSA-N 402.882 4.031 5 50 HIBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 19893047 ISFLJCWNGXMJQO-UHFFFAOYSA-N 401.466 4.142 5 50 HIBA O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 1158133 SQFWRNKGWOHYPQ-UHFFFAOYSA-N 405.479 4.312 5 50 HIBA CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 4311368 HQTSRCLUXKOYLF-SFHVURJKSA-N 410.455 4.333 5 50 HIBA CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc3cccc(c23)C1=O 4338262 CPRNUWATQQSHTL-FQEVSTJZSA-N 417.421 4.007 5 50 HIBA Cc1nn2c(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nnc2c2ccccc12 1114289 UFHHRZZGWUMDRO-UHFFFAOYSA-N 424.420 4.413 5 50 HIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2cc3ccccc3oc2=O)c1 2883477 CCNZXDSGOXEGTB-UHFFFAOYSA-N 416.389 4.386 5 50 HIBA O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663387 VEZZBUFRHNNVKX-UHFFFAOYSA-N 417.465 4.136 5 50 HIBA CCOC(=O)CN1C=C(c2ccc3ccccc3n2)[C@H](C[N+](=O)[O-])c2ccccc21 1087907 CZZFZPNFLWXKHZ-GOSISDBHSA-N 403.438 4.019 5 50 HIBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 4550658 SDEUHZQYTKNQNB-UHFFFAOYSA-N 411.314 4.421 5 50 HIBA C[C@H](OC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)c1ccccc1 1174845 XQUMQTNHPNSYMI-HNNXBMFYSA-N 418.405 4.275 5 50 HIBA COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccco1)[C@@H]3c1ccc([N+](=O)[O-])cc1 4751425 XFRIDSFTLUHJFU-JOCHJYFZSA-N 417.421 4.466 5 50 HIBA O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1ccc([N+](=O)[O-])cc1 4837569 OYBFHOUTALXJRV-WUXMJOGZSA-N 413.389 4.193 5 50 HIBA O=C(Nc1cccc(OC2CCCC2)c1)c1cc([N+](=O)[O-])ncc1Br 225502871 NYEHJDMENJJALM-UHFFFAOYSA-N 406.236 4.326 5 50 HIBA CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 170614906 WENGSDUHCMXYBR-AWEZNQCLSA-N 411.886 4.062 5 50 HIBA CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])sc2c1 9970944 XCKGGSWTKSGEIX-UHFFFAOYSA-N 419.484 4.343 5 50 HIBA COc1cccc(C(=O)COc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 1108972 AHQFAZSZCZGVNZ-UHFFFAOYSA-N 406.394 4.117 5 50 HIBA aggregator O=C(c1cccc([N+](=O)[O-])c1O)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 170593331 HRPOLCIKZXALAC-KRWDZBQOSA-N 408.414 4.108 5 50 HIBA CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 4894376 MLEFSBDWWKZQAT-AQTBWJFISA-N 405.435 4.459 5 50 HIBA O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 5059012 DRZBPMYYTQSIKM-QPEQYQDCSA-N 407.607 4.355 5 50 HIBA COc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 4857678 NCCYUFOJWSUFER-UHFFFAOYSA-N 411.465 4.407 5 50 HIBA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5065577 JATYSKMEAHVSHL-QGZVFWFLSA-N 411.502 4.008 5 50 HIBA CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1147691 SUKOUNPRKFNTJC-GOSISDBHSA-N 414.849 4.132 5 50 HIBA Cc1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)c1 5061764 PECKGECRJZFDDO-RCCKNPSSSA-N 401.422 4.313 5 50 HIBA COC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc([N+](=O)[O-])cc1 676073 QTPUCXQFGKJVFN-UHFFFAOYSA-N 412.423 4.127 5 50 HIBA CCc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1136052 UXUZBYAUSKBQJH-UHFFFAOYSA-N 410.451 4.242 5 50 HIBA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1156643 WMCQPXWBLLSRSC-MRXNPFEDSA-N 421.240 4.168 5 50 HIBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)c(Cl)c1 9235373 KMDMQBPSNMRDIC-UHFFFAOYSA-N 402.657 4.137 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 13331430 PCIVINYVGBSPLQ-UHFFFAOYSA-N 409.446 4.417 5 50 HIBA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(C)c(O)ccc23)cc2c1OCCO2 218261714 SGQGGKKRLAOFKK-UHFFFAOYSA-N 403.394 4.318 5 50 HIBA COC(=O)c1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2837766 LMCCBUWATCUOJW-UHFFFAOYSA-N 420.512 4.194 5 50 HIBA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O 22204877 UQRIICVNLMEYOM-FPOVZHCZSA-N 418.453 4.155 5 50 HIBA CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746453 LLJIUHDFBJNHHZ-CYBMUJFWSA-N 403.489 4.121 5 50 HIBA O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 1154129 VFUSSRTWOPGMKZ-OAHLLOKOSA-N 410.348 4.424 5 50 HIBA Cc1cccc(CSc2nnc(NC(=O)COc3ccc([N+](=O)[O-])cc3)s2)c1 2871997 PBCPHEUXTAOGAR-UHFFFAOYSA-N 416.484 4.065 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 2141256 UBSFTQAMTOYJFU-UHFFFAOYSA-N 411.650 4.364 5 50 HIBA Cc1nn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1Sc1ccc(Cl)cc1 834968 LNNYHQBHKSCDMA-UHFFFAOYSA-N 423.903 4.450 5 50 HIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(I)ccc1Cl 1150295 IUIXCQLNACPCND-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA Cc1ccc(-c2nc(NCc3ccco3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1 4827660 MLUNBIAXLRRGSB-UHFFFAOYSA-N 403.398 4.055 5 50 HIBA O=C1c2cccc3c(N4CCCCC4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 4949571 SBIRODUXUQEOOX-UHFFFAOYSA-N 417.421 4.245 5 50 HIBA CCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC 1193122 TWBGPVQNQSXDEN-ZSOIEALJSA-N 402.790 4.000 5 50 HIBA CSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1-2 4881906 YMUTXGSDVQOTNS-OAHLLOKOSA-N 401.835 4.325 5 50 HIBA CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1157534 SHWRECAIHPNGLK-SFHVURJKSA-N 414.849 4.132 5 50 HIBA COc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 1136158 BPCKRLHWVMLTCQ-UHFFFAOYSA-N 406.394 4.213 5 50 HIBA Cc1cccc(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 3118669 IYGLLOYXTDRWBF-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc([N+](=O)[O-])c1 950771 MCKCEQIYPOZIPS-AWEZNQCLSA-N 411.361 4.055 5 50 HIBA Cc1ccc(NC(=O)[C@@H](C)n2nc([N+](=O)[O-])c(Br)c2C)cc1Cl 2879323 XRFABGQXUQUZFB-SECBINFHSA-N 401.648 4.024 5 50 HIBA O=C1CCCc2oc3c(Cl)cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c21 8765717 YINRDBIFUINPQL-UHFFFAOYSA-N 420.830 4.314 5 50 HIBA COc1ccc(C2(CNC[C@@H](O)c3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC 4964885 YZANMXCJYWPQOY-HXUWFJFHSA-N 414.502 4.137 5 50 HIBA CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 3465395 WLMQCYCMQAVQBQ-UHFFFAOYSA-N 412.442 4.001 5 50 HIBA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccccc1[N+](=O)[O-] 221952740 LOQSLXVCCJSOJY-ZQPHNONSSA-N 406.866 4.043 5 50 HIBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(I)ccc1Cl 1219448 JLWBPWAZFUZAMA-UHFFFAOYSA-N 420.565 4.244 5 50 HIBA O=C(Cc1ccccc1)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 4032050 OJYCRKQVGIMMPV-HNNXBMFYSA-N 402.665 4.062 5 50 HIBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 170593332 HRPOLCIKZXALAC-QGZVFWFLSA-N 408.414 4.108 5 50 HIBA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O 22204872 UQRIICVNLMEYOM-PZJWPPBQSA-N 418.453 4.155 5 50 HIBA Cc1cc(Br)c([N+](=O)[O-])c(Br)c1I 36532872 XAKBUBRMTYWTSB-UHFFFAOYSA-N 420.826 4.033 5 50 HIBA CCCOP(=O)(OCCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 2333871 ANGXIHMCPZOKLG-UHFFFAOYSA-N 400.246 4.193 5 50 HIBA O=[N+]([O-])c1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCC3)o2)c1 3066725 AXAKGDYKYWAZDF-UHFFFAOYSA-N 413.455 4.073 5 50 HIBA Cc1cccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1[N+](=O)[O-] 170626995 RVZJDZPJHYXFDL-UHFFFAOYSA-N 406.360 4.056 5 50 HIBA COc1n[nH]c(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1[N+](=O)[O-] 8440459 NNSCNEJUQBWTDR-UHFFFAOYSA-N 414.230 4.009 5 50 HIBA COC(=O)c1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 942055 MHVOVRJQEFJWDI-UHFFFAOYSA-N 413.611 4.050 5 50 HIBA CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 4844578 UZGQXFUTGDSISR-UHFFFAOYSA-N 411.568 4.278 5 50 HIBA O=C(CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1)c1ccccc1 1153760 PUJBZDZFJGWCAD-UHFFFAOYSA-N 416.846 4.168 5 50 HIBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC=C(c2c[nH]c3ncccc23)CC1 444827739 JZJALKYWYKBJRH-UHFFFAOYSA-N 420.472 4.487 5 50 HIBA COC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 1116671 YJWGHENEOJKZIA-UHFFFAOYSA-N 402.472 4.283 5 50 HIBA COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 882000 SLRNKAKPBCSJEX-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA Cc1ccccc1N[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 837030 NLSVHQIFEFIUAB-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1157535 SHWRECAIHPNGLK-GOSISDBHSA-N 414.849 4.132 5 50 HIBA O=[N+]([O-])c1ccc(-c2nnc(SC[C@H](O)c3ccc(Br)cc3)o2)cc1 25579872 BQDCKOKCZWXMOX-AWEZNQCLSA-N 422.260 4.233 5 50 HIBA O=C1Nc2cc([N+](=O)[O-])ccc2NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 5948366 RRBANWVOPAFHKV-XABBQPORSA-N 411.417 4.009 5 50 HIBA Cc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1C 2064369 SVGFQJRNWOAVLK-UHFFFAOYSA-N 412.496 4.462 5 50 HIBA COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 14137190 WANUOHHVEWDOHH-UHFFFAOYSA-N 420.834 4.038 5 50 HIBA O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 1151423 VAGBRHPGQDFTDH-UHFFFAOYSA-N 413.783 4.229 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl 5101377 ASWVJGYUXDNXOH-LDADJPATSA-N 411.801 4.251 5 50 HIBA Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C1)CCCC2 225563368 CRPXXNHTOLJFRH-QGZVFWFLSA-N 410.518 4.363 5 50 HIBA COc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1196005 GORKWIJAJVVDKW-UHFFFAOYSA-N 400.412 4.197 5 50 HIBA Cc1c(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)n(-c2ccccc2)n1C 2853269 NQBHAQSJXLJXMS-UHFFFAOYSA-N 407.455 4.260 5 50 HIBA O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663304 KRGZPYONZRAXLJ-UHFFFAOYSA-N 401.875 4.425 5 50 HIBA Cc1cccc(N[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 1452524 KHAAMTBITQUKQP-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4047416 IIAQEBBGKWIPNQ-UHFFFAOYSA-N 403.438 4.350 5 50 HIBA COc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 4996705 TUTHPOTZTNWOJU-RCCKNPSSSA-N 417.421 4.013 5 50 HIBA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1184443 LUNCEDMVKGLOHN-UHFFFAOYSA-N 417.450 4.213 5 50 HIBA O=C(N/C(=C/c1ccccc1Cl)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 825105 NWWKFZVYDNBMQF-XMHGGMMESA-N 413.861 4.032 5 50 HIBA Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1Sc1ccc([N+](=O)[O-])cc1 1121741 TVQAWTSUZYMPAZ-UHFFFAOYSA-N 421.434 4.354 5 50 HIBA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 1173849 NYKDTNNROSKAHB-UHFFFAOYSA-N 417.425 4.206 5 50 HIBA CCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c3c(sc12)CCCC3 2352400 FYTJMGKOMPPSQF-UHFFFAOYSA-N 418.478 4.407 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 13331645 RLDPBKSYSHUVBP-UHFFFAOYSA-N 409.446 4.417 5 50 HIBA Cc1cc(Br)c(I)c(Br)c1[N+](=O)[O-] 36532881 VHRMPMPSCJDAPI-UHFFFAOYSA-N 420.826 4.033 5 50 HIBA O=[N+]([O-])c1ccc2[nH]ccc(=N[C@@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)c2c1 2325862200 MVIFZUQMSQBCJP-CQSZACIVSA-N 421.407 4.134 5 50 HIBA C[C@H](Nc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-])c1ccccc1 4687433 AOEUOUVVHBEYDQ-KRWDZBQOSA-N 410.518 4.463 5 50 HIBA CCCNC(=O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccccc1 2677458 XXJNTOLXGRPXOD-CYVLTUHYSA-N 419.437 4.152 5 50 HIBA CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 4653473 SVOFTTYNFKKIHB-HNNXBMFYSA-N 411.241 4.326 5 50 HIBA O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19831766 DRTNKASPUBAYLT-UHFFFAOYSA-N 415.493 4.071 5 50 HIBA CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1081651 KUTDWWQEGJIMMY-UHFFFAOYSA-N 405.410 4.498 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 5550038 GDMMOCSPAIPTEX-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc([N+](=O)[O-])c1 950772 MCKCEQIYPOZIPS-CQSZACIVSA-N 411.361 4.055 5 50 HIBA O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Br 2982243 OCGGWKYAINOQOG-UHFFFAOYSA-N 414.668 4.138 5 50 HIBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 9601740 AMARPOWRMXZVRJ-UHFFFAOYSA-N 422.510 4.231 5 50 HIBA CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 1174370 KYFIHIKEBYPREC-UHFFFAOYSA-N 414.270 4.427 5 50 HIBA Cc1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cccc1[N+](=O)[O-] 19759135 ILSGLDGCKFZOHZ-UHFFFAOYSA-N 415.493 4.451 5 50 HIBA CCOc1ccc(CNc2ncnc(NCc3ccc(OCC)cc3)c2[N+](=O)[O-])cc1 4596861 UQVQOSVDKQZTKG-UHFFFAOYSA-N 423.473 4.406 5 50 HIBA CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 8441622 GVCBULPDPRPDLJ-UHFFFAOYSA-N 422.470 4.029 5 50 HIBA CN(C)Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)cc1 435936410 MNSBEMUKSXXCRJ-UHFFFAOYSA-N 407.420 4.273 5 50 HIBA O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1ncnc2ccccc12 1089494 PABZOTXEXSHDNV-UHFFFAOYSA-N 420.273 4.456 5 50 HIBA COc1ccccc1N[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 837034 GDTSRVFYAOKCIP-HNNXBMFYSA-N 418.664 4.142 5 50 HIBA COc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 2865928 IVUDBRYISAMMKD-UHFFFAOYSA-N 419.393 4.429 5 50 HIBA COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1)CC2 716119 LWUJDEMKGYHFRZ-HSZRJFAPSA-N 418.449 4.400 5 50 HIBA CC(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc3cccc(c23)C1=O 4338268 CPRNUWATQQSHTL-HXUWFJFHSA-N 417.421 4.007 5 50 HIBA O=C(O)C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1cccc([N+](=O)[O-])c1 4653705 WBZZLPSIKRXNBE-CYBMUJFWSA-N 404.831 4.409 5 50 HIBA O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8443391 JYHXIQSZKGXGHA-UHFFFAOYSA-N 416.211 4.142 5 50 HIBA O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)NC12CC3CC(CC(C3)C1)C2 4694032 YNBMGAQTQPHCED-UHFFFAOYSA-N 412.515 4.162 5 50 HIBA O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]4O[C@@H](c5ccccc54)[C@H]32)c([N+](=O)[O-])c1 254707084 MUGRAYNVWBIOLK-TZIKIZTCSA-N 406.394 4.263 5 50 HIBA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4810766 GYTWCFINAHBGTC-UHFFFAOYSA-N 415.449 4.255 5 50 HIBA COc1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4Cl)nn23)cc1OC 221526532 GXOCBSZQRZJJQD-UHFFFAOYSA-N 417.834 4.099 5 50 HIBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccco1 8425348 UNFINCYLZQCZES-UHFFFAOYSA-N 424.281 4.482 5 50 HIBA Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1[N+](=O)[O-] 4786396 PQCDFDUQNJIILG-UHFFFAOYSA-N 408.439 4.019 5 50 HIBA O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-] 55529256 PPBCAQOJLLSIMU-UHFFFAOYSA-N 416.481 4.169 5 50 HIBA Cc1cccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 1135928 XRPFZEPCBMUDQK-UHFFFAOYSA-N 416.389 4.061 5 50 HIBA COc1ccccc1N[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 837032 GDTSRVFYAOKCIP-OAHLLOKOSA-N 418.664 4.142 5 50 HIBA CC[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2C(N)=O)C1 1217813 SQOMLHSFWIRSKC-SECBINFHSA-N 407.879 4.176 5 50 HIBA Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1 2764167 GPFINTQTURBHOI-UHFFFAOYSA-N 400.822 4.135 5 50 HIBA O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 2023535 LAGFHOQHQQLIID-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19789358 OQJVJQBGYOARAW-UHFFFAOYSA-N 401.466 4.220 5 50 HIBA O=C(Nc1ccc(I)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 1117287 BSJYMORMXGODRD-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2c3c(cccc13)CC2 1182506 BXTINENBWXUBTM-KPKJPENVSA-N 403.463 4.373 5 50 HIBA O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(Br)c3)s2)c([N+](=O)[O-])c1 2546755 CAZMDGFOJVZDLN-UHFFFAOYSA-N 407.205 4.451 5 50 HIBA Cn1c(-c2cccc([N+](=O)[O-])c2)cn(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N 334157646 XSJCUOLCEOBSJF-UHFFFAOYSA-N 405.241 4.071 5 50 HIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NCc1ccccc1 1157276 HHMMNMIIFCNVEG-BUHFOSPRSA-N 401.422 4.177 5 50 HIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1 942627 ILNBLTVYAOCRPP-UHFFFAOYSA-N 410.813 4.497 5 50 HIBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4543678 HXVCLLXOIWVIDL-UHFFFAOYSA-N 413.783 4.229 5 50 HIBA Cc1ccccc1N[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 1232863 XTLONIBWUAJJAK-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc([N+](=O)[O-])cc1 8397798 XIAOWSGJPRXENW-VGOFMYFVSA-N 414.377 4.373 5 50 HIBA O=C(Nc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1 22205998 WWGGLHZRBGLTAO-UHFFFAOYSA-N 422.349 4.036 5 50 HIBA COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ncccn2)cc1 101137498 XIGJVJMPAQVWBA-ATJXCDBQSA-N 405.439 4.145 5 50 HIBA COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1[N+](=O)[O-] 1166101 GQOLOYVMFAIUGW-UHFFFAOYSA-N 417.425 4.206 5 50 HIBA O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 2830686 ZVVNXVQCSNCTMV-UHFFFAOYSA-N 418.906 4.365 5 50 HIBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 55292310 INGDLTQFIFHEOG-UHFFFAOYSA-N 403.482 4.496 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 9260892 BWDRXRJBBWHRQZ-UHFFFAOYSA-N 423.454 4.176 5 50 HIBA Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 2836285 UGTSGNMLPXUJDM-UHFFFAOYSA-N 405.277 4.445 5 50 HIBA CCC(CC)[C@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCO1 225549258 UPEDDBGWKMJIBO-ZYHUDNBSSA-N 405.314 4.132 5 50 HIBA CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)cn1C 471252470 KBNSWAXBNQRJFF-UHFFFAOYSA-N 409.398 4.155 5 50 HIBA CCC[C@H]1CCc2c(sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C(N)=O)C1 1199990 WWUZEGMSIIDGCM-LBPRGKRZSA-N 401.488 4.221 5 50 HIBA CCc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1136586 VYFHSPAKSCATEK-UHFFFAOYSA-N 410.451 4.242 5 50 HIBA O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)c1 1195661 JIQNAVWNHXVANF-IBGZPJMESA-N 400.481 4.184 5 50 HIBA Cc1oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1C(=O)OC(C)C 8661042 VURWQJKABYVCFU-UHFFFAOYSA-N 418.427 4.015 5 50 HIBA COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])ccc1O 4866882 DKPBLSAUNIPHTE-ACCUITESSA-N 415.405 4.179 5 50 HIBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1NC(=O)c1ccccc1 741780 RAHPEUAGVOBMQF-UHFFFAOYSA-N 421.409 4.117 5 50 HIBA Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 1069550 RFQHESRODRFROY-MRVPVSSYSA-N 421.173 4.081 5 50 HIBA CC(C)c1nc2n(n1)C[C@H](Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])CC2 170624881 PQTSMYHHHVKOLK-SECBINFHSA-N 403.792 4.409 5 50 HIBA CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(Br)cc1 1122873 BNZMTVQUIIRFIM-QGZVFWFLSA-N 402.248 4.445 5 50 HIBA O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4901185 DPFFVNYRZKCMNU-UHFFFAOYSA-N 415.493 4.466 5 50 HIBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 242324486 ZBRVJKQVRZUXFZ-SCWSEQNSSA-N 403.438 4.257 5 50 HIBA O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 1154645 PDPANQSBJIEZHQ-OAHLLOKOSA-N 410.348 4.424 5 50 HIBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 1186149 OWCOBRWDDFXXFN-UHFFFAOYSA-N 405.366 4.126 5 50 HIBA Nc1nc(CSc2nnc(Cc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cs1 16381900 VTMRQQKWOASYPP-UHFFFAOYSA-N 424.511 4.097 5 50 HIBA COc1ccccc1N[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 1232867 HPMUSYZRTHHXFT-HNNXBMFYSA-N 418.664 4.142 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1Br 1131669 MZHXXNVUXMNMKL-UHFFFAOYSA-N 415.627 4.037 5 50 HIBA O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1182086 REQKFNDARKIEKV-UHFFFAOYSA-N 406.423 4.411 5 50 HIBA CCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 4695165 RBKMPVBXWCRVQQ-WOJGMQOQSA-N 414.439 4.239 5 50 HIBA CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc23)C1 5030733 KNMVYRJVXLHLER-UHFFFAOYSA-N 414.439 4.297 5 50 HIBA Cc1nc(C)c([C@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)s1 229569513 ZMTMSIFVXABXNW-OCCSQVGLSA-N 402.520 4.395 5 50 HIBA CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1C[C@@H](C)CC2 1204636 DYFTVFJHLUMUDE-NSHDSACASA-N 418.471 4.219 5 50 HIBA Cc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c(F)cc1[N+](=O)[O-] 4498438 DNKOJMPPJMTAOQ-UHFFFAOYSA-N 412.248 4.312 5 50 HIBA O=C(Nc1ccccc1[N+](=O)[O-])c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 6829701 DZWQKKKNFHVRSN-UHFFFAOYSA-N 409.352 4.494 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCN(c2ncnc3sccc23)C1 744359558 CRFATZGTNHUKKB-LLVKDONJSA-N 417.878 4.108 5 50 HIBA O=C(CNC(=O)c1ccccc1)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2871292 AGYOCKYSXZUCKG-UHFFFAOYSA-N 422.462 4.219 5 50 HIBA O=C(Nc1cccc2ccccc12)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 13143919 LROBFHPBTYYNBE-IWENEADUSA-N 417.469 4.274 5 50 HIBA O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc([N+](=O)[O-])c1 6511816 KWOJRTPZWQLUCJ-UHFFFAOYSA-N 403.769 4.394 5 50 HIBA O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1ccc([N+](=O)[O-])cc1 8837058 DJBQYQHDKDPMIA-UHFFFAOYSA-N 420.244 4.382 5 50 HIBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1 16347459 IZTDQMODPCVVOA-UHFFFAOYSA-N 418.862 4.261 5 50 HIBA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2cnc3cc(Cl)ccc3c12 25581614 HGHQUQZWXYNZDU-UHFFFAOYSA-N 423.812 4.457 5 50 HIBA CN(Cc1ccccc1)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 19316157 OCDLRDGJEPIQQN-MRXNPFEDSA-N 416.692 4.153 5 50 HIBA Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1134168 KUCNEKSQHWIXMT-UHFFFAOYSA-N 401.850 4.048 5 50 HIBA Cc1ccc(S(=O)(=O)NC[C@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1203216 VUJSTRXEYHMUMK-NRFANRHFSA-N 412.467 4.002 5 50 HIBA Cc1ccc(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 837029 ZWBIPVNMBIHLFY-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA CCCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 2764044 OIEOGOUDFOOSAV-VQHVLOKHSA-N 404.444 4.347 5 50 HIBA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 921010 RCXSBEKBQYBBEU-LBPRGKRZSA-N 401.488 4.159 5 50 HIBA O=[N+]([O-])c1ccc(N2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1OC(F)F 225646052 NBGXRCNCXFYHKH-OAHLLOKOSA-N 403.385 4.125 5 50 HIBA O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4551363 MTBCIDVWVATLFB-UHFFFAOYSA-N 413.783 4.229 5 50 HIBA Cc1onc(-c2ccccc2)c1C(=O)NCCNc1c(Cl)cccc1[N+](=O)[O-] 4565291 HGCPSKVQCWAEJH-UHFFFAOYSA-N 400.822 4.054 5 50 HIBA O=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1Cc1cccc([N+](=O)[O-])c1 13940650 FYRINRZUCIPVDP-OMCISZLKSA-N 418.814 4.213 5 50 HIBA COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc([N+](=O)[O-])c1OC(C)=O 12380042 QHODNIQXUVWFHX-VQHVLOKHSA-N 422.393 4.173 5 50 HIBA CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2Br)CC1 38537195 XHXMEPDDTAZFPG-UHFFFAOYSA-N 401.257 4.136 5 50 HIBA COc1cc2ccc3c(CCN(C)C(=O)C4CC4)cc(OC)c(OC)c3c2cc1OC 263586491 UZJOMIZFIZQYPX-UHFFFAOYSA-N 423.509 4.438 5 50 HIBA biogenic CCC(CC)[C@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCO1 225549194 UPEDDBGWKMJIBO-CMPLNLGQSA-N 405.314 4.132 5 50 HIBA COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 657197 XNLXJNJQPZBCED-UHFFFAOYSA-N 414.414 4.430 5 50 HIBA CC(C)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-n2nc3ccccc3n2)cc1 1432128 PGBXPSNQUVBRRL-UHFFFAOYSA-N 401.426 4.384 5 50 HIBA C[C@H](OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1 878799 BDBNIAFOHGLLAE-HNNXBMFYSA-N 418.405 4.275 5 50 HIBA COc1ccc(O[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 22205052 GHSSTSBTIWNDOL-HNNXBMFYSA-N 419.648 4.109 5 50 HIBA COc1ccc(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 1452529 KJGKZPUXKLQNPK-HNNXBMFYSA-N 418.664 4.142 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cc(Br)cc1C 4056350 MUKZLXNEMCYSPX-UHFFFAOYSA-N 409.236 4.000 5 50 HIBA Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])cccc1-c1nc2ncccc2o1 1206054 KMTOWPJPYXTFLF-UHFFFAOYSA-N 404.382 4.124 5 50 HIBA Cc1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1[N+](=O)[O-] 13882165 YUKCPSYYJZSDEQ-LWYUSKRHSA-N 415.881 4.082 5 50 HIBA O=C(NC[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 1426750 PAODHJAHSLKMKE-FQEVSTJZSA-N 402.406 4.334 5 50 HIBA O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccc([N+](=O)[O-])cc1 1057974 DIDHBOHMOWHDMG-UHFFFAOYSA-N 410.411 4.063 5 50 HIBA O=C(OCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 2534634 RPOYUIJARUWMLS-UHFFFAOYSA-N 408.366 4.439 5 50 HIBA COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 971856 SCICTLSTBMNBSL-UHFFFAOYSA-N 417.425 4.206 5 50 HIBA Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1C 1197796 BMJBGBUMYXZATO-UHFFFAOYSA-N 400.390 4.243 5 50 HIBA Cc1cc2nc3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n3c2cc1C 1198390 ZTUQPGQGWKQVRJ-JAIQZWGSSA-N 417.446 4.242 5 50 HIBA O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 1173122 ZLUYTQSSGPXBPC-UHFFFAOYSA-N 418.906 4.365 5 50 HIBA O=C(Nc1ccc(F)cc1F)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 2798576 CEOPYIPYZLTCIH-UHFFFAOYSA-N 408.748 4.012 5 50 HIBA Cc1ccc(CSc2nnc(NC(=O)COc3ccc([N+](=O)[O-])cc3)s2)cc1 2835139 BDKUVDZGIKHMSP-UHFFFAOYSA-N 416.484 4.065 5 50 HIBA Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1I 675389 LOHKDEBTODZMHA-UHFFFAOYSA-N 416.602 4.414 5 50 HIBA C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 12383687 FVMJZXCEFISPLW-VIFPVBQESA-N 419.684 4.050 5 50 HIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 16448159 WGENZXQFQCQQRA-UHFFFAOYSA-N 424.800 4.469 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)o1 16265313 ADZDALFTWZPTJJ-ODLFYWEKSA-N 421.384 4.395 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4420537 LYTXPHIIIZQKMO-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 55529498 BVCLOAUIDSNILR-UHFFFAOYSA-N 416.481 4.169 5 50 HIBA O=[S@@]12=Nc3cccc4c5c6c(cccc6c(c34)=C1CCC2)N=[S@@]1(=O)CCCC=51 1848444187 SVNPYKHNZVWYDU-VSGBNLITSA-N 406.532 4.023 5 50 HIBA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(COc2ccccc2[N+](=O)[O-])n1 2800081 MCVVUSGHTRDJOO-UHFFFAOYSA-N 407.213 4.387 5 50 HIBA O=C(O)c1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 4805679 SFDYASXFGZGOKV-JLHYYAGUSA-N 413.389 4.163 5 50 HIBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 1129855 MWOYGANNWMEMNH-BJMVGYQFSA-N 400.847 4.342 5 50 HIBA O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1cccc([N+](=O)[O-])c1 4503295 NCFUFYBSXDUVDN-PKNBQFBNSA-N 413.389 4.193 5 50 HIBA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 17087527 WEXTWIDLXOUFBM-HNNXBMFYSA-N 406.866 4.249 5 50 HIBA O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1Cl 1227343 PUFXLMJNPWQMGF-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 1180488 NKTZYYHZFOGORK-UHFFFAOYSA-N 408.277 4.101 5 50 HIBA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1217273 JDSHXGIXDRPFMN-UHFFFAOYSA-N 417.446 4.269 5 50 HIBA Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 5061424 DLZKXKGRWYRGIL-KGENOOAVSA-N 401.422 4.313 5 50 HIBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 2952675 WARFUQGREMQYEF-UHFFFAOYSA-N 415.383 4.096 5 50 HIBA CC(C)(C)OC(=O)N1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 204216872 RRLWAYVISDZNSJ-UHFFFAOYSA-N 400.273 4.169 5 50 HIBA O=[N+]([O-])c1cc(C(c2ccc(O)c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)ccc1O 3129722 JKRAQDSEBALHRP-UHFFFAOYSA-N 407.593 4.416 5 50 HIBA CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 1209656 YQZHYUJVFHKDPA-UHFFFAOYSA-N 417.425 4.288 5 50 HIBA Cc1c(OC(=O)CNC(=O)OCc2ccccc2)ccc2c1oc(=O)c1ccccc12 4077416 NURQFRDYEQWIAX-UHFFFAOYSA-N 417.417 4.086 5 50 HIBA Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)c1 4998409 VDBJAZJPFAVLKH-UHFFFAOYSA-N 407.392 4.193 5 50 HIBA CCOc1ccccc1-c1n[nH]c(SCc2ccc(OCC)c([N+](=O)[O-])c2)n1 6573754 NAEXIJGNQVBQAG-UHFFFAOYSA-N 400.460 4.470 5 50 HIBA O=C(c1cccc([N+](=O)[O-])c1)c1sc2nccc3c2c1nnn3Cc1ccccc1 8453973 UJUFTFFYIVXSCG-UHFFFAOYSA-N 415.434 4.229 5 50 HIBA COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1056423 WDTIEMDXZQITCH-UHFFFAOYSA-N 412.423 4.371 5 50 HIBA Cc1c(Cc2ccccc2)sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C(N)=O 840974 DEKXWIOLYDXAJE-ZHACJKMWSA-N 421.478 4.306 5 50 HIBA O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19787405 FQGXQLYPCXVRAC-UHFFFAOYSA-N 415.493 4.071 5 50 HIBA O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4457751 LZHMDSBVLUNWER-UHFFFAOYSA-N 415.449 4.181 5 50 HIBA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 12319013 XWUWJQFHHRAQMX-BPAFIMBUSA-N 419.474 4.105 5 50 HIBA biogenic Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 1174083 KBSWJMALUZDFBW-UHFFFAOYSA-N 418.405 4.195 5 50 HIBA Cc1ccccc1C(=O)N[C@@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 1232851 ASXWHOUPKMFTPE-HNNXBMFYSA-N 403.649 4.408 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1I 4819778 UKCVXTNVAUFOPM-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1[N+](=O)[O-] 4828727 BJHIWPVXVCPBSW-UHFFFAOYSA-N 401.378 4.324 5 50 HIBA C[C@@](CO)(NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cc(Cl)cc(Cl)c1 2325827340 CMQJOWNGEPBWGO-INIZCTEOSA-N 402.209 4.070 5 50 HIBA CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl 1172180 PYBVUUBUYPHULX-UHFFFAOYSA-N 414.270 4.427 5 50 HIBA COc1ccc(N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 939592 FVDOQPCRXYQGKD-OAHLLOKOSA-N 418.664 4.142 5 50 HIBA Cc1ccccc1C(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 1150466 OTZXGMZFSDXUGL-RCCKNPSSSA-N 401.422 4.313 5 50 HIBA CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 4653387 YWIYQROTISMJIR-HNNXBMFYSA-N 411.241 4.326 5 50 HIBA CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2s1 4810795 KMKLQSLTOWYRJF-UHFFFAOYSA-N 414.443 4.204 5 50 HIBA CCc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 4810778 QXXQOSPDDYAXDD-UHFFFAOYSA-N 412.515 4.274 5 50 HIBA COc1ccccc1N[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 1232866 HPMUSYZRTHHXFT-OAHLLOKOSA-N 418.664 4.142 5 50 HIBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 4409206 RKIDKRAMQYGYFM-UHFFFAOYSA-N 416.481 4.169 5 50 HIBA CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 4703754 DGCBCCRMKHYMOE-UHFFFAOYSA-N 422.529 4.110 5 50 HIBA COc1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 5065262 WKABEAQZQVVIRJ-UHFFFAOYSA-N 403.504 4.023 5 50 HIBA Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 4701995 VAOVQUBFLDMZGR-UHFFFAOYSA-N 418.833 4.010 5 50 HIBA CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1[N+](=O)[O-] 1164653 CBZWMTVBEPVPAI-UHFFFAOYSA-N 404.382 4.449 5 50 HIBA O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 2816334 SYIWZNRYEYUCNA-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 13522297 PADTZIJWSMJYJO-AUWJEWJLSA-N 406.803 4.203 5 50 HIBA O=C(O)C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1cccc([N+](=O)[O-])c1 4653704 WBZZLPSIKRXNBE-ZDUSSCGKSA-N 404.831 4.409 5 50 HIBA O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c(Cl)c1 4687605 BEFRGOUBCLLNFV-UHFFFAOYSA-N 413.821 4.031 5 50 HIBA NC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 999992 QFDONCOYBCDEGL-UHFFFAOYSA-N 401.831 4.328 5 50 HIBA COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1[N+](=O)[O-] 1209798 PIJIGAKMYYDJFC-UHFFFAOYSA-N 405.366 4.370 5 50 HIBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCO2 2890908 VIQZCFJURUTRJE-UHFFFAOYSA-N 400.437 4.422 5 50 HIBA Nc1ccc(C(c2ccc(N)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] 8926456 KPPDNXBRICFWLV-UHFFFAOYSA-N 424.257 4.078 5 50 HIBA C[C@@H]1CCc2c(sc3nc4c5ccccc5c(NC[C@@H]5CCCO5)nn4c(=O)c23)C1 632165 CXGZYKSYHLXTMN-KGLIPLIRSA-N 420.538 4.173 5 50 HIBA COc1ccc(C(=S)N2CCCC2)cc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1163613 ZXEGUSRKVPQTNW-UHFFFAOYSA-N 420.874 4.247 5 50 HIBA Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])cc1 22077894 DOSNUNYVPBCSLT-QFIPXVFZSA-N 414.469 4.100 5 50 HIBA Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC2CCC2)nc1 2325862408 SSYLRAQNUSXZIF-UHFFFAOYSA-N 405.252 4.277 5 50 HIBA COc1ccc([N+](=O)[O-])cc1CSc1nnc(NC(=O)c2cccc(C)c2)s1 2837005 XUCMHKLQTQRSSU-UHFFFAOYSA-N 416.484 4.308 5 50 HIBA CN(Cc1ccccc1)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 13562197 OCDLRDGJEPIQQN-INIZCTEOSA-N 416.692 4.153 5 50 HIBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 1178297 BPQMVRZTECOQAP-UHFFFAOYSA-N 416.393 4.329 5 50 HIBA COc1ccc(C(=O)N[C@H](Oc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 3091901 VWNWEJHPNVYTBA-OAHLLOKOSA-N 419.648 4.109 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 5042035 HBANLPYFXSJUPI-UHFFFAOYSA-N 414.487 4.038 5 50 HIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(N2C(=O)c3ccccc3C2=O)ccc1Cl 1088920 KKCIQXVKUOFZCS-UHFFFAOYSA-N 421.796 4.301 5 50 HIBA O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1Cl 1230822 PIWSZIUVPCZCDM-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA COc1ccccc1OCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 4342347 LIFZAIYCCPONFW-UHFFFAOYSA-N 409.236 4.164 5 50 HIBA CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 667696 YCSYKAXXIALNOM-DHZHZOJOSA-N 400.456 4.362 5 50 HIBA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 12319016 XWUWJQFHHRAQMX-ZTNFWEORSA-N 419.474 4.105 5 50 HIBA biogenic COc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1139835 CYXGPGCRWUWXJB-UHFFFAOYSA-N 407.378 4.435 5 50 HIBA O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4457770 CWSUEDHDSFQEGV-KRXBUXKQSA-N 406.269 4.264 5 50 HIBA COC(=O)[C@H](NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 1875309381 MWFSIYRJXYDSTP-NCUBBLFSSA-N 422.359 4.047 5 50 HIBA Cc1cccc(N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 3118670 IYGLLOYXTDRWBF-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2o1 9892785 HWHYAWAEZNNOHP-UHFFFAOYSA-N 420.244 4.230 5 50 HIBA O=C(Nc1ccc(I)cc1F)c1ccc([N+](=O)[O-])cc1Cl 12855374 DTSCZIGGFUTOFY-UHFFFAOYSA-N 420.565 4.244 5 50 HIBA COc1ccc(O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2OC)cc1 1145876 MOWWIWJKBDEMHS-FCHUYYIVSA-N 420.421 4.148 5 50 HIBA Cc1ccc(C(=O)O)cc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 1205927 CMYNLMSLDRLDSK-UHFFFAOYSA-N 418.361 4.194 5 50 HIBA Cc1ccc(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 1232865 PRFGKAPGPVDBRI-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA COc1ccc(Br)cc1[C@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])cc1 2878828 LXYSRYBOLNKRRN-QGZVFWFLSA-N 423.288 4.254 5 50 HIBA C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 12383688 FVMJZXCEFISPLW-SECBINFHSA-N 419.684 4.050 5 50 HIBA O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 225716940 HFNZXBKUUBPJCS-WOJBJXKFSA-N 400.438 4.241 5 50 HIBA Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 1181420 ZDFGOUZLXZAXOK-UHFFFAOYSA-N 422.304 4.409 5 50 HIBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Br 14018652 KXRVQWFXQUMELR-UHFFFAOYSA-N 414.668 4.138 5 50 HIBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1c(Cl)cccc1Cl 2817394 OQTXNWNYULIOLH-UHFFFAOYSA-N 421.327 4.113 5 50 HIBA COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 943817 VQWLZFNYGGETEB-SECBINFHSA-N 408.863 4.473 5 50 HIBA Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 990464 VRUQVIQVCCIVOD-UHFFFAOYSA-N 418.405 4.195 5 50 HIBA O=C(Nc1ccc(I)cc1Cl)c1ccc([N+](=O)[O-])cc1 5094719 LHPMPPZJSRHLDN-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13937871 NRTYIBWQCNMAOJ-UHFFFAOYSA-N 414.283 4.433 5 50 HIBA O=[N+]([O-])c1ccc(OCCOc2ccc(/C=C3/SC(=S)N=C3O)cc2)cc1 2999332 RAIXPWDVGDESOH-LFIBNONCSA-N 402.453 4.382 5 50 HIBA Cc1c(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)ccc([N+](=O)[O-])c1C 832957 GSBKAJDJRLBKKN-RGVLZGJSSA-N 417.446 4.242 5 50 HIBA O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 2748435 YPTAGXCLYOKDHA-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 6177120 WYQJWBVGQYKEBF-ZDUSSCGKSA-N 424.284 4.018 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 4682348 PGVQWIMJDSGXLJ-UHFFFAOYSA-N 407.451 4.397 5 50 HIBA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 4701900 VFJHBRWQAYRMKU-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)Nc1cccc([N+](=O)[O-])c1 2806502 YNCJWZWQPLHNIN-UHFFFAOYSA-N 400.847 4.436 5 50 HIBA COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)cc1 6645313 FQRVNVKIJXCDBS-QGOAFFKASA-N 423.450 4.075 5 50 HIBA O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 1154646 PDPANQSBJIEZHQ-HNNXBMFYSA-N 410.348 4.424 5 50 HIBA COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c2ncccc2c1 4117331 DXSYRKKQQIAOKE-UHFFFAOYSA-N 406.442 4.394 5 50 HIBA biogenic C[C@H]1CN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])C[C@H](C)O1 16286172 DQDFSZDUGJPFJC-STQMWFEESA-N 419.275 4.202 5 50 HIBA CC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 786466 LPSIDFBXAWYXBP-UHFFFAOYSA-N 412.423 4.391 5 50 HIBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 13937870 ZTUSOJFJSJRWBM-UHFFFAOYSA-N 414.283 4.433 5 50 HIBA CCc1cc(I)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 1114254 GSMQBZGKEBLHAI-UHFFFAOYSA-N 410.211 4.323 5 50 HIBA Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 2985715 CBPJZCJMSBPUKV-UHFFFAOYSA-N 418.833 4.092 5 50 HIBA CCCNC(=O)Nc1cccc(OCc2ccc(Br)c([N+](=O)[O-])c2)c1 225827762 HNGAMESYZLHQKH-UHFFFAOYSA-N 408.252 4.468 5 50 HIBA O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3CC[C@H](c4nc5ccccc5o4)CC3)[nH]2)cc1 1875353036 ILZZRKOJGIOSTN-SHTZXODSSA-N 405.414 4.346 5 50 HIBA O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Br)cc1 2995058 QNXKWYINVPPVCD-UHFFFAOYSA-N 419.153 4.394 5 50 HIBA O=C(Oc1cc(O)cc(O)c1C(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 3122421 ASAJFOFQACSGKX-UHFFFAOYSA-N 407.378 4.041 5 50 HIBA CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 3876410 HOJQDQLAQWQDCO-UHFFFAOYSA-N 407.448 4.134 5 50 HIBA Cc1cc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc([N+](=O)[O-])c1C 9175654 FTWDABAJQRXVES-RGVLZGJSSA-N 417.446 4.242 5 50 HIBA CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 1123365 BYXULTGFFUFKFW-QGZVFWFLSA-N 402.248 4.445 5 50 HIBA O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122628 RSOIYGMLTUIMBJ-UHFFFAOYSA-N 420.425 4.293 5 50 HIBA O=C(N/C(=C/c1ccc(Cl)cc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 825099 ABWJQWLIMVYOHK-XMHGGMMESA-N 413.861 4.032 5 50 HIBA Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 1069549 RFQHESRODRFROY-QMMMGPOBSA-N 421.173 4.081 5 50 HIBA Cc1cccc(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c1 837026 MCBINBGRNISDNM-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1[N+](=O)[O-] 9035971 YTRPJJBMYOLEGO-BUHFOSPRSA-N 414.377 4.373 5 50 HIBA COc1cc(Br)c(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC 838888 WQEJYQBBWMVEOS-UHFFFAOYSA-N 406.188 4.148 5 50 HIBA O=[N+]([O-])c1cccc(Cl)c1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 4311657 TVAICSUBQIXNFI-UHFFFAOYSA-N 413.821 4.031 5 50 HIBA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 17087526 WEXTWIDLXOUFBM-OAHLLOKOSA-N 406.866 4.249 5 50 HIBA O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1 1131143 DLYDOUNUWOSSTK-UHFFFAOYSA-N 420.244 4.382 5 50 HIBA O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1ccccc1OC(F)F 654384 MRVPGJCESCWDNW-UHFFFAOYSA-N 406.263 4.390 5 50 HIBA O=C(/C=C/c1ccccc1)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 836579 QLTSWPBDCQQXQQ-RFKZRZAASA-N 415.660 4.500 5 50 HIBA O=C(NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cc(F)c(F)cc1Cl 8744541 CEZJAIUUVYIFDD-UHFFFAOYSA-N 423.725 4.387 5 50 HIBA O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(c2ccccc2)c2ccccc2)CC1 20168078 MIXQTFGHLFVKMV-UHFFFAOYSA-N 415.493 4.071 5 50 HIBA Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)cc1I 2858744 UNTBDECOVLPOLB-UHFFFAOYSA-N 410.211 4.377 5 50 HIBA CCOC(=O)/C=C(\C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(OC)cc1 820349 MKPKKOWFCVLYGF-NKSQBSFPSA-N 409.442 4.221 5 50 HIBA Cc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)cc1 3076631 VLIDHXQVFGQBMW-UHFFFAOYSA-N 403.485 4.105 5 50 HIBA Cc1ccccc1C(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 5003362 NYGCUVSYJJJYAI-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1nnc(SCn2cc([N+](=O)[O-])cn2)n1C 17090711 VHGCBENKLLFEID-CYBMUJFWSA-N 416.507 4.107 5 50 HIBA O=C(Nc1cc(C(F)(F)F)ccc1O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 170635354 LMDDEFREGXVXGQ-UHFFFAOYSA-N 409.364 4.174 5 50 HIBA C[C@H]1CN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])C[C@@H](C)O1 16286171 DQDFSZDUGJPFJC-BETUJISGSA-N 419.275 4.202 5 50 HIBA Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)c1C 1110021 ORSMGYXYWPEFNK-UHFFFAOYSA-N 419.437 4.481 5 50 HIBA O=[N+]([O-])c1cccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2cccc(C(F)(F)F)c2)c1 13765703 OVUQDHPTLJNZCD-FQEVSTJZSA-N 420.411 4.264 5 50 HIBA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccccc1[N+](=O)[O-] 221952690 LOQSLXVCCJSOJY-SJTCNUARSA-N 406.866 4.043 5 50 HIBA COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@H](C)C2 943826 HBKOIIWGNYOZEO-CRALRDPISA-N 400.456 4.220 5 50 HIBA Cc1ccccc1C(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 5003361 NYGCUVSYJJJYAI-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA COC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc([N+](=O)[O-])c1 1097959 FUJLZMMLCPIRMF-UHFFFAOYSA-N 402.712 4.306 5 50 HIBA Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 6459151 FGEHMMGNRVKYBF-JMIUGGIZSA-N 417.446 4.242 5 50 HIBA Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)nc1 1113135 VDAIOZAVBQLKGS-HXUWFJFHSA-N 413.389 4.154 5 50 HIBA O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccco2)nc1SCc1ccccc1 1133143 RWPIYAVJXHIHRB-UHFFFAOYSA-N 406.423 4.427 5 50 HIBA O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1152490 VHNUASHLJPGIMX-UHFFFAOYSA-N 400.390 4.221 5 50 HIBA CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)c2)CC1 4688236 SXXZOEIIAUFTSI-SFHVURJKSA-N 410.518 4.463 5 50 HIBA COc1ccc(C2(CNC[C@H](O)c3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC 4964882 YZANMXCJYWPQOY-FQEVSTJZSA-N 414.502 4.137 5 50 HIBA Cc1ccc(C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1C 1171033 HEYBAEJLXBQLOL-UHFFFAOYSA-N 416.389 4.231 5 50 HIBA Cc1cccc(OCC(=O)Nc2cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c2)c1 2761209 LDDKOIKHNZDOIO-UHFFFAOYSA-N 416.327 4.200 5 50 HIBA CCOc1ccc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)cc1 2809457 UTAYVFPADRLQDW-UHFFFAOYSA-N 400.822 4.144 5 50 HIBA Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 35337444 FJJDHSGTEYWKLS-JOCHJYFZSA-N 414.469 4.100 5 50 HIBA CCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 2749757 CGCDTQVBXDFSPQ-KRWDZBQOSA-N 411.443 4.071 5 50 HIBA Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c(=O)n3c2c1 2915701 VDDYRVKVHQSFEA-ODLFYWEKSA-N 417.446 4.242 5 50 HIBA COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC(=O)Nc1c(C)cc(C)cc1C 170613105 YYQWSKVPBWVOOP-UHFFFAOYSA-N 419.865 4.035 5 50 HIBA COc1cc(Br)ccc1-n1c(=O)c2ccccc2c2ccccc2c1=O 1132154 IGXQSOHSKYZIOZ-UHFFFAOYSA-N 408.251 4.275 5 50 HIBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 1108556 KCSLSGWAIYXUIT-UHFFFAOYSA-N 422.422 4.113 5 50 HIBA CC(=O)c1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 1213882 OBVVDIZPDCKTMB-UHFFFAOYSA-N 402.362 4.390 5 50 HIBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 242324483 ZBRVJKQVRZUXFZ-BSIFCXSSSA-N 403.438 4.257 5 50 HIBA CCc1c(C)sc(NC(=S)Nc2cc([N+](=O)[O-])ccc2OC)c1C(=O)OC 2858711 FLCKSJBLXNKNPL-UHFFFAOYSA-N 409.489 4.131 5 50 HIBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc(C(F)(F)F)c3)CC2)cc1 4685272 CYIBPBQBEDLJDG-UHFFFAOYSA-N 410.421 4.133 5 50 HIBA CO[C@@](F)(C(=O)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F 2491785 ZRWHEVBODAPQMW-HNNXBMFYSA-N 406.263 4.339 5 50 HIBA O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1cccc([N+](=O)[O-])c1 2859062 LVWJOCFSQBHVFE-UHFFFAOYSA-N 417.373 4.336 5 50 HIBA COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1Br 22108770 OFZUIEQLPXBXEW-UHFFFAOYSA-N 424.232 4.335 5 50 HIBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc2c1OCCO2 253404744 HYHCOWMFXAGNTA-UHFFFAOYSA-N 403.394 4.020 5 50 HIBA biogenic O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1nc(-c2ccccc2)cs1 2856600 IJBLHSOZQPLWLM-MDZDMXLPSA-N 410.480 4.245 5 50 HIBA O=C(Cc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4703728 MAWZYDSPAGYBNM-UHFFFAOYSA-N 409.873 4.293 5 50 HIBA Cc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 4755945 REFSQRDTZUPBNA-UHFFFAOYSA-N 408.439 4.247 5 50 HIBA COc1cccc(C(=O)Oc2c([N+](=O)[O-])cc3c(c2Br)CCCC3)c1 2849488 FGAMABGMPZGCKH-UHFFFAOYSA-N 406.232 4.464 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCCCC1 1133180 KMPQJZBBLJHYIF-UHFFFAOYSA-N 414.458 4.461 5 50 HIBA COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1156293 IGGWRRFRVNFAIX-UHFFFAOYSA-N 420.874 4.247 5 50 HIBA Cc1cc(Br)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1077387 BGYXHBRPXMFUKX-UHFFFAOYSA-N 403.188 4.024 5 50 HIBA O=C(Nc1ccc(Cl)cc1)c1cc(I)cc([N+](=O)[O-])c1 1120299 YNAJNQGBQBAUEI-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA CN(Cc1ccccc1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 16790789 SFEPIZHTYYETKB-INIZCTEOSA-N 416.692 4.153 5 50 HIBA C[C@@H]1CN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])C[C@@H](C)O1 16286167 DQDFSZDUGJPFJC-CHWSQXEVSA-N 419.275 4.202 5 50 HIBA O=C(/C=C/c1ccccc1)N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 836586 UXCGKJUYJZPQTC-SCOAYWHSSA-N 415.660 4.500 5 50 HIBA O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4045598 VNGDJFNYLIFVBY-UHFFFAOYSA-N 416.211 4.142 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C 13331394 VDSYVRLLPXAPEV-UHFFFAOYSA-N 409.446 4.417 5 50 HIBA CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12 16400726 ZQULVDIOIHUYDS-UHFFFAOYSA-N 422.470 4.193 5 50 HIBA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5069206 UJTUWXJMCJTPOC-UHFFFAOYSA-N 415.449 4.255 5 50 HIBA CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] 817486 ZZVDZXAIRLLBBK-UHFFFAOYSA-N 404.382 4.449 5 50 HIBA O=C(Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)c1cccc([N+](=O)[O-])c1 214489608 WMICEFKIAMSLIC-UHFFFAOYSA-N 412.409 4.443 5 50 HIBA Cc1nc([N+](=O)[O-])c(Sc2nc3ncc(Cl)cc3[nH]2)n1Cc1ccccc1 8569025 XERXWANDSCDASX-UHFFFAOYSA-N 400.851 4.224 5 50 HIBA CCCC[C@@H](CC)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2313478 XOXOAWQLCZZHHB-GFCCVEGCSA-N 411.505 4.039 5 50 HIBA O=C(Nc1ccccc1OC(F)F)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809382 QJMILRWQTMIXRR-UHFFFAOYSA-N 422.775 4.347 5 50 HIBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2952698 WQYZGNFAHHHTIX-UHFFFAOYSA-N 416.367 4.063 5 50 HIBA CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl 4653468 USUUYZSVOZECGU-INIZCTEOSA-N 411.241 4.326 5 50 HIBA CCCC[C@@H](C)C(=O)N[C@@H]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 2325872259 PDFOPIWVMCRQDD-BMFZPTHFSA-N 417.531 4.403 5 50 HIBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1C 4758044 ODAMRJDZKANPNH-UHFFFAOYSA-N 422.529 4.164 5 50 HIBA Cc1ccccc1C1(O)CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 1875265096 SQVMTUULZPUNMQ-UHFFFAOYSA-N 412.489 4.114 5 50 HIBA CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 2810738 DOFMTSXPTOZBRU-UHFFFAOYSA-N 414.483 4.374 5 50 HIBA CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccc(C)c1 1145997 JSVRNMWIRSXSTN-UHFFFAOYSA-N 411.487 4.221 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1Cl 1134485 HDYOEHHWMZOYAE-UHFFFAOYSA-N 415.627 4.037 5 50 HIBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 1738764 XNLJYGLAIAFHNG-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br 4038148 ZVLKNMHBAQOLIY-XBXARRHUSA-N 407.220 4.026 5 50 HIBA O=[N+]([O-])c1ccc(-n2ncnc2C(F)(F)c2ncc(C(F)(F)F)cc2Cl)cc1 261494956 XJAVJSMCERKHNW-UHFFFAOYSA-N 419.697 4.383 5 50 HIBA O=C(c1ccccc1[N+](=O)[O-])n1nc(-c2ccccc2)nc1NCc1cccs1 4808354 BTAUYQJBOHSGDN-UHFFFAOYSA-N 405.439 4.215 5 50 HIBA Cc1nn2c(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nnc2c2ccccc12 1121792 INZIVTIPKSFYNY-UHFFFAOYSA-N 424.420 4.413 5 50 HIBA COc1ccc(N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 1232124 WUQSSXQQSXIMEL-OAHLLOKOSA-N 418.664 4.142 5 50 HIBA O=C(NCc1cc(-c2ccccc2Cl)on1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 2325869380 LFKXAUZGNQNBKP-UHFFFAOYSA-N 423.816 4.019 5 50 HIBA O=C(/C=C/c1ccccc1)N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 836583 UXCGKJUYJZPQTC-ZNFPLGDCSA-N 415.660 4.500 5 50 HIBA O=[N+]([O-])c1ccc(Nc2ccc(Br)cc2Br)c2nonc12 3879021 IEPNSHHARSWAQQ-UHFFFAOYSA-N 414.013 4.400 5 50 HIBA COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] 1128319 XAVPCHYEAQABIK-UHFFFAOYSA-N 423.816 4.243 5 50 HIBA Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Br)cc1 1165131 NNSJOMNBFOEIIU-UHFFFAOYSA-N 418.272 4.473 5 50 HIBA CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)CC1 4499259 RCLDTEHOJXMQPY-UHFFFAOYSA-N 416.861 4.259 5 50 HIBA O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 95080024 UXAZURVGMXJLSO-NSHDSACASA-N 404.785 4.242 5 50 HIBA in-vitro O=C(O)c1ccccc1C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 13142567 JVMFWXWCZOCSLZ-UHFFFAOYSA-N 422.353 4.197 5 50 HIBA O=[N+]([O-])c1ccc(OCCOc2cccc(/C=C3\SC(=S)N=C3O)c2)cc1 13940203 VGSVUILZNLSRSD-WJDWOHSUSA-N 402.453 4.382 5 50 HIBA CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C(N)=O)C1 1199993 WWUZEGMSIIDGCM-GFCCVEGCSA-N 401.488 4.221 5 50 HIBA CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl 4653475 SVOFTTYNFKKIHB-OAHLLOKOSA-N 411.241 4.326 5 50 HIBA COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 1218299 KGBXKRPGHWAPCM-UHFFFAOYSA-N 415.789 4.354 5 50 HIBA Cc1ccc(NC(=O)[C@H](C)n2nc([N+](=O)[O-])c(Br)c2C)cc1Cl 2879324 XRFABGQXUQUZFB-VIFPVBQESA-N 401.648 4.024 5 50 HIBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)Cc1ccccc1 1122441 TXOITKFKSXXHML-UHFFFAOYSA-N 405.410 4.037 5 50 HIBA CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 1207593 KNNKVVCZYCAWGL-UHFFFAOYSA-N 405.410 4.498 5 50 HIBA Cc1nn(C(=O)COc2ccc(F)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1188538 ISDNZKZCRPXPOF-UHFFFAOYSA-N 401.419 4.418 5 50 HIBA Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccccc3)c3c(N)cc([N+](=O)[O-])cc32)cc1 12461809 ATOQOZDDZOBDSX-GZTJUZNOSA-N 421.478 4.235 5 50 HIBA O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19880222 OPMFFSUSSKZIBB-UHFFFAOYSA-N 415.493 4.071 5 50 HIBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 242324485 ZBRVJKQVRZUXFZ-OZOXKJRCSA-N 403.438 4.257 5 50 HIBA O=C(NC[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 1426749 PAODHJAHSLKMKE-HXUWFJFHSA-N 402.406 4.334 5 50 HIBA O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccc([N+](=O)[O-])cc1 4810124 VUYWZNYAUSLWPK-UHFFFAOYSA-N 401.422 4.440 5 50 HIBA CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC 1065458 HQUQQZMQQDVHQQ-UHFFFAOYSA-N 409.236 4.407 5 50 HIBA CCCCOc1ccc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 13322763 VLGXNDNCMNYKAH-UHFFFAOYSA-N 412.490 4.123 5 50 HIBA Cc1onc(C(=O)Nc2nc(C(C)(C)C)cs2)c1COc1ccc([N+](=O)[O-])cc1 13641701 CBRAVZFFLXBXOQ-UHFFFAOYSA-N 416.459 4.477 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 20270828 PYJOMZMPXAGQDR-UHFFFAOYSA-N 417.465 4.414 5 50 HIBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Br 5074150 FTYIIYAZQNDVKX-UHFFFAOYSA-N 412.671 4.243 5 50 HIBA COc1ccc(N[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 1452528 KJGKZPUXKLQNPK-OAHLLOKOSA-N 418.664 4.142 5 50 HIBA CCOc1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 4759779 BNQKEVZGEOIEOA-UHFFFAOYSA-N 412.471 4.456 5 50 HIBA Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c3)nc12 4978823 FJGNGGGCKJJNJL-UHFFFAOYSA-N 408.439 4.019 5 50 HIBA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c(-c3ccccn3)cccc12 6872155 JQDPSDVHXDRRGX-UHFFFAOYSA-N 415.405 4.317 5 50 HIBA Cc1ccn2cc(-c3cccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)c3)nc2c1 16361910 ASEVGOMAZADPSC-UHFFFAOYSA-N 422.466 4.327 5 50 HIBA O=C(Oc1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1136571 KUGBVALEXXNEDS-UHFFFAOYSA-N 417.826 4.300 5 50 HIBA C[C@@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 4687386 MJSSEBUKKLNBQW-CQSZACIVSA-N 419.323 4.282 5 50 HIBA Cc1cccc(OCCNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 2814207 CDZAYTIRUQSMKW-UHFFFAOYSA-N 414.405 4.209 5 50 HIBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19823709 RIBPUFWURWXTQQ-UHFFFAOYSA-N 417.465 4.345 5 50 HIBA O=C(CCNC(=O)OCc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc12 1749975 SPUFFPTWGIJYTG-UHFFFAOYSA-N 417.417 4.168 5 50 HIBA biogenic Cc1sc2ncn3nc(-c4ccc(Cn5nc([N+](=O)[O-])cc5C)cc4)nc3c2c1C 2808085 VTENJKSPWHDTNV-UHFFFAOYSA-N 419.470 4.084 5 50 HIBA CCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 2911455 GVIRNCIBRXILOL-HEWZJLJBSA-N 411.443 4.386 5 50 HIBA O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 19880395 VPBPNLCMJVOUIT-XMMPIXPASA-N 424.460 4.029 5 50 HIBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)cc1 4999120 XEMPKDJUJNOEKN-UHFFFAOYSA-N 410.421 4.133 5 50 HIBA CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 755234 PXEJACBZVFSAIB-ZHACJKMWSA-N 400.456 4.364 5 50 HIBA Cc1c(C(=O)O)cccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 1209002 SJANSFJWMQHCAD-UHFFFAOYSA-N 418.361 4.194 5 50 HIBA CC1CCN(C[C@H]2CCCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C2)CC1 253417859 IBEAYOYYMWLWEX-LJQANCHMSA-N 422.529 4.241 5 50 HIBA CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O 22204875 UQRIICVNLMEYOM-TZIWHRDSSA-N 418.453 4.155 5 50 HIBA Cc1cccc(C(=O)N[C@@H](Oc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 1107779 RGGULARROOVJQR-HNNXBMFYSA-N 403.649 4.408 5 50 HIBA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1OC 2821675 CSNZDOOZZDIRJB-UHFFFAOYSA-N 415.446 4.383 5 50 HIBA O=[N+]([O-])c1cccc([C@@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccccc2)c1 4524908 SRGPJBYKJGQTKL-SFHVURJKSA-N 413.480 4.196 5 50 HIBA Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 1119060 DNGFMYWQSRQKHL-UHFFFAOYSA-N 402.410 4.464 5 50 HIBA COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c1O 5059304 XMQZCTGDDMTXPN-OUKQBFOZSA-N 415.405 4.179 5 50 HIBA CCC(CC)[C@@H]1C[C@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCO1 225549281 UPEDDBGWKMJIBO-PWSUYJOCSA-N 405.314 4.132 5 50 HIBA CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 656216 NDEPVSJPEMSZHV-GFCCVEGCSA-N 402.472 4.139 5 50 HIBA CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 4311369 HQTSRCLUXKOYLF-GOSISDBHSA-N 410.455 4.333 5 50 HIBA COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br 951444 QZVMUWCDLLPGAG-XBXARRHUSA-N 407.220 4.026 5 50 HIBA Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] 1315721 FQXTXIKGANBHCJ-UHFFFAOYSA-N 409.364 4.011 5 50 HIBA CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])sc(C)c1C 2743208 DCSHLQCTBVPQCM-GFCCVEGCSA-N 406.460 4.164 5 50 HIBA O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)c1 1195663 JIQNAVWNHXVANF-LJQANCHMSA-N 400.481 4.184 5 50 HIBA O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc(Br)cc3)cccc12 4980344 FDAUKMJEXWWGJN-UHFFFAOYSA-N 407.245 4.311 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 20362873 DQUPPFWLFDYSLB-UHFFFAOYSA-N 409.273 4.251 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 1134683 JNASYXHMORNUEI-UHFFFAOYSA-N 400.431 4.071 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 12179343 HCCKLALOVLNDFQ-UHFFFAOYSA-N 420.834 4.038 5 50 HIBA Cc1ccccc1C(=O)N[C@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 1232850 ASXWHOUPKMFTPE-OAHLLOKOSA-N 403.649 4.408 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cc(C)cc1Br 4776840 KJQLVCWBFIGOJI-UHFFFAOYSA-N 409.236 4.000 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(C)c(Br)c(C)c1 4833910 AYWNHJLXKJTODV-UHFFFAOYSA-N 409.236 4.000 5 50 HIBA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19823693 RXEYEFMHHKQJPT-UHFFFAOYSA-N 401.466 4.220 5 50 HIBA Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1cccc([N+](=O)[O-])c1 35337445 FJJDHSGTEYWKLS-QFIPXVFZSA-N 414.469 4.100 5 50 HIBA O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1[N+](=O)[O-] 2983972 FBVXCQQDJJSNCH-UHFFFAOYSA-N 418.887 4.499 5 50 HIBA CC(C)OC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 114706426 NYJKISSOEZMRHH-POXGOYDTSA-N 408.347 4.090 5 50 HIBA CCC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 667485 KBOGDXRUAUCMKZ-OIOXUXFSSA-N 413.499 4.312 5 50 HIBA CCCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398698 JWXBINQOGHAPQI-UHFFFAOYSA-N 400.265 4.417 5 50 HIBA O=[N+]([O-])c1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2cccs2)C1 241171107 KEGFTQWRHDBQGE-SFHVURJKSA-N 413.480 4.196 5 50 HIBA CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 4687545 LPTVACCXQIMBDS-UHFFFAOYSA-N 408.502 4.255 5 50 HIBA O=[N+]([O-])c1ccc(CO[C@@H]2[C@H]3C=C[C@H]2[C@@H]2[C@H]3[C@H]3O[C@H]2c2ccccc23)c([N+](=O)[O-])c1 254707085 MUGRAYNVWBIOLK-YXHZPHNVSA-N 406.394 4.263 5 50 HIBA Cc1cc(C)cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 5041361 QIDBIEWHLPRPTB-UHFFFAOYSA-N 407.392 4.193 5 50 HIBA CCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1[N+](=O)[O-] 2884719 PMWNANMIKNRHCN-UHFFFAOYSA-N 419.437 4.427 5 50 HIBA Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 5065433 MKJKYBWPGAOPCG-QHCPKHFHSA-N 414.421 4.089 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1 13324922 MINAGMKPYCOJCI-UHFFFAOYSA-N 415.302 4.313 5 50 HIBA O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)c2ccccc12 673854 HKCOVCZIGMNWLZ-UHFFFAOYSA-N 402.200 4.495 5 50 HIBA COC(=O)c1cc(-c2nc(O)c3cc(-c4ccccc4)ccc3n2)cc([N+](=O)[O-])c1 1875352968 HKOXXHIVUQGEJU-UHFFFAOYSA-N 401.378 4.364 5 50 HIBA COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1[N+](=O)[O-] 2744632 NBDWKIFPPPFYDW-UHFFFAOYSA-N 415.789 4.354 5 50 HIBA O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 5119924 CJDSNIJFDNXKRA-FPYGCLRLSA-N 406.269 4.264 5 50 HIBA CCc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 1161698 GSCGVGGQPUCHOK-UHFFFAOYSA-N 415.405 4.210 5 50 HIBA O=[N+]([O-])c1ccc2[nH]ccc(=N[C@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)c2c1 2325862199 MVIFZUQMSQBCJP-AWEZNQCLSA-N 421.407 4.134 5 50 HIBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)c1ccc(Cl)cc1Cl 4949425 BQUTYHGNZQYBJB-NSHDSACASA-N 412.248 4.392 5 50 HIBA Cc1c(C(=O)OCc2ccc(S(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 1132041 GYUUSGQYLOQLIR-UHFFFAOYSA-N 411.435 4.093 5 50 HIBA CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1 2830495 FEUXFQNCFGPSDJ-UHFFFAOYSA-N 411.487 4.221 5 50 HIBA CN(c1ccc(O)cc1)c1cc(N(C)c2ccc(O)cc2)c2nonc2c1[N+](=O)[O-] 4420865 IESZCQHOZZYWFS-UHFFFAOYSA-N 407.386 4.078 5 50 HIBA Cc1ccccc1NC(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 2762961 XRZOZNILLCTKRX-UHFFFAOYSA-N 415.247 4.163 5 50 HIBA O=C(Nc1cc(F)ccc1F)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 4650842 CSIBNBFNWVBZFC-UHFFFAOYSA-N 402.401 4.247 5 50 HIBA COc1ccc(NC(=O)COc2cc(C)c(Br)cc2C)c([N+](=O)[O-])c1 4833147 LMIPYIDJTPRQHJ-UHFFFAOYSA-N 409.236 4.000 5 50 HIBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1149337 QYYPAJDQHDIZBQ-UHFFFAOYSA-N 413.783 4.229 5 50 HIBA C[C@H](Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 5044390 CFNFPAUEMGPZIN-ZDUSSCGKSA-N 406.280 4.367 5 50 HIBA CCOc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)ccc1Cl 15821635 LYOVZKZPAAQJQW-UHFFFAOYSA-N 424.284 4.263 5 50 HIBA COc1ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(C)C3=O)cc1Cl 4949588 OLMGMOFKLVAXSN-UHFFFAOYSA-N 411.801 4.379 5 50 HIBA COc1cccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)c1 4613805 ZATWCKKVBFWBES-UHFFFAOYSA-N 400.394 4.466 5 50 HIBA aggregator Cc1c(-c2ccc(Cl)cc2)nnn1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 225827013 UZAHOCRFJPJVTB-UHFFFAOYSA-N 406.229 4.107 5 50 HIBA O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccccc1[N+](=O)[O-] 1070190 DGOYVZPOWPRYFJ-UHFFFAOYSA-N 414.668 4.138 5 50 HIBA C[C@@H](OC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)c1ccccc1 1174846 XQUMQTNHPNSYMI-OAHLLOKOSA-N 418.405 4.275 5 50 HIBA Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 2861481 LEFSPQAKFVSKEO-UHFFFAOYSA-N 405.277 4.445 5 50 HIBA COc1ccccc1NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 9057340 RGEJIEYUSNLNAA-GHRIWEEISA-N 423.450 4.075 5 50 HIBA O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 2850909 GWQMMGLZZKCDFX-INIZCTEOSA-N 423.381 4.047 5 50 HIBA COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 2876656 ITFVBAFCXNVNBG-UHFFFAOYSA-N 405.410 4.416 5 50 HIBA Cc1onc(-c2ccccc2)c1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-] 4565292 FEOBDMBGJXVGAK-UHFFFAOYSA-N 400.822 4.054 5 50 HIBA Cc1ccc(OCCSc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 2844542 SCGIQPBBSKRXLR-UHFFFAOYSA-N 416.484 4.178 5 50 HIBA O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 5058978 XTWPNPNKGLUWNZ-QPEQYQDCSA-N 407.607 4.355 5 50 HIBA CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 170614907 WENGSDUHCMXYBR-CQSZACIVSA-N 411.886 4.062 5 50 HIBA O=[N+]([O-])c1cc(Cl)ccc1NCCCNS(=O)(=O)c1ccc2ccccc2c1 4108287 UBNBCXIVLIPJLN-UHFFFAOYSA-N 419.890 4.182 5 50 HIBA O=c1c(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc2cccc3c2n1CCC3 217697579 NZNTUHQEBZGTAG-UHFFFAOYSA-N 408.417 4.491 5 50 HIBA biogenic O=C(COc1ccc2ccccc2c1Br)Oc1cccc([N+](=O)[O-])c1 673892 GUBSWKANQDQRAR-UHFFFAOYSA-N 402.200 4.495 5 50 HIBA O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 653457 CFRJYUYHUSEIKL-UHFFFAOYSA-N 408.311 4.250 5 50 HIBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1nc2cc(Cl)ccc2s1 45068072 DLYZNVNVHDGGSF-UHFFFAOYSA-N 419.875 4.465 5 50 HIBA O=C(c1cc2ccccc2o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9668290 RXWZQMCFFLDIAJ-UHFFFAOYSA-N 419.359 4.322 5 50 HIBA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 4575242 JJKWCVZGPPUHIX-UHFFFAOYSA-N 422.529 4.429 5 50 HIBA O=c1c([N+](=O)[O-])c(NCCN2CCCCCC2)c2ccccc2n1-c1ccccc1 4834221 YOMUMKBZIVEOLF-UHFFFAOYSA-N 406.486 4.187 5 50 HIBA CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCn1cc([N+](=O)[O-])cn1 17090713 SXXMALKPRPNIGQ-UHFFFAOYSA-N 416.507 4.029 5 50 HIBA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 225426493 OIONXAXQZMSLNL-UHFFFAOYSA-N 420.391 4.299 5 50 HIBA CCOC(=O)c1c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 1140929 YRFAJIKEXLPCBF-GFCCVEGCSA-N 402.472 4.454 5 50 HIBA Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 844265998 KGENKVRMQQDWQF-MRXNPFEDSA-N 409.229 4.035 5 50 HIBA COc1ccc(NC(=O)COc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 9434439 IBSWVXFQDSOOKC-UHFFFAOYSA-N 415.627 4.037 5 50 HIBA CC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 850638 GCWJHJDJLZBJRP-UHFFFAOYSA-N 402.362 4.390 5 50 HIBA Cc1cccc(NC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2Cl)n1 4759844 QMUSTGYHFBWTES-UHFFFAOYSA-N 410.817 4.456 5 50 HIBA CCC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 667490 KBOGDXRUAUCMKZ-DPQIITEBSA-N 413.499 4.312 5 50 HIBA O=[N+]([O-])c1cccc([C@H]2CC(c3cccs3)=NN2S(=O)(=O)c2ccccc2)c1 4524911 SRGPJBYKJGQTKL-GOSISDBHSA-N 413.480 4.196 5 50 HIBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCCC12CC3CC(CC(C3)C1)C2 4576396 PVOITDLITZQQCU-UHFFFAOYSA-N 414.531 4.286 5 50 HIBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccccc1 1149713 NDKVHBWUOPEJKB-NTCAYCPXSA-N 401.422 4.177 5 50 HIBA Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C1)CCCC2 225563336 CRPXXNHTOLJFRH-KRWDZBQOSA-N 410.518 4.363 5 50 HIBA CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 835811 IHITZEHWKGKLRG-ZKKFKWFVSA-N 410.429 4.166 5 50 HIBA biogenic O=C(Nc1ccc([N+](=O)[O-])cn1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 8450970 PDRVSMLUIKRGDG-UHFFFAOYSA-N 414.377 4.186 5 50 HIBA O=C(CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)c1ccccc1 19798531 IBKYNKBWXGAHEY-UHFFFAOYSA-N 417.446 4.269 5 50 HIBA O=C(Nc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 5583804 GRIXZSNWSNSDPO-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA NC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCCCC2 997024 ZQPJDKSPXZPMMM-UHFFFAOYSA-N 407.879 4.320 5 50 HIBA O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 22145796 PDNJGRZBRQBHPJ-FPYGCLRLSA-N 406.269 4.264 5 50 HIBA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 1172363 XBPAPVSEYAMGQQ-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA Cc1ccccc1C(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 808674 XZMFTMORLRBSCC-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA O=C(Nc1ccccc1I)c1ccc(Cl)c([N+](=O)[O-])c1 1230458 CHZXEFBHMGQDJC-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA Cc1cc(C2(c3ccc(O)c(C)c3)C(=O)Nc3c(C)cc([N+](=O)[O-])cc32)ccc1O 4628332 IGWBHQGNUSPMGY-UHFFFAOYSA-N 404.422 4.218 5 50 HIBA O=C(/C=C/c1ccccc1)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 836575 QLTSWPBDCQQXQQ-HKUPYCBJSA-N 415.660 4.500 5 50 HIBA CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 885987 IQQWNLVEBWHDKE-UHFFFAOYSA-N 417.425 4.288 5 50 HIBA CC(=O)c1c(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc2c(C)cc(=O)oc12 952618 JZMIBUKZWGPHFL-UHFFFAOYSA-N 401.758 4.085 5 50 HIBA CC(C)(C)c1ccc(OCc2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1 1050059 PISKMFHQKAUFSR-UHFFFAOYSA-N 423.498 4.421 5 50 HIBA COCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 2837689 YGZLTJCYARTBEL-UHFFFAOYSA-N 404.879 4.445 5 50 HIBA CC(C)CCC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 104134793 ZXBATHOLAUEGBZ-UHFFFAOYSA-N 413.342 4.242 5 50 HIBA O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1cnn2cccnc12 1059230 OPIZYYBSAIFBRY-UHFFFAOYSA-N 409.789 4.336 5 50 HIBA O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c(ccc3ccccc32)[nH]1 731501615 YWXIIEQSKJKZNT-NRFANRHFSA-N 415.405 4.192 5 50 HIBA CC(=O)Nc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 1149514 FJDOFMDFSCCNQA-UHFFFAOYSA-N 413.377 4.303 5 50 HIBA O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1 4119382 IZQIGLMXXYEGLU-UHFFFAOYSA-N 412.671 4.243 5 50 HIBA COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccco1)[C@H]3c1ccc([N+](=O)[O-])cc1 4751424 XFRIDSFTLUHJFU-QFIPXVFZSA-N 417.421 4.466 5 50 HIBA O=C(OCc1nc(O)c2ccccc2n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 1875253888 XUEVQRUPMJUTAI-UHFFFAOYSA-N 417.377 4.393 5 50 HIBA COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1O 16182800 PVUSUVITZHGCDG-OVCLIPMQSA-N 420.830 4.199 5 50 HIBA O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCC1CCN(c2ncccn2)CC1 170618752 UWQKCTGJENBHRM-UHFFFAOYSA-N 415.803 4.386 5 50 HIBA Cc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 1182466 TWTJCNBXEFRPQB-UHFFFAOYSA-N 403.485 4.105 5 50 HIBA CCCC[C@H](CC)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2313479 XOXOAWQLCZZHHB-LBPRGKRZSA-N 411.505 4.039 5 50 HIBA COc1ccc(Br)cc1[C@@H]1SCCN1C(=O)c1ccc([N+](=O)[O-])cc1 2878827 LXYSRYBOLNKRRN-KRWDZBQOSA-N 423.288 4.254 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 4772894 WMLDXKNTUKGUNQ-XSFVSMFZSA-N 405.385 4.144 5 50 HIBA O=C(NCc1ccc2ncccc2c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 6829353 ZZDFSGOXDFFVFS-UHFFFAOYSA-N 403.394 4.245 5 50 HIBA Cc1ccc(NC(=O)c2cc(I)ccc2Cl)c([N+](=O)[O-])c1 15746396 NBRAYUFRISSVFZ-UHFFFAOYSA-N 416.602 4.414 5 50 HIBA Cc1cc2nc3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3c2cc1C 653569 NBJDSVUWXWPOPY-JAIQZWGSSA-N 417.446 4.242 5 50 HIBA CCOc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 1171475 BWHWUHJVBJIIOB-UHFFFAOYSA-N 421.478 4.372 5 50 HIBA COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ncc([N+](=O)[O-])s1 9348921 OZAFHJKAGBTBQI-UHFFFAOYSA-N 422.260 4.157 5 50 HIBA CCCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@H](C)C2 17091501 UQDGMTLRYKLSND-LBPRGKRZSA-N 418.548 4.396 5 50 HIBA O=C(/C=C/c1ccccc1)NC(=S)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2984064 TUJHWLCAPLQMKV-IZZDOVSWSA-N 410.480 4.245 5 50 HIBA O=C1N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 4702372 RSWVOIKCPMJMAU-XSFVSMFZSA-N 415.405 4.271 5 50 HIBA NCCNc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-] 4809629 HCQAOEUGYLMAOT-UHFFFAOYSA-N 406.467 4.409 5 50 HIBA Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc([N+](=O)[O-])ccc3n2C)cc1 252503515 VEEVGXLSWFNQJK-UHFFFAOYSA-N 422.466 4.258 5 50 HIBA O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 1154130 VFUSSRTWOPGMKZ-HNNXBMFYSA-N 410.348 4.424 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 4715910 DXSFGFOHWDSSFT-UHFFFAOYSA-N 403.851 4.073 5 50 HIBA CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)c1ccncc1 5958543 BYIHBHHATLCLOX-UHFFFAOYSA-N 415.449 4.229 5 50 HIBA CC(=O)Oc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1ccccc1 1233142 YTEZHDSWGDZZAI-UHFFFAOYSA-N 419.389 4.227 5 50 HIBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(CCCO)n1-c1ccccc1 2863189 JLUWXTDPYMPSNT-UHFFFAOYSA-N 424.404 4.270 5 50 HIBA O=[N+]([O-])c1ccc(-c2nn3c(-c4ccccc4Br)nnc3s2)cc1 2875950 IJCSNGVCWKVHOQ-UHFFFAOYSA-N 402.233 4.191 5 50 HIBA O=[N+]([O-])c1c(Cl)cccc1N1CCN(Cc2csc(-c3ccco3)n2)CC1 2325827894 TWQHVMXMGPAQBM-UHFFFAOYSA-N 404.879 4.287 5 50 HIBA O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 860757 VPBPNLCMJVOUIT-DEOSSOPVSA-N 424.460 4.029 5 50 HIBA O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1144476 KMYZQVJWCPHVEQ-UHFFFAOYSA-N 421.375 4.105 5 50 HIBA Cc1ccccc1N[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 1232862 XTLONIBWUAJJAK-OAHLLOKOSA-N 402.665 4.441 5 50 HIBA Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4520473 SGQYYEMUBWAOOM-UHFFFAOYSA-N 418.833 4.010 5 50 HIBA CN(C)Cc1ccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)cc1 435936738 NIRDAGJELGLABP-UHFFFAOYSA-N 407.420 4.273 5 50 HIBA COc1cc(/C=C/[N+](=O)[O-])cc(I)c1OCc1ccccc1 1114195 VLPKXEJGFOKPBA-BQYQJAHWSA-N 411.195 4.126 5 50 HIBA CCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 1204156 WLAVTBWEDADTMC-UHFFFAOYSA-N 406.236 4.348 5 50 HIBA NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCCC2 2922295 IFHXVZUOCFPLMA-UHFFFAOYSA-N 407.879 4.320 5 50 HIBA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2cnc3cc(Cl)ccc3c12 19800547 ZFLRSDFZYAKGPX-UHFFFAOYSA-N 423.812 4.457 5 50 HIBA COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 943828 HBKOIIWGNYOZEO-YPUOHESYSA-N 400.456 4.220 5 50 HIBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCCC1 2884945 IHAWOXWXRAXZKJ-UHFFFAOYSA-N 409.364 4.231 5 50 HIBA CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 835812 IHITZEHWKGKLRG-YCIYHOANSA-N 410.429 4.166 5 50 HIBA biogenic Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 2985637 LTDLGHZRSHWCSV-UHFFFAOYSA-N 418.833 4.010 5 50 HIBA COc1ccc2cc(-c3c4cn[nH]c4nc4c3oc3cc(O)ccc34)c(=O)n(C)c2c1 217762291 AOYSZBUCTWODCN-UHFFFAOYSA-N 412.405 4.090 5 50 HIBA biogenic CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc([N+](=O)[O-])c3)c2c1 952882 QQJAUYSIPMAUKH-UHFFFAOYSA-N 409.398 4.240 5 50 HIBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(C)(C)C)c3)CC2)cc1 4703664 YUNBHKMDHKXVST-UHFFFAOYSA-N 410.518 4.324 5 50 HIBA COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)ccc1O 4837482 VTHBLLRKHAZODP-ZRDIBKRKSA-N 415.405 4.179 5 50 HIBA COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 2844571 AFUVJVDMLQKXFX-UHFFFAOYSA-N 406.394 4.213 5 50 HIBA Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1[N+](=O)[O-] 2873631 YUEPJJXIUQVORQ-UHFFFAOYSA-N 423.454 4.176 5 50 HIBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)c1 16399667 XUONHSATCIIRKL-UHFFFAOYSA-N 421.327 4.113 5 50 HIBA O=C(Nc1ccccc1I)c1ccc(Cl)cc1[N+](=O)[O-] 834109 MDBOJNOSBIUHPB-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA Cc1cccc(N[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)c1 1452525 KHAAMTBITQUKQP-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA COC(=O)c1ccc(COC(=O)CCSc2c(Cl)cccc2[N+](=O)[O-])cc1 1067644 ZSUSZAUWHFJVPQ-UHFFFAOYSA-N 409.847 4.260 5 50 HIBA COc1cc(CN2CCN(Cc3cccc4ccccc34)CC2)c([N+](=O)[O-])cc1OC 4614100 PEFYMVVGAZUCDP-UHFFFAOYSA-N 421.497 4.083 5 50 HIBA N=C(O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 328602378 BNBZIHLQYUWGRW-CQSZACIVSA-N 409.421 4.187 5 50 HIBA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 1170604 CHXLNNCHQPUGAT-UHFFFAOYSA-N 417.425 4.206 5 50 HIBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 1171174 QXONHVPJLWCXQR-UHFFFAOYSA-N 413.377 4.139 5 50 HIBA CCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 1209648 NLWZWDPVUHNROM-UHFFFAOYSA-N 406.236 4.348 5 50 HIBA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 2876921 JWEGQELURSJZPO-UHFFFAOYSA-N 405.410 4.416 5 50 HIBA COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OC)cc1NC(=O)c1ccccc1 1149979 GZRCDCGWUYYBTJ-UHFFFAOYSA-N 421.409 4.117 5 50 HIBA Cc1oc(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1C(=O)O 2325873025 WDESLNUFNDZTBI-UHFFFAOYSA-N 408.410 4.470 5 50 HIBA COc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1109153 AWIRGOXJCDBADT-UHFFFAOYSA-N 406.394 4.117 5 50 HIBA O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4331671 KXQXVHPRTJZDHI-UHFFFAOYSA-N 419.437 4.476 5 50 HIBA O=c1c2ccc3c4c(ccc(c24)c2nc4ccccc4n12)c(=O)n1c2ccccc2nc31 4256036 DGBWPZSGHAXYGK-UHFFFAOYSA-N 412.408 4.344 5 50 HIBA in-vitro COC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCCCC2 668755 MQUARAONRFRIFW-UHFFFAOYSA-N 418.471 4.119 5 50 HIBA O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5090878 OPGRMOYMRIBXKP-UHFFFAOYSA-N 417.465 4.136 5 50 HIBA COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c(OC(C)=O)c([N+](=O)[O-])c1 12380047 QZRWEMPEDFWPQC-CSKARUKUSA-N 422.393 4.173 5 50 HIBA Cc1ccccc1C(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 808673 XZMFTMORLRBSCC-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA Cc1cncc(CC(=O)N2Cc3ccccc3[C@@H](Nc3cccc(F)c3[N+](=O)[O-])C2)c1 1875358783 JUSMHCFLLQWXOK-NRFANRHFSA-N 420.444 4.175 5 50 HIBA CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 5064296 UEIIKVFZPFEXKH-KRWDZBQOSA-N 402.248 4.445 5 50 HIBA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 16214175 BFJVTOYUEVSYHS-SEYXRHQNSA-N 402.454 4.473 5 50 HIBA Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCC(C)(C)C)c2)CC1 4740915 BEARTWLLRBXWFQ-UHFFFAOYSA-N 410.518 4.324 5 50 HIBA CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 170629088 NTHZYBBBROFBDE-DNVCBOLYSA-N 415.440 4.395 5 50 HIBA CN(C)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 436090970 NOSAEWOYHSYNHA-UHFFFAOYSA-N 407.420 4.273 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCN(c2ncnc3sccc23)C1 744359559 CRFATZGTNHUKKB-NSHDSACASA-N 417.878 4.108 5 50 HIBA COc1cc(C=O)cc(Br)c1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1162831 SGTQPSGGLYQVDQ-UHFFFAOYSA-N 414.595 4.051 5 50 HIBA O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc2c(cc1Br)CCC2 443871310 VQWASFCRMXITSZ-UHFFFAOYSA-N 414.259 4.439 5 50 HIBA Cc1nc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)[nH]c1CC(C)C 4625827 HJWJYRNZUAJDBS-UHFFFAOYSA-N 405.505 4.165 5 50 HIBA COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 13522305 ZVOCMQBKGMSPSX-ZSOIEALJSA-N 406.803 4.203 5 50 HIBA O=C(Cc1ccccc1)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1232870 LBMXKOFQXSUZPV-HNNXBMFYSA-N 402.665 4.062 5 50 HIBA Cc1nn(Cc2ccccc2C(=O)Nc2ccccc2OC(F)F)c(C)c1[N+](=O)[O-] 2796568 UOVKWBYEKMGBSK-UHFFFAOYSA-N 416.384 4.310 5 50 HIBA O=C(CNc1ncc(-c2cc3ccccc3oc2=O)s1)c1ccc([N+](=O)[O-])cc1 8381994 RIOOONJMHOGXIJ-UHFFFAOYSA-N 407.407 4.120 5 50 HIBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C 13331254 PJNUJRWAVKHFCQ-UHFFFAOYSA-N 413.409 4.248 5 50 HIBA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 4179318 XWUWJQFHHRAQMX-XFQXTVEOSA-N 419.474 4.105 5 50 HIBA biogenic Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] 5060235 IMXVIVHCCLZQQS-UHFFFAOYSA-N 405.657 4.120 5 50 HIBA COc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 1191461 ONWQJKNTFMWGPD-HKWRFOASSA-N 417.421 4.013 5 50 HIBA COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1Cl 2796610 RXHDSGDWVUDMMW-UHFFFAOYSA-N 414.849 4.371 5 50 HIBA C[C@@H](OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1115591 GTIYHXXUZPUWOD-OAHLLOKOSA-N 411.435 4.346 5 50 HIBA Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 2985917 UWKDHEUIELEQML-UHFFFAOYSA-N 418.833 4.092 5 50 HIBA O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2cc(Br)ccc2C1 480954304 QKGGEEUMMKQJQA-UHFFFAOYSA-N 400.232 4.037 5 50 HIBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CC[C@H](C)C2 668447 ORULKKDBUFKXSB-VIFPVBQESA-N 408.863 4.473 5 50 HIBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951169 SLAHGTUKNVSLIM-UHFFFAOYSA-N 421.796 4.301 5 50 HIBA Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ccccc2[nH]1 1173508 UYPPGPIMVJJTJJ-UHFFFAOYSA-N 402.410 4.464 5 50 HIBA Cc1nn(Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)o2)c(C)c1[N+](=O)[O-] 800695 DWBIUQQQEGADCZ-UHFFFAOYSA-N 423.256 4.286 5 50 HIBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)c(Cl)c1 1164627 WCILOBQPSZWIAI-QHHAFSJGSA-N 422.268 4.390 5 50 HIBA O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1[C@H]2CC[C@H]1CC(O)C2 170631738 LGPKWEXYBUCDSG-GJZGRUSLSA-N 402.834 4.168 5 50 HIBA Cc1c(C(=O)Nc2ccc(I)cc2Cl)cccc1[N+](=O)[O-] 1217731 UPOGUOHBKQILSE-UHFFFAOYSA-N 416.602 4.414 5 50 HIBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 4955125 OPGBWPLRFLYHEE-UHFFFAOYSA-N 405.322 4.096 5 50 HIBA CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 835810 IHITZEHWKGKLRG-LQDNNDEMSA-N 410.429 4.166 5 50 HIBA biogenic CCOC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCC)cc1 4653347 GKZJJVYCKCEDCT-SFHVURJKSA-N 420.849 4.071 5 50 HIBA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c1ccc1cc(OC)ccc12 2532655 JRWFLBCMBPDFMU-UHFFFAOYSA-N 418.405 4.417 5 50 HIBA CCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 2749758 CGCDTQVBXDFSPQ-QGZVFWFLSA-N 411.443 4.071 5 50 HIBA O=[N+]([O-])c1cccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2cccc(C(F)(F)F)c2)c1 17161801 OVUQDHPTLJNZCD-HXUWFJFHSA-N 420.411 4.264 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 17996081 ZBOCIBOQHUPBHM-MYNGYRLFSA-N 410.429 4.300 5 50 HIBA Cc1ccc(C(=O)O)cc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 1085703 NNIUQZKQXACVKE-UHFFFAOYSA-N 418.361 4.194 5 50 HIBA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 6177349 WYQJWBVGQYKEBF-CYBMUJFWSA-N 424.284 4.018 5 50 HIBA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 625826 DUIZSHBYYXFBMU-SFHVURJKSA-N 409.438 4.251 5 50 HIBA biogenic CCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 1006725 WSYNCRRWXNSKSS-LJQANCHMSA-N 423.454 4.003 5 50 HIBA O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1cccc([N+](=O)[O-])c1 1111528 HMLJDXGTVPCPAA-UHFFFAOYSA-N 414.668 4.138 5 50 HIBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)C(c1ccccc1)c1ccccc1 1182727 IDNMLNHWWQCPCH-UHFFFAOYSA-N 409.442 4.379 5 50 HIBA CCCn1c2ccccc2c2nnc(Sc3ccc4nsnc4c3[N+](=O)[O-])nc21 2866297 UDWUCKCJBWVNJW-UHFFFAOYSA-N 423.483 4.454 5 50 HIBA O=C(Nc1ccccc1)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 109466819 NBEHPJBVSVKXTA-UHFFFAOYSA-N 423.341 4.407 5 50 HIBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)Cc1ccccc1 2841776 ADAAXICYCWPWIG-UHFFFAOYSA-N 405.410 4.037 5 50 HIBA COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc([N+](=O)[O-])o1 1065228 OMSVVPQVNMIRMW-UHFFFAOYSA-N 406.350 4.222 5 50 HIBA CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 835809 IHITZEHWKGKLRG-NFJKTXFASA-N 410.429 4.166 5 50 HIBA biogenic O=C(NCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(Cl)cc1 4687365 FBXCKHXYRYGGNF-UHFFFAOYSA-N 401.772 4.499 5 50 HIBA CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1[N+](=O)[O-] 1164833 LDWKCJIQFIWNIE-UHFFFAOYSA-N 404.382 4.449 5 50 HIBA O=C(Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1Cl 1230706 HLDANYSTSLNMCC-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)cc1I 2858032 KGADPECMURFCNQ-UHFFFAOYSA-N 410.211 4.377 5 50 HIBA Cc1cc(C)nc(SCC(=O)N(Cc2cccs2)c2ccc([N+](=O)[O-])cc2)n1 4179491 FWCCWSLREMUIHG-UHFFFAOYSA-N 414.512 4.389 5 50 HIBA O=[N+]([O-])c1cccc([C@@H](CO)Nc2nc3cc(Br)c(F)cc3s2)c1 2325849531 SGMMKEJYBFVQPU-CYBMUJFWSA-N 412.240 4.252 5 50 HIBA CCOC(=O)CN1C=C(c2ccc3ccccc3n2)[C@@H](C[N+](=O)[O-])c2ccccc21 1087906 CZZFZPNFLWXKHZ-SFHVURJKSA-N 403.438 4.019 5 50 HIBA COc1ccc(CCNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1453677 RFHDIJOOSVWXAF-UHFFFAOYSA-N 400.818 4.489 5 50 HIBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1cccc([N+](=O)[O-])c1 2923766 LWEVMDCIHMQUTE-UHFFFAOYSA-N 405.322 4.096 5 50 HIBA Cc1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2cccc([N+](=O)[O-])c2)c1 5061381 JAIZFRYHQJVKNH-KGENOOAVSA-N 401.422 4.313 5 50 HIBA Cc1ccc(NC(=O)/C(=C\c2ccc(C)o2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 5061384 JFZGCWRFABGSLK-DEDYPNTBSA-N 405.410 4.214 5 50 HIBA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 2875242 UPMMNQZJMVAAEO-UHFFFAOYSA-N 400.822 4.349 5 50 HIBA COc1ccc(C(=O)N[C@@H](Oc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 3091902 VWNWEJHPNVYTBA-HNNXBMFYSA-N 419.648 4.109 5 50 HIBA O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 19833058 WQVAPYYGBLIRQW-UHFFFAOYSA-N 420.244 4.382 5 50 HIBA O=[N+]([O-])c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 12616059 SQWXFONOZATFFT-UHFFFAOYSA-N 421.438 4.082 5 50 HIBA Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ncccc2o1 1184017 ITBSZJDSINAHMB-UHFFFAOYSA-N 404.382 4.124 5 50 HIBA CCc1ccc(Nc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nn2)cc1 4688176 AEGGIVIMNDYYPN-UHFFFAOYSA-N 404.474 4.017 5 50 HIBA CCOC(=O)/C=C(\C)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(OC)cc1 820345 MKPKKOWFCVLYGF-FFXXTYGZSA-N 409.442 4.221 5 50 HIBA CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] 2198680 JISAYBIWZGKEIJ-UHFFFAOYSA-N 421.388 4.119 5 50 HIBA CCOC(=O)CCc1c(C)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2oc1=O 1118290 PXDKXDHECIHOGB-UHFFFAOYSA-N 411.410 4.084 5 50 HIBA biogenic O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 2506202 RVXLBJBAHDYPSI-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2ccccc2C1=O 1136142 QZSWHQRPIKUEGB-UHFFFAOYSA-N 416.389 4.061 5 50 HIBA O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 855071 RWFGLXUMRGIXKX-IBGZPJMESA-N 400.481 4.184 5 50 HIBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)NC12CC3CC(CC(C3)C1)C2 4546471 XINBAYVJNVATMF-DUXPYHPUSA-N 419.934 4.221 5 50 HIBA CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)CC1 170629090 NTHZYBBBROFBDE-BEFAXECRSA-N 415.440 4.395 5 50 HIBA Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 1135901 VAMFFUWJUQPKOU-UHFFFAOYSA-N 410.451 4.129 5 50 HIBA O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1[N+](=O)[O-] 8922385 OBTBXVBSOMPDLY-OUKQBFOZSA-N 414.377 4.373 5 50 HIBA Cc1cc(C)n(-c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)C[C@H](C)CC5)n1 628578 JEZDGBMGEVNOCH-GFCCVEGCSA-N 415.522 4.385 5 50 HIBA C[C@H](OC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 878803 RSUJFVZQTYOESE-HNNXBMFYSA-N 418.405 4.275 5 50 HIBA COc1ccc(C(=O)N[C@@H](Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 1232861 FZNZJMSQGWPGKO-OAHLLOKOSA-N 418.664 4.142 5 50 HIBA O=C(Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 2079854 XLLSAFDUMYKCBU-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA CN(Cc1ccccc1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 16790787 SFEPIZHTYYETKB-MRXNPFEDSA-N 416.692 4.153 5 50 HIBA O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCCc2cc(Br)ccc21 499616612 JHXXBXXDUNUBCV-UHFFFAOYSA-N 412.243 4.499 5 50 HIBA COc1ccccc1NS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1234532 BWJLWRNWROZVQU-UHFFFAOYSA-N 400.412 4.197 5 50 HIBA C[C@H](Nc1cc(N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-])c1ccccc1 4092208 PQKHKKYXMWZPAU-KRWDZBQOSA-N 420.469 4.323 5 50 HIBA CC(C)COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 4749158 NUSIDSUTVRSXJL-UHFFFAOYSA-N 417.893 4.245 5 50 HIBA COc1cc(/C=C2/SC(=S)N=C2O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2070565 AHVXJVBZXZTIJP-OQLLNIDSSA-N 416.436 4.152 5 50 HIBA O=C(Nc1ccccc1Cl)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1114680 VJTWIQRUTXLTLX-UHFFFAOYSA-N 421.796 4.301 5 50 HIBA C[C@H](c1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 1025932 KSAGMQGUJRTNNG-MGHXFCRTSA-N 424.456 4.028 5 50 HIBA COc1ccc(C2(CNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CCCC2)cc1OC 1165815 RTSRXVYSPOAJRF-DHZHZOJOSA-N 410.470 4.253 5 50 HIBA COc1ccc(O[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2OC)cc1 1145874 MOWWIWJKBDEMHS-VXKWHMMOSA-N 420.421 4.148 5 50 HIBA O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nccs1 2850910 GWQMMGLZZKCDFX-MRXNPFEDSA-N 423.381 4.047 5 50 HIBA Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccc(Cl)cc1 834971 JFEIJZLPYJUPMQ-UHFFFAOYSA-N 423.903 4.450 5 50 HIBA Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c3)nc12 6143562 KOMGZPVVUOCUQH-UHFFFAOYSA-N 408.439 4.019 5 50 HIBA Cc1ccc(NC(=O)c2ccn(COc3ccc([N+](=O)[O-])cc3Cl)n2)cc1C 2799957 SMSZXMKRKQRZHM-UHFFFAOYSA-N 400.822 4.350 5 50 HIBA O=C(c1coc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15799152 PZCDFARTEJFGOA-UHFFFAOYSA-N 419.359 4.322 5 50 HIBA O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1[N+](=O)[O-] 4163318 QVHRBTTUEKJHPI-CQSZACIVSA-N 411.361 4.055 5 50 HIBA Cc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1[N+](=O)[O-] 673740 INTSVYYIFYZNKY-UHFFFAOYSA-N 403.390 4.174 5 50 HIBA CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(=O)NCc1cccnc1 1055552 HJAUMWLHPQNZNE-UHFFFAOYSA-N 424.482 4.104 5 50 HIBA Cc1c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cccc1[N+](=O)[O-] 1119426 GIGMVRXYSZCHEJ-UHFFFAOYSA-N 403.438 4.128 5 50 HIBA O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(Cl)cc1C(F)(F)F 4179520 AADQTLXHFPZGOW-UHFFFAOYSA-N 403.660 4.455 5 50 HIBA O=C(Oc1cc(S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 1044546 WNDWKKPBLAKXMI-UHFFFAOYSA-N 417.826 4.300 5 50 HIBA in-vitro O=C(Oc1ccc(Cl)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1136071 CCCOWYZJIIXDKX-UHFFFAOYSA-N 417.826 4.300 5 50 HIBA Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1F 225663682 UGPYIWWTFUJLEX-UHFFFAOYSA-N 416.405 4.067 5 50 HIBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nc2ccccc2o1 947289 FLEDUORAXXTKRM-UHFFFAOYSA-N 404.347 4.181 5 50 HIBA O=C(/C(=C\c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663467 DHNLBCXSKMIFKS-CLCOLTQESA-N 413.477 4.484 5 50 HIBA O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4811262 PMVMWYBTLOKFBW-UHFFFAOYSA-N 423.513 4.370 5 50 HIBA O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 1155126 HQKXXTVUFXWXKE-UHFFFAOYSA-N 422.368 4.026 5 50 HIBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1ccccc1OC(F)F 2796546 UBZODFRSEMOMCD-UHFFFAOYSA-N 402.357 4.002 5 50 HIBA O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2840609 LKHMVEHUSDLNSP-ATVHPVEESA-N 411.801 4.251 5 50 HIBA CC(=O)Oc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)oc2c1 5632167 TWPOROOJFUJDQY-UHFFFAOYSA-N 409.272 4.438 5 50 HIBA Cc1nn(Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)c(C)c1[N+](=O)[O-] 2755907 BOXOUHWQRIVXCO-UHFFFAOYSA-N 407.455 4.318 5 50 HIBA CC(=O)Nc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1 4754556 MOWYEVIQUNTKFC-UHFFFAOYSA-N 410.434 4.213 5 50 HIBA CCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)F)n1 3877356 ZKEGXILVFBAJOX-UHFFFAOYSA-N 400.361 4.067 5 50 HIBA biogenic O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 5092120 ITZLVROARIAEJX-SFQUDFHCSA-N 411.801 4.251 5 50 HIBA COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 1136706 RVGNAQNBNBYRPO-UHFFFAOYSA-N 406.394 4.213 5 50 HIBA O=C1Nc2ccc([N+](=O)[O-])cc2NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 5948367 RRBANWVOPAFHKV-UJKMTWAASA-N 411.417 4.009 5 50 HIBA CC1(C)Cc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(N)c23)CO1 2447986 HGSIQMPGJFTHPZ-UHFFFAOYSA-N 402.501 4.325 5 50 HIBA Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 673081 SHOZSHKJALRECR-UHFFFAOYSA-N 416.840 4.430 5 50 HIBA NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 1140896 DKNARULNTHNDBG-UHFFFAOYSA-N 411.801 4.392 5 50 HIBA CC1CCN(C[C@@H]2CCCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C2)CC1 253417856 IBEAYOYYMWLWEX-IBGZPJMESA-N 422.529 4.241 5 50 HIBA O=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1101603 VWJOFXYLRVHASM-LJQANCHMSA-N 409.467 4.431 5 50 HIBA Cc1ccc(-c2csc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 9087231 XIOYLLPGMHJHJS-UHFFFAOYSA-N 412.496 4.462 5 50 HIBA COc1ccc(N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)cc1 1232125 WUQSSXQQSXIMEL-HNNXBMFYSA-N 418.664 4.142 5 50 HIBA O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1 2858866 JQLDJDANXLWMET-UHFFFAOYSA-N 417.400 4.293 5 50 HIBA aggregator O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc2c(Br)cccc12 4081944 OZUUYDNIPKFBMO-UHFFFAOYSA-N 414.259 4.352 5 50 HIBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)c1ccc(Cl)cc1Cl 4949424 BQUTYHGNZQYBJB-LLVKDONJSA-N 412.248 4.392 5 50 HIBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 2978843 YQVWVXJTFNQDFL-OUKQBFOZSA-N 413.389 4.047 5 50 HIBA Cn1c(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)nc2ccc(F)cc21 170610790 WFBGIWLHUFPMFX-UHFFFAOYSA-N 407.405 4.207 5 50 HIBA COc1ccc(C(=O)N[C@H](Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 1232860 FZNZJMSQGWPGKO-HNNXBMFYSA-N 418.664 4.142 5 50 HIBA O=[N+]([O-])c1c(Nc2cc(Cl)ccc2Cl)cc(N2CCOCC2)c2nonc12 4658742 HNYJOIKURITRGG-UHFFFAOYSA-N 410.217 4.018 5 50 HIBA Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Cl)cc3Cl)CC2=O)cc1[N+](=O)[O-] 9591759 RFBROOAUPGZDOS-CYBMUJFWSA-N 423.252 4.306 5 50 HIBA O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4460010 NOAQACYFIXPMAS-KRXBUXKQSA-N 406.269 4.264 5 50 HIBA Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 1142267 PZUNNYPQPUWGJG-UHFFFAOYSA-N 417.878 4.083 5 50 HIBA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 1174722 GARZGUQAFDMVQK-UHFFFAOYSA-N 400.243 4.037 5 50 HIBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1ccco1 1217837 WFALLCHHWOODQW-UHFFFAOYSA-N 415.789 4.354 5 50 HIBA Cn1c(-c2ccc(Cl)c(Cl)c2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N 334157574 NNZMNXMNXXPODX-UHFFFAOYSA-N 405.241 4.071 5 50 HIBA O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1[N+](=O)[O-] 4163320 QVHRBTTUEKJHPI-AWEZNQCLSA-N 411.361 4.055 5 50 HIBA O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1 17014636 OOZCPVKOMDMEMA-UHFFFAOYSA-N 418.887 4.499 5 50 HIBA Cc1ccccc1N[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 837031 NLSVHQIFEFIUAB-HNNXBMFYSA-N 402.665 4.441 5 50 HIBA Cc1cc(C)n(-c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)C[C@@H](C)CC5)n1 628575 JEZDGBMGEVNOCH-LBPRGKRZSA-N 415.522 4.385 5 50 HIBA C[C@@H](Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1 5044392 CFNFPAUEMGPZIN-CYBMUJFWSA-N 406.280 4.367 5 50 HIBA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 1145217 AZRYPCZVJBZYJQ-UHFFFAOYSA-N 404.382 4.124 5 50 HIBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 4685221 FNUZMJVGKVFLPX-UHFFFAOYSA-N 411.314 4.421 5 50 HIBA CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 253419409 OUWRLBAATOMMOV-UHFFFAOYSA-N 416.861 4.382 5 50 HIBA O=[N+]([O-])c1ccccc1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2cccs2)C1 241171106 KEGFTQWRHDBQGE-GOSISDBHSA-N 413.480 4.196 5 50 HIBA COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Br)cn2)o1 677965 BQLNMXOYAXRECI-UHFFFAOYSA-N 418.203 4.273 5 50 HIBA Cc1cc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] 1164930 IBRCOUAFIGTAGO-UHFFFAOYSA-N 419.389 4.162 5 50 HIBA O=[N+]([O-])c1ccc(-c2nnc(SC[C@@H](O)c3ccc(Br)cc3)o2)cc1 25579878 BQDCKOKCZWXMOX-CQSZACIVSA-N 422.260 4.233 5 50 HIBA Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)ccc1[N+](=O)[O-] 1208323 YIBFBMMCVZJMQX-UHFFFAOYSA-N 401.378 4.324 5 50 HIBA CCCSc1nnc2c(n1)O[C@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 2911450 GVIRNCIBRXILOL-LOWQCSRCSA-N 411.443 4.386 5 50 HIBA O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1156111 MQGJUJUUQSQYOO-UHFFFAOYSA-N 417.450 4.213 5 50 HIBA Cc1cc(C(=O)Nc2ccc(I)cc2Cl)ccc1[N+](=O)[O-] 1217197 SYDCEWPFHWJQQD-UHFFFAOYSA-N 416.602 4.414 5 50 HIBA Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(F)cc1[N+](=O)[O-] 4543931 YFLLNBONHRBUKL-UHFFFAOYSA-N 412.248 4.312 5 50 HIBA O=C(OCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 5049582 GFMTZAMXPIUFOU-RCCKNPSSSA-N 402.406 4.109 5 50 HIBA Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 1187886 QOHGVMNLMQRELF-UHFFFAOYSA-N 403.438 4.070 5 50 HIBA aggregator CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(C)cc1 4690791 ACEJNRGDMFYHDA-UHFFFAOYSA-N 411.487 4.221 5 50 HIBA CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC 4290079 ZCJPZTKJVVWDEJ-WEVVVXLNSA-N 421.247 4.417 5 50 HIBA CCOC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl 4653469 USUUYZSVOZECGU-MRXNPFEDSA-N 411.241 4.326 5 50 HIBA O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1cc(C(F)(F)F)ccc1Cl 4947513 ZIJBBDVIOXZBQU-UHFFFAOYSA-N 403.660 4.455 5 50 HIBA O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc2oc(C(F)(F)F)nc12 170609244 YYBIOSJHYXFJNI-UHFFFAOYSA-N 421.740 4.209 5 50 HIBA O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 1141217 QEIZRGOIKCLSRO-UHFFFAOYSA-N 409.829 4.431 5 50 HIBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(I)ccc1Cl 4819743 AMRKLTYLCFQCSF-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4499385 AGRBLPBRKYAICN-UHFFFAOYSA-N 413.783 4.229 5 50 HIBA COc1cccc(-c2nc(-c3ccccc3[N+](=O)[O-])[nH]c2-c2oc(C)cc(=O)c2O)c1 1857526857 BORXVQRRILHWBH-UHFFFAOYSA-N 419.393 4.295 5 50 HIBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 5091636 ZBOCIBOQHUPBHM-BWWMBTDCSA-N 410.429 4.300 5 50 HIBA O=C1Nc2ccc([N+](=O)[O-])cc2NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 5948363 RRBANWVOPAFHKV-LIKPIUCQSA-N 411.417 4.009 5 50 HIBA O=C(CCc1ccccc1)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 16977077 MLWACVSOGSAEHA-UHFFFAOYSA-N 400.485 4.310 5 50 HIBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2sc(=O)oc2c2ccccc12 4149967 CDQCTDKSRHVWHG-UHFFFAOYSA-N 416.436 4.025 5 50 HIBA CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)c2)CC1 4688238 SXXZOEIIAUFTSI-GOSISDBHSA-N 410.518 4.463 5 50 HIBA Cn1cc(NC(=O)c2cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3[nH]2)c(C(F)F)n1 2325861860 APEQBAISBIUALX-UHFFFAOYSA-N 403.267 4.018 5 50 HIBA CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1C[C@H](C)CC2 1204635 DYFTVFJHLUMUDE-LLVKDONJSA-N 418.471 4.219 5 50 HIBA CCOc1cc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(OCC)c1OCC 4599388 MFXMQOKMFAHXBT-UHFFFAOYSA-N 404.419 4.052 5 50 HIBA Cc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] 1173213 DQIYNRZNERFZGG-UHFFFAOYSA-N 418.405 4.195 5 50 HIBA aggregator Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 9601180 LDDNNZHPSRJZPU-UHFFFAOYSA-N 417.878 4.083 5 50 HIBA COc1ccc(C(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1[N+](=O)[O-] 2881155 QGRRBNRTMKMSBV-UHFFFAOYSA-N 415.405 4.475 5 50 HIBA O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c(ccc3ccccc32)[nH]1 731501616 YWXIIEQSKJKZNT-OAQYLSRUSA-N 415.405 4.192 5 50 HIBA Cc1c(C(=O)O)cccc1N1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 1208344 SCILHGCBKZJSAK-UHFFFAOYSA-N 418.361 4.194 5 50 HIBA CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c(-c3ccccn3)cccc12 4542208 PCCHRSGCQISAIN-UHFFFAOYSA-N 415.405 4.317 5 50 HIBA CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 5064298 UEIIKVFZPFEXKH-QGZVFWFLSA-N 402.248 4.445 5 50 HIBA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1206509 JZEHXBQNSMVHOR-UHFFFAOYSA-N 417.450 4.213 5 50 HIBA CN(C)Cc1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 436094654 UZLPAKFFVYAVOW-UHFFFAOYSA-N 407.420 4.273 5 50 HIBA COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1[N+](=O)[O-] 1228681 PBWLOPTUHXFCFT-UHFFFAOYSA-N 405.410 4.416 5 50 HIBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@]2(C1)OCc1ccccc12 445216898 UATSOBJGOBPKQN-AREMUKBSSA-N 410.473 4.343 5 50 HIBA Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1[N+](=O)[O-] 1852027 YIXCULZKTHHJCO-UHFFFAOYSA-N 401.374 4.154 5 50 HIBA O=[N+]([O-])c1c(Nc2ccccc2I)cc(Cl)c2nonc12 8931830 CRPMPIWOSMLBQL-UHFFFAOYSA-N 416.562 4.133 5 50 HIBA Cc1ccccc1Cn1c(=N)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 20841643 BYVFNXMEILMAAK-UHFFFAOYSA-N 400.438 4.070 5 50 HIBA aggregator Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)n1-c1ccccc1[N+](=O)[O-])C(=O)N2 32625305 VNCNKWHZODSFOZ-GHRIWEEISA-N 424.416 4.095 5 50 HIBA Cn1c(SCc2ccccc2Br)nnc1-c1ccc([N+](=O)[O-])cc1 1158610 IDKORPCVVKPQDI-UHFFFAOYSA-N 405.277 4.445 5 50 HIBA CC(C)CNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 4740890 ROCUCRLKZPFRMF-UHFFFAOYSA-N 416.909 4.279 5 50 HIBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 170634244 QKOABHBLQSXFIU-UHFFFAOYSA-N 402.454 4.355 5 50 HIBA Cc1cccc(C2(O)CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)c1C 815698352 HXQJINFUATYFCH-UHFFFAOYSA-N 422.403 4.354 5 50 HIBA O=C(c1ccccc1)c1ccc(NC2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 225647797 HOVFBTQHDGMSSF-UHFFFAOYSA-N 416.481 4.297 5 50 HIBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1cccs1 1070380 RUDHXNKRYAEBSP-UHFFFAOYSA-N 411.439 4.478 5 50 HIBA O=C(NCc1ccccc1F)c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 2761875 OKUJKEUQXDACRG-UHFFFAOYSA-N 404.781 4.489 5 50 HIBA Cc1nn(C(=O)COc2ccc(F)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 1192109 YMBDUDAAYSJGMX-UHFFFAOYSA-N 401.419 4.418 5 50 HIBA Cc1ccn2cc(-c3cccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 4426979 RXRQZXFOBHBMAI-UHFFFAOYSA-N 408.439 4.019 5 50 HIBA O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl 9554223 MBMHTSACPGPJKQ-UHFFFAOYSA-N 423.725 4.387 5 50 HIBA O=C(Oc1ccc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1 1230032 NPCGMGPQAPWHFA-UHFFFAOYSA-N 401.010 4.339 5 50 HIBA CO[C@](F)(C(=O)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)C(F)(F)F 2491787 ZRWHEVBODAPQMW-OAHLLOKOSA-N 406.263 4.339 5 50 HIBA O=C1N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 1133367 YOXFJJSIAAOUDA-LDADJPATSA-N 408.801 4.136 5 50 HIBA CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] 1207895 QBRXONFSCZGLFB-UHFFFAOYSA-N 404.382 4.449 5 50 HIBA O=C(Oc1cc(O)c(C(=O)CCc2ccc([N+](=O)[O-])cc2)c(O)c1)c1ccccc1 3122418 FRVQMBCJRXZXKU-UHFFFAOYSA-N 407.378 4.041 5 50 HIBA Cc1cc(O)nc(Sc2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)n1 18107085 KNWRBHPCWWGTLG-UHFFFAOYSA-N 406.423 4.059 5 50 HIBA O=[N+]([O-])c1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2cccc(C(F)(F)F)c2)cc1 1744537 XGUHZIQJPOZSPO-HXUWFJFHSA-N 420.411 4.264 5 50 HIBA O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Cl 2983085 BLBBVELUXDOMAZ-UHFFFAOYSA-N 418.887 4.499 5 50 HIBA CCC(CC)[C@@H]1C[C@@H](NC(=O)c2sc(Br)cc2[N+](=O)[O-])CCO1 225549223 UPEDDBGWKMJIBO-JQWIXIFHSA-N 405.314 4.132 5 50 HIBA O=C1Nc2ccc([N+](=O)[O-])cc2NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 5948364 RRBANWVOPAFHKV-QZNJRLLKSA-N 411.417 4.009 5 50 HIBA CCCOc1ccc(-c2nc3cc4c(cc3[nH]2)[n+](=O)c2ccccc2n4O)cc1OC 25576477 GYTCCNUZWXIZPU-UHFFFAOYSA-N 417.445 4.287 5 50 HIBA O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 1125917 NMOVDBLBAWIBEF-UHFFFAOYSA-N 409.829 4.431 5 50 HIBA Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2942749 MYVIOPJODANRSA-UHFFFAOYSA-N 418.405 4.195 5 50 HIBA Cc1ccc(S(=O)(=O)CC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2859491 IDHJMZGBDUTLFV-UHFFFAOYSA-N 411.435 4.352 5 50 HIBA COC(=O)c1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 942061 WKMWAXDIFSHGDJ-UHFFFAOYSA-N 413.611 4.050 5 50 HIBA O=C(Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 6863796 LPHUJMSALIIJJN-UHFFFAOYSA-N 406.354 4.008 5 50 HIBA CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1[N+](=O)[O-] 1185135 NZYUXIIQOIQPMS-UHFFFAOYSA-N 417.425 4.288 5 50 HIBA CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1141011 JPGYLRUIJZQGFR-UHFFFAOYSA-N 405.410 4.498 5 50 HIBA Cn1c(SCc2ccc(Br)c([N+](=O)[O-])c2)nnc1-c1ccccc1 170617562 XZLZGUANNOFQFQ-UHFFFAOYSA-N 405.277 4.445 5 50 HIBA COc1ccc(O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2OC)cc1 1145872 MOWWIWJKBDEMHS-FGZHOGPDSA-N 420.421 4.148 5 50 HIBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 1161627 KWIYNEUGXAGPHU-UHFFFAOYSA-N 416.393 4.329 5 50 HIBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 8781027 OKHABPHXOYUDNN-UHFFFAOYSA-N 419.890 4.182 5 50 HIBA Cc1ccc(S(=O)(=O)NC[C@@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 1203219 VUJSTRXEYHMUMK-OAQYLSRUSA-N 412.467 4.002 5 50 HIBA CCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 2977985 RVQNLFVKRSINSD-LJQANCHMSA-N 423.454 4.003 5 50 HIBA Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 844265997 KGENKVRMQQDWQF-INIZCTEOSA-N 409.229 4.035 5 50 HIBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1 1176190 PAMZGNIFKHAHQU-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NCc1ccco1 2771217 HSIFYKIPYVDRDE-UHFFFAOYSA-N 411.370 4.137 5 50 HIBA Cc1nc(NS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c(-c2ccccc2)s1 170617690 CBTSYMIBDCIYQV-UHFFFAOYSA-N 414.468 4.309 5 50 HIBA Cc1ccc(Sc2c(C)nn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)cc1 2474972 FDISWLXZGRXZHX-UHFFFAOYSA-N 403.485 4.105 5 50 HIBA Cc1ccc(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 1177324 OQWOSSBRBQANBL-UHFFFAOYSA-N 410.451 4.247 5 50 HIBA COCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCOC)ccc12 1775975781 LICAPEQUYDGONO-UHFFFAOYSA-N 420.417 4.308 5 50 HIBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 4119381 GDVOHMWOGCXIPY-UHFFFAOYSA-N 412.671 4.243 5 50 HIBA Cc1csc(Sc2ccc(-c3nc(Cc4ccno4)no3)cc2[N+](=O)[O-])n1 1875260137 PODCMUIQLDSPFE-UHFFFAOYSA-N 401.429 4.140 5 50 HIBA Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 4826221 BABQCHCONCHDLV-UHFFFAOYSA-N 419.437 4.481 5 50 HIBA O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl 8856494 YMCILEBRKJLBFO-UHFFFAOYSA-N 411.780 4.374 5 50 HIBA O=[N+]([O-])c1ccc(NC(=S)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)cc1 16361052 BGBRAPPSSZCVQO-UHFFFAOYSA-N 422.392 4.062 5 50 HIBA COc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 1150738 XRNHUGARTOYHJG-CXUHLZMHSA-N 404.831 4.493 5 50 HIBA O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2ccccc2)nc1NCc1cccs1 4829065 CLXQYAOEAXECTF-UHFFFAOYSA-N 405.439 4.215 5 50 HIBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(I)ccc1Cl 4689085 LEXAWGDBKBBNEH-UHFFFAOYSA-N 402.575 4.105 5 50 HIBA O=C(O)c1ccc(Sc2nnc(-c3cccc(Br)c3)o2)c([N+](=O)[O-])c1 1077898 HLBQXKWSQHMOGB-UHFFFAOYSA-N 422.216 4.257 5 50 HIBA O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 1181613 OVGGKTHNXLXETA-UHFFFAOYSA-N 409.442 4.379 5 50 HIBA O=[N+]([O-])c1ccc(COC2[C@H]3C=C[C@H]2[C@H]2[C@H]3[C@H]3O[C@H]2c2ccccc23)c([N+](=O)[O-])c1 254707083 MUGRAYNVWBIOLK-AHFNSMAVSA-N 406.394 4.263 5 50 HIBA O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2cccnc12 4833043 KTNUSUFAZGYLIT-UHFFFAOYSA-N 413.817 4.259 5 50 HIBA Cc1c(O)ccc2c1oc1c(-c3cc4cccc5c4n(c3=O)CC5)c3cn[nH]c3nc12 218257786 MYRSBRKRGDIIHT-UHFFFAOYSA-N 408.417 4.409 5 50 HIBA O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1Nc1ccc(Cl)c(C(F)(F)F)c1 4179523 FGGPRZRITJGCNL-UHFFFAOYSA-N 403.660 4.455 5 50 HIBA Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1Br 16311816 VCWQDRGFMDYMFO-UHFFFAOYSA-N 421.276 4.273 5 50 HIBA COc1cc(OC)c(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)cc1OC 253412620 ROAKUJVUGGSAHF-UHFFFAOYSA-N 405.410 4.266 5 50 HIBA biogenic O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4187707 CYVDFTIWUVTUME-UHFFFAOYSA-N 413.783 4.229 5 50 HIBA O=[N+]([O-])c1ccc2o[nH]c(=NCC3(c4cc(F)cc(Br)c4)CC3)c2c1 1875341365 QFOXNNBWPCHFGR-UHFFFAOYSA-N 406.211 4.203 5 50 HIBA CSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1-2 1118879 YMUTXGSDVQOTNS-HNNXBMFYSA-N 401.835 4.325 5 50 HIBA O=C(CCC(=O)N1CCn2cnnc2C1)c1ccc2ccc3cccc4ccc1c2c34 746601145 KHKMNGQJKGJOTB-UHFFFAOYSA-N 408.461 4.181 5 50 HIBA COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Br)cc1 1058373 CDVCHDIWUBTFFB-UHFFFAOYSA-N 411.277 4.238 5 50 HIBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@]2(C1)OCc1ccccc12 445216909 UATSOBJGOBPKQN-SANMLTNESA-N 410.473 4.343 5 50 HIBA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 921012 RCXSBEKBQYBBEU-GFCCVEGCSA-N 401.488 4.159 5 50 HIBA Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Br)ccc1[N+](=O)[O-] 253419749 SBLQNUPAFVBTMZ-UHFFFAOYSA-N 405.657 4.120 5 50 HIBA Cc1ccc([N+](=O)[O-])cc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 2190193 KYCJPAZRHFCYGS-UHFFFAOYSA-N 419.349 4.404 5 50 HIBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 4820010 NHISFSJTHSCYFI-UHFFFAOYSA-N 413.821 4.031 5 50 HIBA O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1Cc1ccccc1 2312985 AFDJIQKZZHUVLS-UHFFFAOYSA-N 417.472 4.391 5 50 HIBA O=[N+]([O-])c1ccc(Sc2nnc(-c3cccc(Br)c3)o2)c([N+](=O)[O-])c1 3251636 PSDVGNCQDHKWQF-UHFFFAOYSA-N 423.204 4.467 5 50 HIBA C[C@@H](Nc1cc(N2CCN(C(=O)c3ccco3)CC2)ccc1[N+](=O)[O-])c1ccccc1 4092217 PQKHKKYXMWZPAU-QGZVFWFLSA-N 420.469 4.323 5 50 HIBA COC(=O)c1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 959446 FREFLAPDDPZQIE-UHFFFAOYSA-N 415.345 4.098 5 50 HIBA Cc1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c(C)c([N+](=O)[O-])c1 6459142 BRJXHBOHLROBQQ-JAIQZWGSSA-N 417.446 4.242 5 50 HIBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(NC(=O)c2ccco2)c1 4832968 BMNBHNDPCXPRBV-UHFFFAOYSA-N 400.774 4.451 5 50 HIBA COc1ccc(N2C(=O)c3ccc(Oc4ccccc4OC)cc3C2=O)c([N+](=O)[O-])c1 16156086 YFYRHBUNEHWJDW-UHFFFAOYSA-N 420.377 4.205 5 50 HIBA COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 5094349 TWEJSOJSLXPPFW-JXMROGBWSA-N 407.382 4.101 5 50 HIBA CC(=O)c1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 711819 KIXNVYBCSFRSCF-UHFFFAOYSA-N 402.362 4.390 5 50 HIBA O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 5052602 PZWJPJFYIXULLD-QPEQYQDCSA-N 407.607 4.355 5 50 HIBA Cc1ccc(C(=O)c2cc3c(cc2NC(=O)c2ccc([N+](=O)[O-])cc2)OCCO3)cc1 1076941 OHSSACNKBKQROH-UHFFFAOYSA-N 418.405 4.158 5 50 HIBA O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1[N+](=O)[O-] 1171521 SHVADOOLPSEQBP-UHFFFAOYSA-N 417.450 4.265 5 50 HIBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)c1Cl 253428489 LDKAKEVBGLCOKD-UHFFFAOYSA-N 408.785 4.314 5 50 HIBA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 676357 UBTMHUHQGPUAFM-UHFFFAOYSA-N 416.411 4.354 5 50 HIBA C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229532434 DAOOVLYQDZZLEV-SCLBCKFNSA-N 414.849 4.433 5 50 HIBA CCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 1006726 WSYNCRRWXNSKSS-IBGZPJMESA-N 423.454 4.003 5 50 HIBA COc1ccc(CSc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1[N+](=O)[O-] 2999717 OIINPUVVSSUKPJ-UHFFFAOYSA-N 416.484 4.308 5 50 HIBA Cc1nc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)sc1C(=O)N(C)C 16400386 BAHXEMXNPFRTQD-UHFFFAOYSA-N 424.891 4.182 5 50 HIBA O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc2c(=O)c3ccccc3[nH]c12 444852512 UALVMNZAQRWZMI-UHFFFAOYSA-N 411.461 4.451 5 50 HIBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2c(c1)OCCO2 2890906 AJOKXUAYIMXTEJ-UHFFFAOYSA-N 414.464 4.465 5 50 HIBA O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 20363768 AQQAHIAABAJDER-UHFFFAOYSA-N 409.273 4.251 5 50 HIBA O=C(Cn1nc(-c2cccc(Br)c2)oc1=S)c1ccc([N+](=O)[O-])cc1 2597859 ZRSKGQHWPIMTRM-UHFFFAOYSA-N 420.244 4.426 5 50 HIBA Cc1cc(I)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 940158 YDVMJYQFKPJPBA-VMPITWQZSA-N 408.195 4.160 5 50 HIBA Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)OCc2ccccc2)cc1 4918206 LBVWEYUIXRJCLF-JCMHNJIXSA-N 416.433 4.418 5 50 HIBA CC(C)NC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 5005410 GRYSODCMWZFBKC-XSFVSMFZSA-N 419.437 4.150 5 50 HIBA C[C@H](c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 244708348 KSAGMQGUJRTNNG-LUHAHOJSSA-N 424.456 4.028 5 50 HIBA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(I)ccc1Cl 1184174 FHSNCOKKNZRFHA-UHFFFAOYSA-N 420.565 4.244 5 50 HIBA CCOC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCC)cc1 4653346 GKZJJVYCKCEDCT-GOSISDBHSA-N 420.849 4.071 5 50 HIBA Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 3074398 VCRYKKJSLYCBHY-UHFFFAOYSA-N 423.903 4.450 5 50 HIBA aggregator O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nnc(Cc2ccc(Cl)cc2)s1 1131504 VFVWRAXFQSRVJD-JXMROGBWSA-N 400.847 4.342 5 50 HIBA O=C(NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 4687363 XNULUHXCHSUXFP-UHFFFAOYSA-N 401.772 4.499 5 50 HIBA O=[N+]([O-])c1ccc(-c2cc(O)n3nc(-c4ccc(Br)cc4)cc3n2)cc1 845768 CINHZAYFVNHVAH-UHFFFAOYSA-N 411.215 4.440 5 50 HIBA COc1ccc(-c2ccc(/C=C/c3cc(C(F)(F)F)nc(=O)[nH]3)o2)c([N+](=O)[O-])c1 5611087 HUXFLCMLFDZFJS-NSCUHMNNSA-N 407.304 4.136 5 50 HIBA Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 5065434 MKJKYBWPGAOPCG-HSZRJFAPSA-N 414.421 4.089 5 50 HIBA CCOc1ccc(NC(=S)Nc2sc3c(c2C(=O)OC)CCC3)c([N+](=O)[O-])c1 16361075 AARZRMNSFMVFAX-UHFFFAOYSA-N 421.500 4.139 5 50 HIBA COc1cccc(C(=O)COc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 1109164 MYDQFCNKIUKJKS-UHFFFAOYSA-N 406.394 4.117 5 50 HIBA Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])cc1 22077896 DOSNUNYVPBCSLT-JOCHJYFZSA-N 414.469 4.100 5 50 HIBA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1[N+](=O)[O-] 1109573 KDFUJEKXQWQFLQ-UHFFFAOYSA-N 421.438 4.165 5 50 HIBA Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCc2ccccc2)cc1 4949477 OJVMUOPMGDHFCR-JCMHNJIXSA-N 416.433 4.418 5 50 HIBA COC(=O)[C@@H](NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 1875309380 MWFSIYRJXYDSTP-KSEUIEODSA-N 422.359 4.047 5 50 HIBA CCOC(=O)COc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1C 1129585 KMXXGFAQEXBZMM-UHFFFAOYSA-N 413.382 4.052 5 50 HIBA O=[N+]([O-])c1c(Nc2ccc(Br)cc2Br)ccc2nonc12 3879026 INDJCECIRWQIJC-UHFFFAOYSA-N 414.013 4.400 5 50 HIBA O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 950623 PDLOCSLSAXLGIZ-UHFFFAOYSA-N 408.254 4.159 5 50 HIBA