smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc([N+](=O)[O-])c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575671 KDWKAYHOATXADF-KNQAVFIVSA-N 391.379 4.486 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccc([N+](=O)[O-])cc2)N1 587752894 ULPYEHAMOPIZSB-BMIGLBTASA-N 395.228 4.151 5 1 GIBF Cc1c([C@H](C)[C@H](C)O)c(O)c2oc3cc(=O)c(C)c4c-3c(c2c1O)O[C@H](C)[C@@H]4C 2356543137 HESPWWKIRCFDQL-FIDNZITISA-N 398.455 4.295 5 1 GIBF Cc1c2c(c3oc4cc(=O)c(O)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@@H](C)[C@@H]2C 2356782234 DEZZBYAETRDOKW-MPKXCIJOSA-N 382.412 4.386 5 1 GIBF CCOc1cc2c(cc1OC)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21 1557692 UUQCJTCEQAZPGT-UHFFFAOYSA-N 378.448 4.395 5 1 GIBF COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-] 3815199 CZBTZBBBQGIOGA-UHFFFAOYSA-N 375.182 4.053 5 1 GIBF O=c1oc2ccccc2c(O)c1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 84668368 XZAVSRMRDSNEFT-UHFFFAOYSA-N 381.369 4.274 5 1 GIBF COc1cccc2cc(-c3ccc4c(=O)oc5c(C)cccc5c4n3)c(=O)oc12 103198787 UPXYDXYKCYTHFN-UHFFFAOYSA-N 385.375 4.432 5 1 GIBF Cc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980340 VPXVBMWJAOIEHB-UHFFFAOYSA-N 395.144 4.256 5 1 GIBF O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(-c2ccccc2)c1 1857576189 WLAHWEAFTRZIBK-UHFFFAOYSA-N 376.328 4.240 5 1 GIBF COc1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1[N+](=O)[O-] 28978564 LGLKATODTQDQGB-KRWDZBQOSA-N 395.198 4.003 5 1 GIBF O=C(c1cc([N+](=O)[O-])ccc1Br)c1coc2cc([N+](=O)[O-])ccc12 587279020 DMWWCJLMASIIHR-UHFFFAOYSA-N 391.133 4.243 5 1 GIBF Cc1c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905279 IZDYNXVSLSGQGO-SNVBAGLBSA-N 392.209 4.172 5 1 GIBF CC(C)(C)OC(=O)[C@H](N)CCc1nc2c3ccccc3c3ccccc3c2[nH]1 587257027 XQGYXGKEIXJOJH-GOSISDBHSA-N 375.472 4.471 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(Cl)c2[nH]1 587265772 XRAZZWJSUFJYER-JTQLQIEISA-N 389.795 4.476 5 1 GIBF Cc1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1C 587269652 LBSFITJSQFECHP-UHFFFAOYSA-N 378.432 4.108 5 1 GIBF O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCN1CCCC1)C2 473154766 LNVSWKMRGVHFQH-SFHVURJKSA-N 387.483 4.056 5 1 GIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(S)nc(S)nc2[nH]1 586974020 TVOICBJIVBWXBJ-UHFFFAOYSA-N 393.519 4.254 5 1 GIBF COC(=O)c1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1OC 587264285 FKDGJIRHYMSVQE-UHFFFAOYSA-N 393.355 4.193 5 1 GIBF COc1ccc2c(CN3CCCC[C@H]3C(=O)O)cc3cc4c(cc3c2c1)OCO4 28706142 ZYUSPOJDSQTADH-FQEVSTJZSA-N 393.439 4.169 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587261803 IIYIUQHDPAXMGF-UHFFFAOYSA-N 399.410 4.497 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc([N+](=O)[O-])c2F)N1 587724998 AZYBLPGSAYYIBX-HUTHGQBESA-N 397.219 4.433 5 1 GIBF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746480 KCFRDTFGZXGMQF-XYZCENFISA-N 395.228 4.129 5 1 GIBF Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2cccc3ccccc23)o1 95603213 CWQGPHCQTSSQBG-UHFFFAOYSA-N 381.417 4.095 5 1 GIBF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587242627 XPBRPQXZIOUDEH-UHFFFAOYSA-N 388.355 4.330 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576945 QFRFAPOXZNWJSR-NQIIRXRSSA-N 393.351 4.012 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1F 587017260 INWIGBURJDGMAP-UHFFFAOYSA-N 382.376 4.336 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1C)[C@@H](C2)C3=O 587431777 GJWPZENXYGNVBO-AOMKIAJQSA-N 390.395 4.191 5 1 GIBF COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc([N+](=O)[O-])c1O 169290373 AYUUUJGKWUWJBU-RQSKZDRZSA-N 375.421 4.080 5 1 GIBF O=C(c1cc2n(n1)C(C(F)F)=CC(=C1CC1)N2)c1coc2cc([N+](=O)[O-])ccc12 587280323 SOGOPVPZYRMTIT-UHFFFAOYSA-N 398.325 4.348 5 1 GIBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336056 NCTUXIFRBVGVDG-DRWCTHJISA-N 387.407 4.484 5 1 GIBF COc1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c([N+](=O)[O-])c1 587862781 JDIPQSPRVDQVMY-UHFFFAOYSA-N 393.321 4.484 5 1 GIBF C[N+](C)(Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1)C1CCOCC1 34804377 CKDJUYZJEQUUGO-DHZHZOJOSA-O 383.487 4.233 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Cl 587006533 FTDBYUQLVLZRGH-UHFFFAOYSA-N 392.600 4.430 5 1 GIBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587121398 AVIBXXNSEIUMGU-UHFFFAOYSA-N 389.293 4.288 5 1 GIBF CN(C)/C=C\[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511324 FXEOKGAWRSQEGK-FRHQNKJESA-N 392.455 4.410 5 1 GIBF COc1ccc(CCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC 587927399 UCHKIXLFLBINGG-UHFFFAOYSA-N 375.812 4.317 5 1 GIBF Cc1nc(-c2ccccc2)sc1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587013033 YIQVQSPYOILUKE-UHFFFAOYSA-N 395.400 4.402 5 1 GIBF COc1ccc2c3nc4cc(Cl)ccc4n(CCCN(C)C)c-3cc(=O)c2c1 299863958 QOEREFFQFXIKCR-UHFFFAOYSA-N 395.890 4.268 5 1 GIBF C[N+](C)(CCCCc1ccc(-c2ccccc2)cc1)CCCCS(=O)(=O)O 26576113 ABDBADMXMBVQSM-UHFFFAOYSA-O 390.569 4.421 5 1 GIBF Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1F 71316539 VGZQPKZHFCOZCW-UHFFFAOYSA-N 384.414 4.387 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Cl 587007269 XMFUEMLUUMXXHD-UHFFFAOYSA-N 392.600 4.202 5 1 GIBF COc1cc(F)ccc1-c1cccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587159802 ZJZNDYMKCSHHGG-UHFFFAOYSA-N 378.363 4.272 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576158 MYBSVXDJUDRSKW-RXVVDRJESA-N 377.352 4.312 5 1 GIBF COc1cccc2c3c(cnc12)CCN[C@]3(C)CSc1ccccc1[N+](=O)[O-] 963044772 CQYVKRVXUNWLSH-OAQYLSRUSA-N 395.484 4.305 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3ccc(Cl)nc3[nH]2)c(C)c1[N+](=O)[O-] 587265128 NGWAKVKJSVLAJE-UHFFFAOYSA-N 382.811 4.048 5 1 GIBF O=C(Nc1ccc(F)cc1)c1ccc(SCc2cc([N+](=O)[O-])ccc2O)nc1 145239860 XRRSXQLIDSQDJM-UHFFFAOYSA-N 399.403 4.379 5 1 GIBF Cc1onc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c1COc1ccc(Cl)cc1 587076415 SGKCUTODZAPDCH-UHFFFAOYSA-N 385.767 4.062 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2F)N1 587725273 OIMFOINBJRTANF-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587747081 LWLLAWWIQSQEOT-HWPZZCPQSA-N 379.229 4.428 5 1 GIBF CCOc1ccc2c(c1OCC)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 59586801 WFTPTEQJGQREQL-INIZCTEOSA-O 384.496 4.095 5 1 GIBF biogenic,in-vitro C[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569241 PSTGCGJKESXSQO-NQIIRXRSSA-N 395.342 4.317 5 1 GIBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)CSc1ccccc1[N+](=O)[O-] 963614031 WBNOAJFHPRIQGQ-XCLFUZPHSA-N 388.489 4.154 5 1 GIBF COc1ccc(C[C@H]2c3cccc(Br)c3CC[N+]2(C)C)cc1OC 13648612 DFZPTBCGDPDLJR-SFHVURJKSA-N 391.329 4.383 5 1 GIBF Oc1ccc(C2(c3nc4c5cccnc5c5ncccc5c4[nH]3)CCOCC2)cc1 586912295 BRDUVRZLSHQHKV-UHFFFAOYSA-N 396.450 4.461 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2[N+](=O)[O-])N1 587731291 YXIRCQDFWCFCIC-XYZCENFISA-N 397.219 4.433 5 1 GIBF CN1C(=O)c2c(n3cccc3c3[nH]c4ccc(OCc5ccccc5)cc4c23)C1=O 28870926 LUYTWKQSXTUSAM-UHFFFAOYSA-N 395.418 4.379 5 1 GIBF CCN(CC)c1ccc2nc3c4ccccc4c(=NCCC(=O)O)cc-3oc2c1 377806645 NUBVHDBAPUULHL-UHFFFAOYSA-N 389.455 4.307 5 1 GIBF O=c1ccc2cc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)ccc2o1 586916534 AYOGJZHUKPMITB-UHFFFAOYSA-N 386.161 4.007 5 1 GIBF COc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260937 MGAUBDCFJHMMIA-UHFFFAOYSA-N 396.172 4.057 5 1 GIBF Cc1cc(Br)ccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1CC(=O)O 587644231 QZGOLUOPKVLCBU-UHFFFAOYSA-N 389.205 4.441 5 1 GIBF COc1ccccc1NC(=O)c1cccnc1Sc1ccc([N+](=O)[O-])cc1 87328087 QUQSMHQJVATPAO-UHFFFAOYSA-N 381.413 4.402 5 1 GIBF O=c1oc2cc(OCCCCCOc3ccccc3)ccc2c(O)c1[N+](=O)[O-] 169337540 YDQQWAUYRRZKCA-UHFFFAOYSA-N 385.372 4.035 5 1 GIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Br)ccnc4[nH]3)c2)c1 587270892 VXUCRSGIJWCCNO-UHFFFAOYSA-N 396.204 4.358 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2[N+](=O)[O-])N1 587734702 UYMMGENWISNMDH-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2[N+](=O)[O-])N1 587734711 UYMMGENWISNMDH-ZKANADHPSA-N 383.192 4.259 5 1 GIBF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1c[nH]c2cccc([N+](=O)[O-])c12 963054457 JHDXKRYTGCYOTC-JOCHJYFZSA-N 388.427 4.042 5 1 GIBF O=[N+]([O-])c1cccc(NCc2ccc(CNc3cccc([N+](=O)[O-])c3)nc2)c1 1857557226 YFHYSSOZIIQFEA-UHFFFAOYSA-N 379.376 4.122 5 1 GIBF COc1cc2c3cc(OC)c(OC)cc3c3c[n+]4c(cc3c2cc1OC)CCC4 13360263 LJKFGEXLZSHJSE-UHFFFAOYSA-N 390.459 4.414 5 1 GIBF COc1ccc(C[C@@H]2c3cccc(Br)c3CC[N+]2(C)C)cc1OC 13648610 DFZPTBCGDPDLJR-GOSISDBHSA-N 391.329 4.383 5 1 GIBF COc1cc2cc(OC)c3c4ccc(OC)c(OC)c4c[n+](C)c3c2cc1OC 34035306 CNKGXSBPJQHCKK-UHFFFAOYSA-N 394.447 4.014 5 1 GIBF COc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)nn1-c1ccccc1F 587155259 CCUOKBAMINEKQM-UHFFFAOYSA-N 387.758 4.125 5 1 GIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)c1 587270302 LTEFSQACCQIJEM-UHFFFAOYSA-N 379.307 4.247 5 1 GIBF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587745732 IIXALWFJPGBBLO-HUTHGQBESA-N 395.228 4.129 5 1 GIBF COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cn1 586974901 XPJQRXXBRXGQOR-UHFFFAOYSA-N 386.433 4.068 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)c(C)cc2[nH]1 587265755 XPRBTQGGZGNTHG-ZDUSSCGKSA-N 383.404 4.439 5 1 GIBF COc1cc([N+](=O)[O-])c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587511255 OGMGLPBDLOFVDZ-QFIPXVFZSA-N 397.427 4.371 5 1 GIBF O=C1C[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 587512858 PAQVNCJGMHNIMI-IBGZPJMESA-N 393.399 4.018 5 1 GIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cncc(Cl)c2)cc1NN1CCCCC1 15936803 FQYSCCOBHNYWGH-UHFFFAOYSA-N 393.787 4.157 5 3 GIBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3ccccc3cc2[nH]1 587118935 UOPINQORXNKVFY-UHFFFAOYSA-N 375.310 4.196 5 1 GIBF COc1c(C)cc2c([nH]c3c2c(F)cc2c(=O)c(C(=O)O)cn(C4CC4)c23)c1C 58590914 LWOIUDGUXQQNJE-UHFFFAOYSA-N 394.402 4.434 5 1 GIBF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82221482 KRLJVSHJZYCFDN-UHFFFAOYSA-N 379.420 4.314 5 1 GIBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586890465 PNZVFICEWKKGBE-QLJPJBMISA-N 390.237 4.379 5 1 GIBF C[C@H]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2[N+](=O)[O-])C1 169339453 MMCMGCRXLHKELO-LBPRGKRZSA-N 389.839 4.442 5 1 GIBF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587247065 GHPFJJUINRTHHZ-UHFFFAOYSA-N 375.388 4.281 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)O2 587389599 LUNUYGQKHIEJMZ-JOCHJYFZSA-N 395.459 4.356 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1nc4ccc(F)cc4c4ncccc14)[C@@H](C2)C3=O 587429379 UUCGCLAWKNPANO-QMHKHESXSA-N 386.382 4.419 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3cccc([N+](=O)[O-])c3C2)N1 587749275 DHVBQUUZIKNVIS-YPMLDQLKSA-N 391.240 4.025 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc([N+](=O)[O-])cc32)N1 587752002 PLRGBBDYHGXYJO-YPMLDQLKSA-N 391.240 4.220 5 1 GIBF C[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173266 AUQVYMJHFQMPSR-HSZRJFAPSA-N 398.397 4.427 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587749451 YCCMCRPZYLYMQG-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF O=[N+]([O-])c1ccc(OCc2nc3cc(Br)cc(F)c3[nH]2)cc1F 587148228 FPXYUYJFOOKGBZ-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)CSc1ccccc1[N+](=O)[O-] 963614035 WBNOAJFHPRIQGQ-ZUOKHONESA-N 388.489 4.154 5 1 GIBF CN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)nc2c1ccc1ccccc12 1857564444 ULMYVHHQIAYKJJ-UHFFFAOYSA-N 387.458 4.486 5 1 GIBF Cc1ccc(C(=O)OC2(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 1857609326 WJOCOWZAOGMAPS-UHFFFAOYSA-N 382.416 4.402 5 1 GIBF O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(Cl)(C(F)(F)F)C(F)(F)F 68574199 AQVCHODCTIZCSA-UHFFFAOYSA-N 385.047 4.289 5 1 GIBF biogenic O=[N+]([O-])c1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1[N+](=O)[O-] 587068293 PGEBNJUBADYDBG-UHFFFAOYSA-N 384.739 4.090 5 1 GIBF CSc1cccc(-c2ccccc2CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c1 45256897 YWGMPSLPFZECAN-INIZCTEOSA-N 397.456 4.158 5 1 GIBF Cc1cc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2cc1[N+](=O)[O-] 587110318 ZAEVEUPBCWGRSM-UHFFFAOYSA-N 380.282 4.297 5 1 GIBF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587190536 KZYUMFDYYCFLCR-KRWDZBQOSA-N 382.420 4.427 5 1 GIBF COc1ccc2c(c1OC)[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)N(C)[C@H](C)C2 962642547 ZBRSGANPFHTRGE-ODXCJYRJSA-N 390.867 4.405 5 1 GIBF COc1cc2c3c(c4ccc(OC(C)=O)cc4c2cc1OC)CN1CCC[C@H]1C3 103187330 KAGYJISPOFYUGD-HNNXBMFYSA-N 391.467 4.456 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Br)c1[N+](=O)[O-])O2 587378049 RMZKMSXLLQKVKB-QGZVFWFLSA-N 391.221 4.129 5 1 GIBF CCCc1c(O)ccc2c1O[C@@H](c1coc3ccc([N+](=O)[O-])cc3c1=O)CC2=O 587472240 YYVYDDVAGQZZLT-LJQANCHMSA-N 395.367 4.066 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)N1 587748680 BGOIXLCLFFGFSP-XTZNXHDOSA-N 391.240 4.025 5 1 GIBF COc1cc2c([O])c3c4c(cc(OC)c(OC)c4c2cc1OC)cc(O)n3C 2356833889 HBEBOSYYGSGHBC-UHFFFAOYSA-N 382.392 4.369 5 1 GIBF COc1c(O)ccc(/C=C/C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1[N+](=O)[O-] 58538588 ZERAGDHGZNCIMG-YCABTFSVSA-N 375.421 4.080 5 1 GIBF CN(C)CCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95584662 LICSIDCWTMJBAK-UHFFFAOYSA-N 398.246 4.094 5 1 GIBF COc1cc2ncnc(Nc3cc4cccnc4c4ncccc34)c2cc1OC 95589572 ZXNDTWXTACXMJF-UHFFFAOYSA-N 383.411 4.487 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3cccc([N+](=O)[O-])c3)n1)O2 587411279 CNEPZRYVOZYFCA-KRWDZBQOSA-N 381.413 4.315 5 1 GIBF COC(=O)c1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cc1 653699450 PACFSVDHTZVGAP-UHFFFAOYSA-N 394.214 4.395 5 1 GIBF Cc1cccc(NC(=O)Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1C 587239201 LRNUFIRTCWRHPA-UHFFFAOYSA-N 381.439 4.457 5 1 GIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cncc(Br)c4[nH]3)c2)c1 587270404 NXYWAQQJHPYCHU-UHFFFAOYSA-N 396.204 4.358 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587749800 ZJPZCCBBIIZGMC-HUTHGQBESA-N 395.228 4.129 5 1 GIBF CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 653706342 RCEVUDNEPLSFBC-MRXNPFEDSA-N 380.187 4.141 5 1 GIBF COc1cc2cnc3c4ccnc(NCCCN(C)C)c4ccc3c2cc1OC 49803915 NNHLYSCSLRUIDQ-UHFFFAOYSA-N 390.487 4.317 5 1 GIBF O=[N+]([O-])c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl 587077006 QPYRADHMKQWSMD-OAHLLOKOSA-N 377.187 4.395 5 1 GIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc([N+](=O)[O-])c1 587862966 NIMPNJBLOUFDQG-UHFFFAOYSA-N 391.305 4.174 5 1 GIBF Cc1cccc(C)c1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@+](C)([O-])[C@@H]1N2C 261186694 XQGVPPMHXIAEPH-UWDQQESISA-N 381.476 4.296 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3cccc([N+](=O)[O-])c3)n1)O2 587411291 CNEPZRYVOZYFCA-QGZVFWFLSA-N 381.413 4.315 5 1 GIBF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576108 MKXGQZDDEFRQNW-WIYYLYMNSA-N 377.352 4.312 5 1 GIBF Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587745706 IFDRIJWBJVZZBV-QFYYESIMSA-N 379.229 4.428 5 1 GIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)cc3)cc1)C2 45288048 LZTAUYWOXRZYQE-KRWDZBQOSA-N 385.807 4.090 5 1 GIBF COc1ccc(N/C=C(/[C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)[N+](=O)[O-])cc1 963118186 YYWQYCVTHYQMJF-KUTDZNSHSA-N 383.423 4.126 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587745498 HJEBVZMEBVIBOH-HUTHGQBESA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1ccc(NC2=C(Cl)[C@@]3(CCC2)NCCc2ccc(O)cc23)cc1 963339768 BSAZOFXUBADPMI-FQEVSTJZSA-N 385.851 4.388 5 1 GIBF COc1cc2c3c(c4cc5c(cc4c2cc1OC)OCCO5)C[C@H]1CCCN1C3 73311674 VJONHTGPEWFGJM-CQSZACIVSA-N 391.467 4.302 5 1 GIBF Cc1c(F)cccc1-c1cc(-c2nc3c(O)nc(S)nc3[nH]2)cc([N+](=O)[O-])c1 587136466 HZZIGEPZHPNRAX-UHFFFAOYSA-N 397.391 4.037 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(C)cc1[N+](=O)[O-])O2 587391252 TYQRSEQABJAWKJ-FQEVSTJZSA-N 377.400 4.291 5 1 GIBF COc1ccc2c(c1OC)[C@@]1(CCc3ccc([N+](=O)[O-])cc3CC1)N(C)[C@H](C)C2 962621325 JDLNDSRPMBZFAJ-CMJOXMDJSA-N 396.487 4.263 5 1 GIBF COc1ccc2c(c1OC)[C@]1(CCCc3c([N+](=O)[O-])cccc31)N(C)[C@@H](C)C2 962621549 HDUGUZOSIYRSGL-RCDICMHDSA-N 382.460 4.068 5 1 GIBF O=[N+]([O-])c1cccc([C@H]2c3sc4ccc(Cl)cc4c3N=C3NN=CN32)c1 1857599997 ROEYRWQIYVZPQA-HNNXBMFYSA-N 383.820 4.402 5 1 GIBF COc1cc2c(cc1O)c1c(c3c(C)c(OC)cc(O)c32)CN2CCC[C@@H]2C1 238732367 RSXVAABXMJIXRU-CYBMUJFWSA-N 379.456 4.250 5 1 GIBF COc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1F 586979715 INOUMXGEYGNAKD-UHFFFAOYSA-N 380.173 4.357 5 1 GIBF COC(=O)c1cc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1OC 587047483 IQPYOFLUEAPOMJ-XQRVVYSFSA-N 387.779 4.090 5 1 GIBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OC 587507222 BFNKZYFFUGRZCV-GOSISDBHSA-N 383.400 4.197 5 1 GIBF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747707 PSLOPXVAXSXXQM-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575892 LFCWSRBUSXDFNT-GHTZIAJQSA-N 377.352 4.312 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c([N+](=O)[O-])c2)N1 587713930 DMKGMUVKOZOTGL-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c([N+](=O)[O-])cc1F 587555367 GHSMUAJVXKFSGW-PXNSSMCTSA-N 399.305 4.282 5 1 GIBF C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557353 MWPHUZRDVUDVNS-RXVVDRJESA-N 395.342 4.317 5 1 GIBF CCS(=O)(=O)c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586921481 AOKNFOJOURCDOA-UHFFFAOYSA-N 388.452 4.120 5 1 GIBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3nc4ccccc4[nH]3)c2n1 1772586177 OVUWIBOUDHLMDV-UHFFFAOYSA-N 389.846 4.355 5 1 GIBF CC(=O)OCc1c(OCC=C(C)C)c(C)cc2oc3cccc(O)c3c(=O)c12 72107094 UVPZCNYUIFVAEP-UHFFFAOYSA-N 382.412 4.368 5 1 GIBF biogenic COc1cc(OC)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 586979302 AORNJNSYYAMQBN-UHFFFAOYSA-N 392.209 4.226 5 1 GIBF CCOC(=O)c1cc2c([nH]c3ccc(OC)cc32)c(-c2cccc([N+](=O)[O-])c2)n1 1857552591 RSTHZKWGLHRBOO-UHFFFAOYSA-N 391.383 4.477 5 1 GIBF C[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128377 KWQLTYQBYVKLAO-BYPYZUCNSA-N 392.700 4.201 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 587871392 GJJLCTWVXFNZPH-ZDUSSCGKSA-N 399.378 4.104 5 1 GIBF COc1ccc2oc3c4ccccc4oc(=O)c3c2c1C(=O)N1CCCCC1 1857588886 AOJMTSJHVTZEPM-UHFFFAOYSA-N 377.396 4.327 5 1 GIBF CC(=O)Nc1cccc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 1857630267 ZMCXMDUWKMWLHV-UHFFFAOYSA-N 399.410 4.329 5 1 GIBF Cc1cc(=O)[nH]c2ccc3c4c(C(=O)OC(C)(C)C)cccc4oc(=O)c3c12 29043566 GZDRPOACXXCLTP-UHFFFAOYSA-N 377.396 4.051 5 1 GIBF O=[N+]([O-])c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586999373 YUIOXLBPLYLWOJ-RJRFIUFISA-N 388.177 4.133 5 1 GIBF CCN1C(=O)C[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]1c1ccccc1Cl 587062177 VHQZNIXHTYKRRO-ACJLOTCBSA-N 384.823 4.202 5 1 GIBF COc1ccc2c(=O)oc3c4c(ccc3c3ccc(O)c1c23)C[C@@H](C)N[C@H]4C 2356704644 BRQBAYCSHJEJFL-NEPJUHHUSA-N 375.424 4.409 5 1 GIBF CCN(CC)CCNc1ccc2ncn3c4ccc(C(C)(C)C)cc4c(=O)c1c23 100755146 VTWOSGUKTWUNPS-UHFFFAOYSA-N 390.531 4.490 5 1 GIBF COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587631651 SDHIINQLGHCHIC-UHFFFAOYSA-N 377.759 4.438 5 1 GIBF COc1ccc2c(c1OC)[C@](Cc1ccccc1[N+](=O)[O-])(C1CC1)N(C)[C@H](C)C2 962618274 CBEQSEFVHCLNTD-CMJOXMDJSA-N 396.487 4.336 5 1 GIBF COc1cc(Cc2ccc3c([N+](=O)[O-])c(OC)ccc3c2O)cc(OC)c1OC 1857574118 QWEBWSBCVTUOMT-UHFFFAOYSA-N 399.399 4.079 5 1 GIBF O=[N+]([O-])c1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1 40408909 GMONMJXRYMRWBA-UHFFFAOYSA-N 398.488 4.040 5 1 GIBF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1C)O2 587389221 JZKCSHNWMSLAGO-HXUWFJFHSA-N 377.400 4.291 5 1 GIBF O=[N+]([O-])c1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1 43024751 SJGDWLKYZKBXOY-UHFFFAOYSA-N 377.385 4.098 5 1 GIBF COc1ccc2c(c1)CC[C@](N)(c1nc3cc4nc5ccccc5nc4cc3[nH]1)C2 587246674 INUJPRHWFPECMS-XMMPIXPASA-N 395.466 4.011 5 1 GIBF COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587631153 HYNDPPNSTUIOIV-UHFFFAOYSA-N 377.759 4.438 5 1 GIBF Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccsc3c2=O)cc1 1857567067 MYEGWFKIGIUEKP-SOFGYWHQSA-N 379.397 4.427 5 1 GIBF CCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147829 YKPDPAFTSRYHPA-UHFFFAOYSA-N 397.479 4.326 5 1 GIBF O=c1c2ccc(Cl)cc2sc2c(N3CCNCC3)nc3ccccc3c12 473166245 FNEFMBLKZVMMCU-UHFFFAOYSA-N 381.888 4.026 5 1 GIBF O=[N+]([O-])c1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587017232 JQEZBMXTSKFRQU-UHFFFAOYSA-N 388.412 4.308 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3ccc(F)c(C)c3[nH]2)c(C)c1[N+](=O)[O-] 587267776 QPPNDWRZHVMURE-UHFFFAOYSA-N 379.395 4.447 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c([N+](=O)[O-])c1 587558446 SHTKOHXMFGBIEK-PXNSSMCTSA-N 381.315 4.142 5 1 GIBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2)cc1 13584371 VKPWNJKIHUERPQ-UHFFFAOYSA-N 377.429 4.075 5 1 GIBF in-vivo O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cccnc1 253918679 YXYAAPPDKDVBLS-VYSBBFIWSA-N 398.415 4.204 5 1 GIBF O=C(O)c1cccnc1SCc1nc2c3cccnc3c3ncccc3c2[nH]1 586969397 XDTVFAXSZDOOAC-UHFFFAOYSA-N 387.424 4.045 5 1 GIBF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1OC 587264139 CCBULGLQXWYKDB-UHFFFAOYSA-N 393.355 4.193 5 1 GIBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cn1cnc([N+](=O)[O-])n1 587627838 KIVSOYRHALVAAB-UHFFFAOYSA-N 393.247 4.062 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3cccc([N+](=O)[O-])c3C2)N1 587751412 MFXKJDLPFJAWAE-MLCYQJTMSA-N 391.240 4.025 5 1 GIBF CCCCn1nc2c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)cc-2c1=O 26578789 KLLAQXGPFSUWMF-UHFFFAOYSA-N 376.416 4.059 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587261464 BUMRTXFMQQRRRP-UHFFFAOYSA-N 399.410 4.497 5 1 GIBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263990 PXHQWBPLSZEENA-XOKHGSTOSA-N 395.484 4.375 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc([N+](=O)[O-])cc2)N1 587749585 DSKUEJGITCQYRP-ZUZCIYMTSA-N 379.229 4.314 5 1 GIBF COc1c(SC)c(CCNC(C)=O)c2[nH]c3ccccc3c3ccnc1c23 5137970 ZXFLZRXTBNTTBT-UHFFFAOYSA-N 379.485 4.278 5 1 GIBF biogenic CCS(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587050558 SDAPHEHFHBVJDV-YWEYNIOJSA-N 391.836 4.089 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2[N+](=O)[O-])N1 587725034 BESVARKTCBIQAA-VPTHRUTESA-N 383.192 4.259 5 1 GIBF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587197530 QDVXVOHQYSHJOE-SNVBAGLBSA-N 389.253 4.451 5 1 GIBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)CSc1ccccc1[N+](=O)[O-] 963614027 WBNOAJFHPRIQGQ-RBZFPXEDSA-N 388.489 4.154 5 1 GIBF CN1CCN(c2ccc3c4c(cccc24)-c2nc4cc([N+](=O)[O-])ccc4nc2-3)CC1 29059035 ZPIFOAWJSKJPIQ-UHFFFAOYSA-N 397.438 4.090 5 1 GIBF COCCOc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587266435 XPTUWFIZLMZLBB-UHFFFAOYSA-N 381.310 4.182 5 1 GIBF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587573473 CDWLMSFCJGMWGR-GHTZIAJQSA-N 377.352 4.312 5 1 GIBF COc1cc2cc3c4c(c(OC)c(OC)c(OC)c4c2cc1OC)CCN3C 14639554 XZAYEEVUSBQRBO-UHFFFAOYSA-N 383.444 4.028 5 1 GIBF biogenic COc1ccc2c3c(c4cc5c(cc4c2c1OC)OCO5)C[C@H]1CCCN1C3 138503730 DQOBBQHFSSGFDW-CYBMUJFWSA-N 377.440 4.259 5 1 GIBF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c([N+](=O)[O-])cc(F)cc31)CC2=O 587473277 ZHYBAENHTLACRQ-FQEVSTJZSA-N 387.363 4.035 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1[N+](=O)[O-] 587569323 HPKIZYVNWDBCTL-YLJYHZDGSA-N 381.315 4.142 5 1 GIBF Cc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587556348 JLRHKBDWAPIVLZ-RXVVDRJESA-N 395.342 4.451 5 1 GIBF COc1cc2c(cc1O)c1c(c3cc(OC)c(OC)cc32)C[C@@H]2CCCN2C1 14824789 ODPLWLKKGHQYFQ-ZDUSSCGKSA-N 379.456 4.245 5 1 GIBF biogenic Cc1cc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2cc1[N+](=O)[O-] 587020803 YKRSMNIZGVVKEW-UHFFFAOYSA-N 389.437 4.174 5 1 GIBF O=C(Nc1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1O 169323601 CCRWCMRCFNFJKO-UHFFFAOYSA-N 377.400 4.306 5 1 GIBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@@H]2CC[C@H]1N2C 29477609 VAOSRYXOQDMAAS-RCVZYCBYSA-N 380.444 4.001 5 1 GIBF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587432404 JXRFTKBIEFTQNC-ULYRPOKDSA-N 379.412 4.132 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575673 KDWKAYHOATXADF-SIKLNZKXSA-N 391.379 4.486 5 1 GIBF CCNCc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12 101470647 PAGGKIWZPDTNCG-UHFFFAOYSA-N 383.561 4.278 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c([N+](=O)[O-])cccc32)N1 587752356 RLWHYNHKCFWBSO-XTZNXHDOSA-N 391.240 4.220 5 1 GIBF O=C(NCCCCNc1ccnc2cc(Cl)ccc12)c1ccc([N+](=O)[O-])cc1 35190602 AEAWPGRGJAYSFZ-UHFFFAOYSA-N 398.850 4.419 5 1 GIBF CN(C)CCN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O 73240346 AWRKSLINWTZVNA-UHFFFAOYSA-N 396.450 4.113 5 1 GIBF O=[N+]([O-])c1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998983 RCFBJRGWCRTAMS-PLNGDYQASA-N 388.177 4.133 5 1 GIBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587572890 ABZBLBMFUACWMB-RXVVDRJESA-N 393.351 4.012 5 1 GIBF O=C(O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587643679 IHCICOIWKQWQQB-UHFFFAOYSA-N 375.178 4.133 5 1 GIBF COC(=O)CCc1nc2c(C(C)=O)c(O)c3ccc4c(C)cccc4c3c2o1 35859208 AJHRQKHHZQAWAW-UHFFFAOYSA-N 377.396 4.456 5 1 GIBF biogenic Cc1ccc(-c2nnc(SCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)n2C)cc1 586965021 DCGYJYVLIHFIDT-UHFFFAOYSA-N 394.460 4.176 5 1 GIBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1Cl 587050988 WJRVRIDWLNZJTJ-UTCJRWHESA-N 398.850 4.127 5 1 GIBF COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509650 IHRROVNDBZIHMF-GOSISDBHSA-N 383.400 4.197 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(F)c2)N1 587724161 FAYIYSGQUAGFIP-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746393 JTAOPMXJCYKZHR-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587748008 RLLHVXIIBUUDDS-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165668 AKOJOEICRMOQMB-UHFFFAOYSA-N 395.350 4.499 5 1 GIBF COC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cccc(C(F)(F)F)c1 587646555 UTURVEMFYGMFJA-UHFFFAOYSA-N 378.306 4.477 5 1 GIBF CN(C)CCOc1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587264611 IVEIRPDZLMEQFH-UHFFFAOYSA-N 392.415 4.339 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587432280 JBAKNYAJSGXWPW-OYHNWAKOSA-N 390.395 4.191 5 1 GIBF CCCCCCOc1c(OC)cc(OC(=O)CCCC[N+](C)(C)C)cc1OC 26252317 NCDOROWZYDGORA-UHFFFAOYSA-N 396.548 4.445 5 1 GIBF Cn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 43208480 VLQGBUMFAWREQH-UHFFFAOYSA-N 375.268 4.004 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1F 587570326 VIIPHOQYAKPEIY-FXAWDEMLSA-N 381.315 4.142 5 1 GIBF O=[N+]([O-])c1cc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 103194068 CXXXYFNJRJMSPN-UHFFFAOYSA-N 381.624 4.356 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C)O2 587389148 JGNTVRTVJVOEKH-HXUWFJFHSA-N 377.400 4.291 5 1 GIBF O=[N+]([O-])c1cccc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 1857629717 PBNSMPLWHPYOGL-UHFFFAOYSA-N 387.355 4.279 5 1 GIBF Cc1c2cc(NCCN(C)C)ccc2nc2c1c1ccccc1n2CCN(C)C 84672010 DTSAMARCWLEZJY-UHFFFAOYSA-N 389.547 4.186 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1F 587012377 IXIUFVOCRUDVJI-UHFFFAOYSA-N 383.202 4.374 5 1 GIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cc1 587272182 PBFQWUZEYVFXBS-UHFFFAOYSA-N 377.316 4.234 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(CC)cc2[nH]1 587266268 ZSXHXXDDVOBCPM-GFCCVEGCSA-N 383.404 4.385 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[N+](=O)[O-])(c2ccccc2)N1 587743360 DLSPOGROCLWFKB-XIKOKIGWSA-N 393.256 4.033 5 1 GIBF Cc1ccn2c(CN(C)C)c(-c3ccc([N+](=O)[O-])cc3Br)nc2c1 103211647 DNRITUKZKCLYSB-UHFFFAOYSA-N 389.253 4.042 5 1 GIBF CCOc1cc(/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1OC(F)F 587131207 WXBHRSRLUNTTTA-XQRVVYSFSA-N 376.319 4.037 5 1 GIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 587159772 XRLHQGRYUASMNP-UHFFFAOYSA-N 389.346 4.286 5 1 GIBF CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccc([N+](=O)[O-])cc4)c3O)c2)=N1 587938410 VNTHLDWTQVFSGP-UHFFFAOYSA-N 393.399 4.019 5 1 GIBF Nc1c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)sc2cc(Br)ccc12 587030627 GSFWNQKTCQDQLS-UHFFFAOYSA-N 390.222 4.093 5 1 GIBF O=[N+]([O-])c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116982 OGYBLNJWVRPUKS-UHFFFAOYSA-N 399.760 4.460 5 1 GIBF Cc1c(Br)cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1C 587267702 PDAJLNPOTBPLTD-UHFFFAOYSA-N 392.257 4.219 5 1 GIBF C[C@]1(c2cc([N+](=O)[O-])ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557891 PSSZSRYFVQMXKV-GHTZIAJQSA-N 395.342 4.317 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C)c(C)c2[nH]1 587264402 RECZCKFBMIVWNE-CYBMUJFWSA-N 383.404 4.439 5 1 GIBF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587746745 KZKDBSPZGKGTHI-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF COc1cc(-c2nc3cc(Br)cc(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260752 CFEYECWSUXJURS-UHFFFAOYSA-N 392.209 4.226 5 1 GIBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576757 PNHOSIMRMLYMQH-UGKGYDQZSA-N 391.379 4.486 5 1 GIBF O=C(O)C1=CN(c2ccncc2)C(c2ccco2)=C[C@@H]1c1ccccc1[N+](=O)[O-] 5581870 UYWYEVMQWWMDHS-MRXNPFEDSA-N 389.367 4.196 5 1 GIBF O=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 29135830 BEZAIONDLWDJAL-UHFFFAOYSA-N 393.355 4.334 5 1 GIBF CC1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2[N+](=O)[O-])CC1 169339457 HRQIFXFABWGDFM-UHFFFAOYSA-N 389.839 4.442 5 1 GIBF COc1cc2cc([C@@H]3CC[N@@+](C)(Cc4ccccc4)C[C@@H]3O)sc2cc1OC 261099916 GCIVIYYHFXJQEK-IMWIBFENSA-N 398.548 4.414 5 1 GIBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587274044 MLBZKODUTCTDTK-CQSZACIVSA-N 377.404 4.050 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cc4)o1)[C@@H](C2)C3=O 587434798 ZUAYHVCPYHAEOQ-BTYIYWSLSA-N 377.352 4.352 5 1 GIBF O=[N+]([O-])c1cccc2[nH]c(-c3cc4ccccc4o3)c(CN3CCOCC3)c12 587648788 LJNHTEIMPKMWQP-UHFFFAOYSA-N 377.400 4.322 5 1 GIBF COc1cc(OCc2nc3ccc(Br)c(C)c3[nH]2)ccc1[N+](=O)[O-] 587263591 VTINMGHEXPNJMO-UHFFFAOYSA-N 392.209 4.130 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC[N+](=O)[O-])(c2ccccc2)N1 587743357 DLSPOGROCLWFKB-KPZWWZAWSA-N 393.256 4.033 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc([N+](=O)[O-])cc2)N1 587744394 FAARUPAMXJOKOV-BTDLBPIBSA-N 379.229 4.294 5 1 GIBF Cc1cnc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c([N+](=O)[O-])c1 962700773 KLKCEMVVCCTDBN-VBKZILBWSA-N 387.480 4.064 5 1 GIBF Cc1ccc(OCCOc2ccc(Cl)cc2Br)c([N+](=O)[O-])n1 26036771 KSIZQEOUGHRXAO-UHFFFAOYSA-N 387.617 4.172 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)c(/C=C1/[C@H](O)C3CCN1CC3)cn2Cc1ccccc1 102419103 GUJSSIAMLTWRSJ-HIFDDZRDSA-N 389.455 4.025 5 1 GIBF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747789 QCCDHGGJWKBINX-XYZCENFISA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1ccc(O)c2nc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)ccc12 963116890 BXAHZBRFZROEEF-QGZVFWFLSA-N 390.226 4.391 5 1 GIBF CCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCN(CCc2ccccc2)CC1 66113178 RHLLIMOKINBHSE-UHFFFAOYSA-N 381.476 4.045 5 1 GIBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[C@H]2CC[C@H]1N2C 253701611 LMRSIESFCISDEV-CWJKEVGVSA-N 380.444 4.001 5 1 GIBF Cn1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587112073 JVEZCVDWROBQNJ-UHFFFAOYSA-N 389.131 4.258 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587266163 WFLGBZPNBLARNO-YFKPBYRVSA-N 399.260 4.109 5 1 GIBF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587746049 ITOFQIOCHHBFIH-XYZCENFISA-N 395.228 4.129 5 1 GIBF Cc1c2c(c3oc4cc(=O)c(O)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@@H](C)[C@H]2C 2356782235 DEZZBYAETRDOKW-YKDSUIRESA-N 382.412 4.386 5 1 GIBF Oc1ccc(I)c2nc3cc(Cl)c(Cl)cc3nc12 653895033 SOSFFBWBBSZMDW-UHFFFAOYSA-N 390.995 4.400 5 1 GIBF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587743900 BYUMQQATYNGYBV-FVMDXXJSSA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Cl 587001961 CCYFDLBOXVLNQX-UHFFFAOYSA-N 392.600 4.430 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3c(F)cncc3Cl)[nH]c12 587176145 PAXYLWQIUXWNGA-UHFFFAOYSA-N 385.580 4.012 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCC(=O)CN1C3 95555393 DXOYXLFEGBADFJ-CQSZACIVSA-N 391.467 4.108 5 1 GIBF COc1cc(-c2nc3ccc(Br)c(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260996 OSSLMQHKZCULRX-UHFFFAOYSA-N 392.209 4.226 5 1 GIBF COc1ccc(C=O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1OC 587791817 HCZCTFPAMMPNPS-UHFFFAOYSA-N 384.395 4.156 5 1 GIBF CCOc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1 27108987 RFAZIRKKWUMEOB-UHFFFAOYSA-N 395.463 4.320 5 1 GIBF Cn1c([N+](=O)[O-])cnc1SCCCCCCCOc1ccccc1[N+](=O)[O-] 169347002 NCBGSBHHTSMTJX-UHFFFAOYSA-N 394.453 4.358 5 1 GIBF COc1cc2c(=O)oc3c4c(ccc3c2c2cccc(O)c12)C[C@@H](C)N[C@H]4C 31852151 JXIICUPAPXXMPH-NEPJUHHUSA-N 375.424 4.409 5 1 GIBF biogenic COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260898 LFWRHPZKDLYUHD-UHFFFAOYSA-N 383.282 4.054 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cccnc1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432239 IUAUSCOMGBTYGM-JTSKRJEESA-N 388.379 4.154 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)cc([N+](=O)[O-])c1OC)CC2=O 587472926 OOZYXOHOHDKDAH-OAQYLSRUSA-N 385.416 4.451 5 1 GIBF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587745154 GNCLVMSUBDHYQR-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 26297075 NUXMVQKNCWNWJT-CQSZACIVSA-N 393.399 4.255 5 1 GIBF O=C(CCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc2ccccc12 71282030 KPIVRCFLGTVBTF-OAHLLOKOSA-N 395.484 4.251 5 1 GIBF CSc1ccc(Cc2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1 45498866 YDVXNJVVWRETPJ-UHFFFAOYSA-N 383.458 4.074 5 1 GIBF C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571429 OEGMLODKQCXROV-RXVVDRJESA-N 395.342 4.317 5 1 GIBF C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573855 DHCHIKWKEFXFSU-GHTZIAJQSA-N 377.352 4.177 5 1 GIBF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(OC)c([N+](=O)[O-])c13)CC2=O 587471346 PYVKXOUVOKQXRN-GOSISDBHSA-N 396.399 4.449 5 1 GIBF O=C(CCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2c(c1)CCN2 13737847 ZZSQSKJDPPTMNT-UHFFFAOYSA-N 393.487 4.438 5 1 GIBF O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1c2ccccc2nc2ccccc12 95586945 BWBLTRMDJVXOPD-UHFFFAOYSA-N 386.432 4.398 5 1 GIBF Cn1cc(-c2ncc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)s2)cn1 587022506 ZWWMYWKZFKDTFC-UHFFFAOYSA-N 383.440 4.183 5 1 GIBF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472295 FUNYJJLLSSYTCI-GNNUASRNSA-N 396.443 4.189 5 1 GIBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](n1ccc([N+](=O)[O-])n1)CCC3 587104320 GIQCFOJGQIWCIO-SFHVURJKSA-N 396.406 4.477 5 1 GIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)ncc4[nH]3)c2)c1 587270964 YHXMJSZUHUATOM-UHFFFAOYSA-N 396.204 4.358 5 1 GIBF Cc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587556350 JLRHKBDWAPIVLZ-WIYYLYMNSA-N 395.342 4.451 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c([N+](=O)[O-])cccc32)N1 587752355 RLWHYNHKCFWBSO-MLCYQJTMSA-N 391.240 4.220 5 1 GIBF C[C@@H](c1ccccc1)n1c(N)c(-c2ccccn2)c2ccc([N+](=O)[O-])cc2c1=O 13222991 FSLZYYGUKOWGJO-AWEZNQCLSA-N 386.411 4.163 5 1 GIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(F)c(Br)c2[nH]1 587158741 HAXKCTWOCQHPCE-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c([N+](=O)[O-])ccc(Br)c1C)O2 587378599 WCJOQBUZCDMSOX-HNNXBMFYSA-N 391.221 4.263 5 1 GIBF COC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1OC 587048561 XILHJXLDMDFSHQ-XBXARRHUSA-N 387.779 4.090 5 1 GIBF COc1ccc(Br)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 587280004 XWLWVSZZAKXEKT-UHFFFAOYSA-N 376.162 4.343 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2[N+](=O)[O-])N1 587725035 BESVARKTCBIQAA-ZKANADHPSA-N 383.192 4.259 5 1 GIBF CSc1cccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c1 45287611 TVRKQUZODFJCBN-KRWDZBQOSA-N 397.456 4.158 5 1 GIBF C[C@@]1(c2cccc([N+](=O)[O-])c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566978 CRMJULKTYAHBFK-UTKZUKDTSA-N 395.342 4.317 5 1 GIBF O=[N+]([O-])c1cccc(CNC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 45323222 MTCSJKGRDWTCKB-UHFFFAOYSA-N 393.409 4.368 5 1 GIBF O=[N+]([O-])c1cccc(-c2cnnc(N3CC[C@@H](c4cccc(Cl)c4)C3)n2)c1 103226913 UZCJPUVQAPKXTG-OAHLLOKOSA-N 381.823 4.094 5 1 GIBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587572887 ABZBLBMFUACWMB-GHTZIAJQSA-N 393.351 4.012 5 1 GIBF O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(F)cc1 28957241 MTKFOCFUFJCTLV-UHFFFAOYSA-N 392.346 4.240 5 1 GIBF O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1cccc([N+](=O)[O-])c1 103196416 NHDBIBVZBZKNSM-SFHVURJKSA-N 383.454 4.210 5 1 GIBF CCC[N@+]12CCc3cc4c(cc3[C@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 253666655 NBKMONXMUXILOB-NTKDMRAZSA-N 382.480 4.013 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c([N+](=O)[O-])c2)N1 587718004 MCHZATHITDAALP-VPTHRUTESA-N 383.192 4.259 5 1 GIBF CCCc1c2c(O)c(OC)ccc2c2ccc3cc4c(cc3c2[n+]1C)OCO4 101258124 FJRPFHYXOUBAPE-UHFFFAOYSA-O 376.432 4.366 5 1 GIBF C[C@@H](C(=O)OCCCCN(C)C)c1ccc2c(=O)c3ccccc3ccc2c1 169347074 FUVPPLOPJRSFOJ-QGZVFWFLSA-N 377.484 4.342 5 1 GIBF O=[N+]([O-])c1cncc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587123812 TVWBKNAVRDENLW-UHFFFAOYSA-N 384.339 4.198 5 1 GIBF C[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569247 PSTGCGJKESXSQO-WIYYLYMNSA-N 395.342 4.317 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587749448 YCCMCRPZYLYMQG-BMLIUANNSA-N 379.229 4.428 5 1 GIBF O=C1[C@@H]2CCCN2[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccc([N+](=O)[O-])cc1 1772651016 SDQRJCBPOUKHJL-IRXDYDNUSA-N 391.349 4.123 5 1 GIBF COc1cc(-c2nc3cc(C)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261205 YLPKQZDFFATUOV-UHFFFAOYSA-N 392.209 4.226 5 1 GIBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 587268841 BMUKUQKXLSJCHY-UHFFFAOYSA-N 384.823 4.144 5 1 GIBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587273012 CNMSHTAWTOXXGH-SSDOTTSWSA-N 389.721 4.023 5 1 GIBF COc1cc(CCc2cccc3c(=O)c4ccccc4[nH]c23)cc(OC)c1OC 95598182 LUYCYTPLQSNKKW-UHFFFAOYSA-N 389.451 4.492 5 1 GIBF O=c1ccc2cc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)ccc2o1 586916641 PNUQFVOMHROBSO-UHFFFAOYSA-N 386.161 4.007 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1-c1cccc([N+](=O)[O-])c1)O2 587388883 HFEZIIDRANMLCP-IBGZPJMESA-N 375.384 4.254 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)O2 587389600 LUNUYGQKHIEJMZ-QFIPXVFZSA-N 395.459 4.356 5 1 GIBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575679 KFIOQGKYZSCXNU-SIKLNZKXSA-N 391.379 4.486 5 1 GIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)c1 587269568 GCWPKCWKYBKZFM-UHFFFAOYSA-N 388.383 4.361 5 1 GIBF CNc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587747420 NRJUBIOKROKMAP-XYZCENFISA-N 394.244 4.162 5 1 GIBF CCCCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])s3)O2)cc1 73142189 QDKWNRAXFCTRLA-SFHVURJKSA-N 389.433 4.074 5 1 GIBF O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1ccc([N+](=O)[O-])cc1 103196420 QOYHXHHEYXKAIA-GOSISDBHSA-N 383.454 4.210 5 1 GIBF CNc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12 199790990 XHWDGWQFLRURSB-UHFFFAOYSA-N 397.797 4.454 5 1 GIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(O)cc3)oc12 299855898 BVZTXZGUHKPRHH-UHFFFAOYSA-N 378.380 4.345 5 1 GIBF COc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 587267218 GWJISCMUFBTDHV-UHFFFAOYSA-N 377.404 4.008 5 1 GIBF O=C1C[C@@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)Oc2c1ccc1c2CCCC1 587514296 WIXSZKJWFLUJIV-WIYYLYMNSA-N 381.432 4.189 5 1 GIBF COc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622851 IGHDNKSZDWHJJT-UHFFFAOYSA-N 387.193 4.391 5 1 GIBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(F)c1[N+](=O)[O-] 587655572 NNVDTNGSCHJTPP-UHFFFAOYSA-N 397.312 4.378 5 1 GIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc([N+](=O)[O-])cc1 587862711 GFLHNIYJWADZFJ-UHFFFAOYSA-N 391.305 4.174 5 1 GIBF C[N+]1(C)[C@H]2C[C@H](O[C@H]3c4ccccc4CSc4ccccc43)C[C@@H]1[C@H]1O[C@@H]21 103231412 VMIKXEZBKRRAJD-QYYFSFBLSA-N 380.533 4.155 5 1 GIBF in-man CCN(Cc1c2ccccc2c(Cl)c2ccccc12)C(=O)[C@@H](N)CCCCN 103256871 XCYYZAMTWMFLKM-NRFANRHFSA-N 397.950 4.451 5 1 GIBF COC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2n1 587271881 KMJOISRMUVKEBJ-UHFFFAOYSA-N 390.355 4.112 5 1 GIBF C[C@]1(c2cc3c(ccc4ccccc43)oc2=O)NCCc2nc3ccccn3c21 962985692 QUVNQPLJHKLBNS-XMMPIXPASA-N 381.435 4.003 5 1 GIBF Cc1ccc(S(=O)(=O)Oc2ccc(NCc3cccc([N+](=O)[O-])c3)cc2)cc1 103220356 GFPOAUKLSBIWIH-UHFFFAOYSA-N 398.440 4.283 5 1 GIBF COc1cc(CSc2ccc3c(C)cc(=O)oc3c2)c([N+](=O)[O-])cc1OC 73198127 ZLACYZYHCJGMAO-UHFFFAOYSA-N 387.413 4.319 5 1 GIBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262957 ILCIJESVFQAVEK-KBRIMQKVSA-N 379.416 4.016 5 1 GIBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1OC 587511098 NBVNDGDOXVQGFJ-GOSISDBHSA-N 383.400 4.197 5 1 GIBF Cc1cc(Br)ccc1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586980655 CJOUUMWNBCKLGY-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF CC(C)N(C(C)C)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2 103299673 XOLCWBBYIKXQIU-UHFFFAOYSA-N 391.449 4.252 5 1 GIBF CC[C@H](N)COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 1857596877 HSUOPAKTPQZFRH-NSHDSACASA-N 398.246 4.270 5 1 GIBF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@+](C)([O-])[C@@H]1N2C 261139445 MVHRCJQCKYPDRL-XTJBDQBJSA-N 381.476 4.242 5 1 GIBF in-vivo CCS(=O)(=O)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586922296 LDRRWDPFMOHXSN-UHFFFAOYSA-N 388.452 4.120 5 1 GIBF CNc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746824 LJTNDDWXPGEXFK-VVVCHXIZSA-N 394.244 4.162 5 1 GIBF Cc1cccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1O 299840466 XBRQJBUUABNLQR-QGZVFWFLSA-N 395.418 4.165 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc([N+](=O)[O-])cc12 587578246 VOJTXPKCTLWEBE-DENIHFKCSA-N 389.363 4.104 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2F)N1 587728834 TYEZCQCGHPTWPB-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF O=C1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S1 96282302 OLKJQEQPKMQSNE-NVNXTCNLSA-N 390.804 4.151 5 1 GIBF Cc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1C(F)(F)F 587095562 KWSPQBFMOIQLAS-UHFFFAOYSA-N 380.282 4.297 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2F)N1 587727269 NEGQWFDFRGUDBC-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF CCOC(=O)CC[C@@]1(C)C=C(c2cccc([N+](=O)[O-])c2)c2ccc(O)cc2O1 169330246 PGTCINVGEATNJT-NRFANRHFSA-N 383.400 4.227 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746341 JPADZNLRFRTZKS-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF CCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC 13741636 VUBMIAXKUVWWBB-UHFFFAOYSA-N 396.548 4.306 5 1 GIBF COc1cccc(CN(C)CCOc2ccc3c(c2)oc(=O)c2ccccc23)c1 221990809 GSAZAEPRQPHTHJ-UHFFFAOYSA-N 389.451 4.466 5 1 GIBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Cl)cc1Cl 587645129 WWNULLCQNAAXPO-UHFFFAOYSA-N 393.182 4.401 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c([N+](=O)[O-])c2)N1 587719167 PEYNTNANHZWZOQ-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084972 VUOFAPSGSXWYEF-UHFFFAOYSA-N 393.628 4.362 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccccc3[N+](=O)[O-])o1)O2 587391765 YNZWTZRRAPNVNN-FQEVSTJZSA-N 394.383 4.364 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1nc4ccc(F)cc4c4ncccc14)[C@@H](C2)C3=O 587429377 UUCGCLAWKNPANO-HJPURHCSSA-N 386.382 4.419 5 1 GIBF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1ccc(F)c([N+](=O)[O-])c1 962372627 IZIXKYCTCHPRTB-FQEVSTJZSA-N 385.464 4.456 5 1 GIBF O=C(CCCn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(F)cc1 34855252 WTWMMKNRKPEOKJ-UHFFFAOYSA-N 388.442 4.390 5 1 GIBF CN(C)CCCCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21 40952320 DGKCTUXNTZKFMQ-UHFFFAOYSA-N 382.464 4.255 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1F 587570354 WFXYWRFCOUNRCV-UZLBHIALSA-N 381.315 4.142 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc([N+](=O)[O-])c2)N1 587747423 NTIHIHYVKYZAHD-DYZYQPBXSA-N 379.229 4.294 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3cccc([N+](=O)[O-])c3C2)N1 587749272 DHVBQUUZIKNVIS-MGNBDDOMSA-N 391.240 4.025 5 1 GIBF CCS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1 72107469 CCTSKVJIFBVZPK-UHFFFAOYSA-N 390.464 4.177 5 1 GIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1F 587139617 MDCLZGPKEKRHFC-UHFFFAOYSA-N 396.087 4.344 5 1 GIBF Cc1cc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2cc1[N+](=O)[O-] 587172645 KIDUTULAAMIKSZ-UHFFFAOYSA-N 396.353 4.375 5 1 GIBF N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccccc1Cl 587056543 IPNVRMRYHYXQGF-NSHDSACASA-N 395.644 4.130 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587749449 YCCMCRPZYLYMQG-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C 14948518 MVHRCJQCKYPDRL-IIUCQXFBSA-N 381.476 4.242 5 1 GIBF C=Cc1c2c(OC)c(OC)ccc2c2ccc3c4c(cc5c3c2[n+]1CC5)OCO4 1857613931 RUXTYWIQBSDJLD-UHFFFAOYSA-N 386.427 4.379 5 1 GIBF O=C(O)c1cccnc1SCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586969326 WBRWVFMCTFWYHN-UHFFFAOYSA-N 387.424 4.045 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587036721 KNDKDJHCYQXBFT-LLVKDONJSA-N 394.250 4.152 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccc([N+](=O)[O-])c3)n1)O2 587390537 RBCIFWJUDZNXCJ-HXUWFJFHSA-N 375.384 4.254 5 1 GIBF C[N+](C)([O-])CCN1C(=O)c2cccc3c2c(cc2c4ccccc4sc32)C1=O 28818005 ZTFCWRHTFXMCAE-UHFFFAOYSA-N 390.464 4.378 5 1 GIBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc([N+](=O)[O-])c1 587135483 CWCPZPYAVGBVSZ-UHFFFAOYSA-N 390.374 4.352 5 1 GIBF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc([N+](=O)[O-])c(Cl)cc4[nH]1)(C3)C2 587950494 RKQNYDHCEWMTCA-ORMMXULVSA-N 389.839 4.278 5 1 GIBF C[C@@]1(COCc2ccc(-c3ccc(F)cc3)cc2)CCn2cc([N+](=O)[O-])nc2O1 1772617292 HFPJHTBJJCTSNF-NRFANRHFSA-N 397.406 4.355 5 1 GIBF O=[N+]([O-])c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 38465058 YPUNVQQHZAUQPF-UHFFFAOYSA-N 379.366 4.167 5 1 GIBF O=[N+]([O-])c1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586922765 ZMHSEOPLRBKWDD-UHFFFAOYSA-N 393.424 4.112 5 1 GIBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cc(Br)ccc1O 587644053 LVHVQPMKCQBQSR-UHFFFAOYSA-N 375.178 4.084 5 1 GIBF Cc1c2ccccc2nc2c1c1cc(OCCN(C)C)ccc1n2CCN(C)C 84741299 BMXLSSJVYHSNCS-UHFFFAOYSA-N 390.531 4.153 5 1 GIBF NCCCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95583248 FQAQPTVYOLIJBD-UHFFFAOYSA-N 398.246 4.272 5 1 GIBF O=[N+]([O-])c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Cl 587120101 RABZWHLGFUPWTJ-UHFFFAOYSA-N 399.760 4.267 5 1 GIBF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c([N+](=O)[O-])cccn12 13801044 PYBLZEURYDVFMV-UHFFFAOYSA-N 380.448 4.101 5 1 GIBF COc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1nc(O)c1ccccc12 1857634910 MYXBFAKWYQVTKP-UHFFFAOYSA-N 391.267 4.414 5 1 GIBF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc([N+](=O)[O-])cc1 103175626 VGOZHEKIVYKBQV-SFHVURJKSA-N 395.440 4.455 5 1 GIBF C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(SCc3ccccn3)c([N+](=O)[O-])c2)C1 20663983 PFPXHLGOWJHXDW-GASCZTMLSA-N 385.489 4.400 5 1 GIBF O=C1C[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)Oc2c1ccc1c2CCCC1 587512321 MWNKAMKOESRIMK-FQEVSTJZSA-N 391.379 4.287 5 1 GIBF Cc1cc(Cl)cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 587269188 HULJQDKRQVDDGL-UHFFFAOYSA-N 398.850 4.453 5 1 GIBF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)CSc1ccccc1[N+](=O)[O-] 963614028 WBNOAJFHPRIQGQ-RNODOKPDSA-N 388.489 4.154 5 1 GIBF Cc1cc2c(cc1F)[C@](C)(c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)NCC2 962093870 RRHSKQNZQYEONV-KRWDZBQOSA-N 384.329 4.350 5 1 GIBF CCOC(=O)CC[C@]1(C)C=C(c2cccc([N+](=O)[O-])c2)c2ccc(O)cc2O1 169330248 PGTCINVGEATNJT-OAQYLSRUSA-N 383.400 4.227 5 1 GIBF NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 299872055 ZUTAXLGGVHEVKO-UHFFFAOYSA-N 382.401 4.066 5 1 GIBF Cc1cc(N(C)Cc2nc3cccc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587136897 KSDZKUHQKPWFCF-UHFFFAOYSA-N 393.216 4.318 5 1 GIBF C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573857 DHCHIKWKEFXFSU-NQIIRXRSSA-N 377.352 4.177 5 1 GIBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)sc1Cl 13584325 HDOYVOUNESIPKK-UHFFFAOYSA-N 386.760 4.129 5 1 GIBF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587042569 MKYITLOUGJSNHG-SFHVURJKSA-N 391.500 4.279 5 1 GIBF COCCOc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587265838 ROISXULMEYRPEG-UHFFFAOYSA-N 399.300 4.321 5 1 GIBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4cccnc4)c3oc2c1OC 96933383 NQUOLQZDMDMCHR-UHFFFAOYSA-N 393.395 4.043 5 1 GIBF CC(=O)N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(C)cc1 587216400 AVKXZYCECIPPQM-IBGZPJMESA-N 395.466 4.388 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[N@+]1([O-])CCC[C@H]1[C@@H]3O 253667014 SHQULSXBVKOENG-WDJPJFJCSA-N 395.455 4.043 5 1 GIBF COc1cc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(OC)cc1Cl 587644410 BOHBJPRYJXEXAU-UHFFFAOYSA-N 389.795 4.307 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c([N+](=O)[O-])c2)N1 587718008 MCHZATHITDAALP-ZKANADHPSA-N 383.192 4.259 5 1 GIBF CCc1cc(O)nc(SCc2nc3c4cccnc4c4ncccc4c3[nH]2)n1 586966990 QWKYNZJPOHCJLC-UHFFFAOYSA-N 388.456 4.010 5 1 GIBF O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccccc1 587216933 AABHFROAMKLWMV-IBGZPJMESA-N 390.374 4.130 5 1 GIBF O=c1c2ccccc2c(O)nc2c(-c3nnc(COc4ccccc4)o3)cccc12 1857760599 JWKSMFBIQBWNKQ-UHFFFAOYSA-N 397.390 4.083 5 1 GIBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccccc1[N+](=O)[O-] 100018915 OSCYLUQUDCIHGJ-BDBAMQCISA-N 388.420 4.042 5 3 GIBF investigational O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2F)cc1 13584387 MTFLGZCIHKYJSR-UHFFFAOYSA-N 395.419 4.214 5 1 GIBF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587069311 HYCQWJVUMVYLRF-SECBINFHSA-N 388.767 4.409 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc([N+](=O)[O-])c2)N1 587727668 BZXKLISFVNSGNA-ZKANADHPSA-N 383.192 4.259 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc([N+](=O)[O-])cc2)N1 587751460 MTRHGWFFVODXMI-BTDLBPIBSA-N 379.229 4.314 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 587267210 GRQVWBHLUGBBGM-ZETCQYMHSA-N 384.621 4.001 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576946 QFRFAPOXZNWJSR-RXVVDRJESA-N 393.351 4.012 5 1 GIBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)c(Cl)c1 587644592 GMUHXQATAFIDSS-UHFFFAOYSA-N 393.182 4.401 5 1 GIBF NC(=O)N1CCc2sccc2[C@@]1(c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 962719282 WCZMJEJPUHSCPF-HXUWFJFHSA-N 397.431 4.024 5 1 GIBF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587749833 ZQEBDOUFXCMCOA-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 26667430 VTAZUSNMBQSMCH-UHFFFAOYSA-N 390.321 4.360 5 1 GIBF O=C1NC(=O)c2c1c1c3cc(OCc4ccccc4)ccc3[nH]c1c1cccn21 28870922 PCDJENNDQZOSEC-UHFFFAOYSA-N 381.391 4.036 5 1 GIBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccccc2F)c1O 587937646 UIEZZLAPUMZTMO-UHFFFAOYSA-N 393.168 4.365 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1F 587082108 KMRKQHBVESWJGQ-UHFFFAOYSA-N 387.758 4.164 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc([N+](=O)[O-])c2)N1 587728389 DQXLVQWTVAXHAL-ZKANADHPSA-N 383.192 4.259 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1[N+](=O)[O-] 587175115 QHOSNIYAVYFPHP-UHFFFAOYSA-N 375.703 4.320 5 1 GIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(F)cc(F)c2)cc1NN1CCCCC1 15936806 LBVIUIWRGGSJNV-UHFFFAOYSA-N 394.334 4.386 5 3 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Br)c(F)c3[nH]2)c1 587262400 RJAAXORHTZCGOE-UHFFFAOYSA-N 394.200 4.303 5 1 GIBF O=[N+]([O-])c1ccc(-c2csc(Nc3nnc(S)n3-c3ccccc3)n2)cc1 49115820 ZLXHFCJHCHNISA-UHFFFAOYSA-N 396.457 4.331 5 1 GIBF C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577696 UFPXFEALOVNOTF-WIYYLYMNSA-N 377.352 4.177 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 587871594 KSKIYWRLHGFSEA-CYBMUJFWSA-N 399.378 4.104 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)c(O)nn2Cc1ccccc1OCc1ccccc1 84604506 RHXZSDMNWBWTDW-UHFFFAOYSA-N 375.384 4.277 5 1 GIBF O=[N+]([O-])c1ccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F 587148180 DUXNCKIXCHZIMW-UHFFFAOYSA-N 389.346 4.286 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc([N+](=O)[O-])c2)N1 587728383 DQXLVQWTVAXHAL-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]2CC[C@H]1N2C 29474460 KLDDEIDULFIHBU-DOIPELPJSA-N 380.444 4.001 5 1 GIBF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(F)c1[N+](=O)[O-] 587658835 SPTNVSOYTFJSBA-UHFFFAOYSA-N 379.322 4.239 5 1 GIBF Cc1ccnc([C@]2(c3ccc([N+](=O)[O-])cc3)NCCc3c2sc(C)c3C)c1 963014150 UIQRPZRYHFEGCP-NRFANRHFSA-N 379.485 4.414 5 1 GIBF O=[N+]([O-])c1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)c(Cl)c1 49067469 PTVHPTRKXMBZTR-UHFFFAOYSA-N 387.808 4.467 5 1 GIBF CC1(C)OC[C@@H](O)[C@H](NCc2ccc3ccc4cccc5ccc2c3c45)CO1 26403785 MQORMEDIRCAWRZ-NHCUHLMSSA-N 375.468 4.186 5 1 GIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587268163 MMBFMIAXJRDKLL-UHFFFAOYSA-N 391.431 4.418 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587432278 JBAKNYAJSGXWPW-NYHFZMIOSA-N 390.395 4.191 5 1 GIBF O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccccc12 71280938 LNOWKAKOWCRFFS-UHFFFAOYSA-N 395.484 4.205 5 1 GIBF CCCN1Cc2c(c3ccc(OC)cc3c3cc(OC)c(OC)cc23)[C@H](O)C1 95572237 CJOHEOFVUALWSY-HXUWFJFHSA-N 381.472 4.278 5 1 GIBF CCOC(=O)CNc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587224809 KGWBNSXZRVIYFW-UHFFFAOYSA-N 397.438 4.301 5 1 GIBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(C)(C)C 587202355 ACCMINMKSWYRMT-CQSZACIVSA-N 380.420 4.092 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(COC/C=C/c3ccccc3)[nH]c12 587781511 VTGIBRCMHQLWCG-QPJJXVBHSA-N 388.221 4.464 5 1 GIBF O=c1oc2ccc(OCCCCCCOc3ccccc3)cc2c(O)c1[N+](=O)[O-] 141328780 OWXKFQXYSKFTRQ-UHFFFAOYSA-N 399.399 4.425 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc([N+](=O)[O-])cc2)N1 587745517 HLCJQRMBUICPQD-BTDLBPIBSA-N 379.229 4.294 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587745499 HJEBVZMEBVIBOH-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF Cc1cc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1[N+](=O)[O-] 587022877 CDDSGPUGWFJDGD-UHFFFAOYSA-N 375.410 4.250 5 1 GIBF CCCc1c(OCCCOc2ccccc2)ccc2c(O)c([N+](=O)[O-])c(=O)oc12 169337565 RCSSIUHMBSBYQB-UHFFFAOYSA-N 399.399 4.207 5 1 GIBF O=[N+]([O-])c1ccc([C@@H](c2ccn(-c3ccc([N+](=O)[O-])cc3)c2)n2ccnc2)cc1 1857553039 MQCLDMJATYRINL-FQEVSTJZSA-N 389.371 4.128 5 1 GIBF Cc1c(CNc2c3ccccc3cc3ccccc23)cnc2nc(N)nc(N)c12 27561668 JTNVPKPCMWNPBJ-UHFFFAOYSA-N 380.455 4.416 5 1 GIBF CCCCn1c(=O)c2ccc([N+](=O)[O-])cc2c2cnc3cc4c(cc3c21)OCO4 40939891 DBSQBHFOVFOLNU-UHFFFAOYSA-N 391.383 4.140 5 1 GIBF O=c1oc2cc(OCCCCCCOc3ccccc3)ccc2c(O)c1[N+](=O)[O-] 141977025 HAMZZXREANZCMS-UHFFFAOYSA-N 399.399 4.425 5 1 GIBF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2cc([N+](=O)[O-])ccc12 587646573 VNWGXCHVPJPQIR-UHFFFAOYSA-N 394.305 4.346 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587749076 WXSGKLVCJMGLHB-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[C@@H]2CC[C@H]1N2C 29480254 LMRSIESFCISDEV-KCLUMXDGSA-N 380.444 4.001 5 1 GIBF CCN(C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135978 PWXYJFWRNZJREJ-UHFFFAOYSA-N 397.479 4.136 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587037680 WSSYSCPGGWHKAO-LBPRGKRZSA-N 394.250 4.152 5 1 GIBF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576106 MKXGQZDDEFRQNW-RXVVDRJESA-N 377.352 4.312 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc([N+](=O)[O-])cc2)N1 587744634 FAARUPAMXJOKOV-DYZYQPBXSA-N 379.229 4.294 5 1 GIBF Nn1c2ccc(F)cc2c2c3c(c4c5cc(F)ccc5sc4c21)C(=O)NC3=O 29390721 XLEOSPSEUPYIFD-UHFFFAOYSA-N 393.374 4.038 5 1 GIBF COc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C(F)(F)F)c1 587096691 ANXSULYEPZPKTJ-UHFFFAOYSA-N 382.254 4.074 5 1 GIBF CC(=O)Nc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587512185 VLHJXTXIKFDTPA-FQEVSTJZSA-N 380.400 4.139 5 1 GIBF CNc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746802 LJTNDDWXPGEXFK-HUTHGQBESA-N 394.244 4.162 5 1 GIBF CC[C@]1(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC(=O)c2ccccc2C1 587960992 OYPARVWSHZAJAA-HXUWFJFHSA-N 394.387 4.147 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587748737 VZYGUYFHLVMXAB-XYZCENFISA-N 395.228 4.129 5 1 GIBF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 12476756 HTSRRLMMOPPXTQ-GOSISDBHSA-N 384.779 4.338 5 3 GIBF COC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1OC 587048563 XILHJXLDMDFSHQ-YWEYNIOJSA-N 387.779 4.090 5 1 GIBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587576790 PTJAZPVUMGMXQJ-RXVVDRJESA-N 393.351 4.012 5 1 GIBF Cc1ccnc2c1CCN[C@]2(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 963068295 KINHALGXGUSAQZ-JOCHJYFZSA-N 375.428 4.500 5 1 GIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587268971 FRWIANRAPOEJSO-UHFFFAOYSA-N 383.257 4.021 5 1 GIBF O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1cc(F)cc(Cl)c1 1559246194 FLMMFWZNKQOYIK-UHFFFAOYSA-N 399.705 4.473 5 1 GIBF COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174142 JCKNZMJLDJQTQE-UHFFFAOYSA-N 399.476 4.241 5 1 GIBF O=[N+]([O-])c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183748 IJBVXBGASCZYKA-FPLPWBNLSA-N 391.168 4.246 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577660 UCDXSRIJIHIHJQ-GHTZIAJQSA-N 393.351 4.012 5 1 GIBF COc1cccc(CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587932472 XZBSUUBJFXTXRN-UHFFFAOYSA-N 376.210 4.027 5 1 GIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1F 587139424 JWGBTBWQGPFZIU-UHFFFAOYSA-N 386.564 4.399 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115165 GNVWFIUSDKDULT-UHFFFAOYSA-N 387.115 4.314 5 1 GIBF Cc1cnc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 586987687 QMEYIQZMQABYPL-UHFFFAOYSA-N 383.363 4.430 5 1 GIBF Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@@H](C)[C@]2(C)O 2356718687 CRSYXEQNEAGMIY-HQTRMQRDSA-N 396.439 4.093 5 1 GIBF O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOc1ccc(-c3ccc(F)cc3)cc1)CC2 473087864 LYFCQHYBZVFIBK-GOSISDBHSA-N 383.379 4.218 5 1 GIBF O=[N+]([O-])c1cccc(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587270640 PBYPPYNVTGBYGL-UHFFFAOYSA-N 382.164 4.297 5 1 GIBF Cc1c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 586905520 SDMINSVECGZIRI-LLVKDONJSA-N 392.209 4.172 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)[C@@]1(C=CO2)c2ccsc2CCN1Cc1ccco1 962714145 QWMZMPOPRAJYEQ-HXUWFJFHSA-N 380.425 4.457 5 1 GIBF COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc([N+](=O)[O-])c1O 40936656 AYUUUJGKWUWJBU-IDNTVEGQSA-N 375.421 4.080 5 1 GIBF Cc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br 587152376 ZXUIHOCAJJJISO-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C)c(Br)cc3[nH]2)c1 587261661 FSSLHOXIAUMAHU-UHFFFAOYSA-N 390.237 4.472 5 1 GIBF CC(C)=CCc1c(O)cc2oc3c(O)ccc(CCC(C)(C)O)c3c(=O)c2c1O 14781083 ZPJQIAIELUCBCV-UHFFFAOYSA-N 398.455 4.275 5 1 GIBF biogenic,in-vitro CC[C@@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135601 AQZHQLRYTCJINN-CQSZACIVSA-N 397.479 4.325 5 1 GIBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C(C)(C)C)c2[nH]1 587116696 BPZVSKHETVZTBR-UHFFFAOYSA-N 381.358 4.341 5 1 GIBF NC(=O)N1CCc2sccc2[C@]1(c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 962719277 WCZMJEJPUHSCPF-FQEVSTJZSA-N 397.431 4.024 5 1 GIBF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587745156 GNCLVMSUBDHYQR-XYZCENFISA-N 395.228 4.129 5 1 GIBF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)c([N+](=O)[O-])c31)CC2=O 587472060 XGMPPLOYWTVLRZ-NRFANRHFSA-N 383.400 4.068 5 1 GIBF COc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Cl)c1OCC(C)C 587046374 QBSJLJBVFOQQNO-UHFFFAOYSA-N 376.800 4.230 5 1 GIBF Cc1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144540 KSMKJKVLTRRFHV-UHFFFAOYSA-N 392.346 4.346 5 1 GIBF Cc1ccc2c(ccc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c32)n1 587265899 USXJIOWDHHOJFS-NSHDSACASA-N 392.375 4.409 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(OCc3ccccc3)c2[nH]1 587267768 QKMYECDQSWWQKH-AWEZNQCLSA-N 377.404 4.164 5 1 GIBF COc1cc2c3c(cc4ccccc4c3c1OC)N(CCN1CCCCC1)C2=O 40934770 RJFAACKIMXBBMS-UHFFFAOYSA-N 390.483 4.456 5 1 GIBF COc1c(O)ccc(/C=C/C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1[N+](=O)[O-] 169370999 ZERAGDHGZNCIMG-CIPTYYJJSA-N 375.421 4.080 5 1 GIBF CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2=O 587468819 DSIWUEIGBOVDIC-IBGZPJMESA-N 386.360 4.042 5 1 GIBF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2cccc([N+](=O)[O-])c12 587646560 UYYRHEAWXZLBGU-UHFFFAOYSA-N 394.305 4.346 5 1 GIBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)cc2c1Nc1ccccc1O2 103299684 ISMBWNLMEWAMPM-UHFFFAOYSA-N 383.385 4.245 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586898968 UNAFTWSXCDWKPU-UHFFFAOYSA-N 388.221 4.485 5 1 GIBF O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587270242 KSTTZYQDFNIWGN-UHFFFAOYSA-N 386.280 4.305 5 1 GIBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc(F)cc1)c1ccccc12 1613480 VOXGNJKFRALSOH-UHFFFAOYSA-N 387.458 4.486 5 1 GIBF CN(C)CCOc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048556 XIFQKZXHRMDYNQ-XBXARRHUSA-N 386.839 4.235 5 1 GIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)nn2)c1 587270127 QCTUKVWVVUFTRO-UHFFFAOYSA-N 375.175 4.026 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc([N+](=O)[O-])c1C)O2 587388841 GWVHUQSCTCEARR-HXUWFJFHSA-N 377.400 4.291 5 1 GIBF CCS(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587050553 SDAPHEHFHBVJDV-XBXARRHUSA-N 391.836 4.089 5 1 GIBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc([N+](=O)[O-])cc1 587622774 GUJVEFKKDJGLNL-UHFFFAOYSA-N 399.204 4.254 5 1 GIBF COc1ccc(C[C@H]2c3c(Br)cccc3CC[N+]2(C)C)cc1OC 13648604 WAGPOIKDRRLACT-KRWDZBQOSA-N 391.329 4.383 5 1 GIBF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1)n1ccnc1 95562461 YRVOVVWXWHDPBJ-LJQANCHMSA-N 394.431 4.324 5 1 GIBF Cc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980041 NQQGESGGBDYVPO-UHFFFAOYSA-N 377.154 4.117 5 1 GIBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cs1 587019415 LUNTWHNANDBBRH-UHFFFAOYSA-N 394.416 4.162 5 1 GIBF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746478 KCFRDTFGZXGMQF-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF COc1ccc2c(c1OC)[C@@](Cc1ccccc1[N+](=O)[O-])(C1CC1)N(C)[C@@H](C)C2 962618278 CBEQSEFVHCLNTD-NPMXOYFQSA-N 396.487 4.336 5 1 GIBF CN(C)CCCOC(=O)CCCn1c2ccccc2c2nc3ccccc3nc21 1772646122 MSUMZPSOTCJIBZ-UHFFFAOYSA-N 390.487 4.013 5 1 GIBF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577266 RMMMAFBUXPHRGY-DENIHFKCSA-N 391.379 4.486 5 1 GIBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(F)cc2)c2ccc(F)cc2F)cn1 66078756 JKCSIESBXVQIBA-QGZVFWFLSA-N 377.322 4.167 5 1 GIBF Cc1cccc2[nH]c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc12 64559358 FYOZRKGVYJWUIX-UHFFFAOYSA-N 376.825 4.164 5 1 GIBF Cc1cc(Br)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159220 NEEPEBJKEAHZOF-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)s1 587023897 WNCHMFYZMGDEST-UHFFFAOYSA-N 379.373 4.081 5 1 GIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1F 587139895 RQYQWCUBZZDGOC-UHFFFAOYSA-N 375.722 4.255 5 1 GIBF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576103 MKXGQZDDEFRQNW-GHTZIAJQSA-N 377.352 4.312 5 1 GIBF O=[N+]([O-])c1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)ccc1Cl 587047500 JCKQQSKGZJXLRK-RQOWECAXSA-N 379.601 4.452 5 1 GIBF COc1ccc2c(c1OC)[C@@](Cc1ccccc1[N+](=O)[O-])(C1CC1)N(C)[C@H](C)C2 962618275 CBEQSEFVHCLNTD-IQMFZBJNSA-N 396.487 4.336 5 1 GIBF COc1ccc(CNc2nnc(Cl)c3ccc([N+](=O)[O-])cc23)cc1Cl 13780941 SHCVFTMYELJHHC-UHFFFAOYSA-N 379.203 4.466 5 1 GIBF CCCN(CCC)c1cc(C)nc2c(-c3ncc(C)cc3[N+](=O)[O-])c(C)nn12 28365886 UWELGZCFOYQOQP-UHFFFAOYSA-N 382.468 4.251 5 1 GIBF CCC(=O)[C@H]1[C@@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@@H]2CC[C@H]1N2C 13862683 JYGCGYZVYIDMNS-VZRKHXGSSA-N 382.460 4.302 5 1 GIBF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(O)c([N+](=O)[O-])c1)CC2=O 587473094 PUVCJLRTKMQALW-KRWDZBQOSA-N 387.388 4.064 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2[N+](=O)[O-])N1 587734708 UYMMGENWISNMDH-VPTHRUTESA-N 383.192 4.259 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)cc(C)c2[nH]1 587264405 RFCBZYMCYUUJQF-ZDUSSCGKSA-N 383.404 4.439 5 1 GIBF Nc1ccccc1-c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587250199 YADQRSGBVKATFV-UHFFFAOYSA-N 375.344 4.296 5 1 GIBF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587112229 DTRJIQNFMIKRIK-NSHDSACASA-N 384.745 4.386 5 1 GIBF COC(=O)c1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12 27522749 NXMOPXXVYSJGIO-UHFFFAOYSA-N 394.496 4.108 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)c(/C=C1/[C@@H](O)C3CCN1CC3)cn2Cc1ccccc1 102419107 GUJSSIAMLTWRSJ-TYBHGIAWSA-N 389.455 4.025 5 1 GIBF CCc1cc(O)nc(SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 586966313 FBDGHZBQWROLQJ-UHFFFAOYSA-N 388.456 4.010 5 1 GIBF CCOc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2cc1OC 1629550 MEKHWCCMHFCEDJ-UHFFFAOYSA-N 378.448 4.395 5 1 GIBF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174250 OMGGDKQPOSYGKN-UHFFFAOYSA-N 381.436 4.416 5 1 GIBF O=S(=O)(/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1 586924739 UVDPLLFBYHDBHH-RAXLEYEMSA-N 386.436 4.104 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587269032 HXGVDOGLJQEJMB-UHFFFAOYSA-N 378.219 4.440 5 1 GIBF O=[N+]([O-])c1ccc(Cl)c(/C=C/c2nc3ncc(Br)cc3[nH]2)c1 72142441 ZAYRZJDTOPOLJY-DAFODLJHSA-N 379.601 4.452 5 1 GIBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575675 KFIOQGKYZSCXNU-DENIHFKCSA-N 391.379 4.486 5 1 GIBF O=C(O)c1cccc(N=c2[nH]c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)c1 1857632234 ZKSJEHRCJFEYKO-UHFFFAOYSA-N 386.367 4.069 5 1 GIBF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CC[N@+](C)([O-])[C@@H]1N2C 261527181 MVHRCJQCKYPDRL-HOKHCIIBSA-N 381.476 4.242 5 1 GIBF in-vivo O=C(O)c1ccccc1/C=C/c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586881451 GCUSUVWRHJZPOS-AATRIKPKSA-N 388.177 4.102 5 1 GIBF O=[N+]([O-])c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183329 CLCJYIHNASPQLU-UHFFFAOYSA-N 399.575 4.396 5 1 GIBF O=[N+]([O-])c1ccc(N2CC[C@@H](NCC[C@@H](O)c3csc4ccccc34)C2)cc1 71281264 PPJGGUVOBLNDIY-FOIQADDNSA-N 397.500 4.102 5 1 GIBF Cc1c2ccccc2nc2c1c1cc(NCCN(C)C)ccc1n2CCN(C)C 84742314 RTTIKBHDHKOSNI-UHFFFAOYSA-N 389.547 4.186 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1F 587006757 RNXPYVNQZWSIIU-UHFFFAOYSA-N 375.157 4.292 5 1 GIBF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587258293 FPTMPHYCTXSKPX-INIZCTEOSA-N 389.415 4.043 5 1 GIBF Cc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587556337 JLRHKBDWAPIVLZ-GHTZIAJQSA-N 395.342 4.451 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)C[C@]1(C2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962691684 AQSQXRMBDGIOIF-DYESRHJHSA-N 384.476 4.092 5 1 GIBF O=[N+]([O-])c1ccc(C2=[N+]3N[C-](c4ccccc4)C[C@H]3c3ccccc3O2)s1 169688473 WYJYDEAXMFMLMT-INIZCTEOSA-N 377.425 4.038 5 1 GIBF COc1c(F)ccc(F)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587132615 FSTDOTHHNKGZHX-UHFFFAOYSA-N 384.136 4.187 5 1 GIBF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587576482 OUUQGEMFSZTXFX-LAUBAEHRSA-N 377.352 4.312 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)c([N+](=O)[O-])c1)O2 587378986 YLAQNXDIEZXTMC-QGZVFWFLSA-N 391.221 4.129 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2[N+](=O)[O-])N1 587727915 CLARWBFNKNSJLT-ZKANADHPSA-N 383.192 4.259 5 1 GIBF O=C1CSc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2N1 587042203 AYZOYDYKHXIZCX-UHFFFAOYSA-N 383.436 4.371 5 1 GIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587267867 HIXXENZJFLAANW-UHFFFAOYSA-N 385.371 4.451 5 1 GIBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2c(C(=O)O)cccc12 587637867 FZYBTVOKQGEWHP-UHFFFAOYSA-N 388.763 4.271 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2[N+](=O)[O-])N1 587735548 XQHHYXBIKQRUGF-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c(Cn3ccnc3)cc(Cl)cc12 103217929 RYJICCRSIRVNDE-UHFFFAOYSA-N 381.775 4.266 5 1 GIBF Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@H](C)[C@@]2(C)O 2356718688 CRSYXEQNEAGMIY-PDBCXOLOSA-N 396.439 4.093 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2[N+](=O)[O-])N1 587731382 ZGJBQAJQQBTGIT-ZKANADHPSA-N 383.192 4.259 5 1 GIBF O=c1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587173470 WSANRBPPWROWHS-UHFFFAOYSA-N 382.326 4.066 5 1 GIBF O=C(Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O 169339441 BRYBZRNLWFDPDU-UHFFFAOYSA-N 375.812 4.196 5 1 GIBF COc1cc2c3c(c4cc5c(cc4c2cc1OC)OCO5)CN1CCC[C@H]1C3 73280759 WJPURFXSMUYAJV-ZDUSSCGKSA-N 377.440 4.259 5 1 GIBF CC(C)N(C[C@H](O)Cn1c2ccccc2c(=O)c2cccc(Cl)c21)C(C)C 49816742 NLHHMFUBLITWCS-INIZCTEOSA-N 386.923 4.288 5 1 GIBF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)OCC)c1C 587649067 OYFIIMQMLFBEIL-UHFFFAOYSA-N 399.403 4.041 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2cc1[N+](=O)[O-] 586899415 WFEXAWRSYPMUOU-UHFFFAOYSA-N 376.328 4.419 5 1 GIBF Cc1cc2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2cc1[N+](=O)[O-] 587029824 UKMMSTKXHLFIML-UHFFFAOYSA-N 390.428 4.301 5 1 GIBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587578278 VTENWHIHAWHWNC-NQIIRXRSSA-N 393.351 4.012 5 1 GIBF O=[N+]([O-])c1ccc(O)c2nc([C@H]3NCCc4c(Cl)cc(Cl)cc43)ccc12 963116883 BXAHZBRFZROEEF-KRWDZBQOSA-N 390.226 4.391 5 1 GIBF Nc1ccccc1NC(=O)c1c(N)cccc1Sc1ccc([N+](=O)[O-])cc1 1857617586 KRSKLULCXANZDJ-UHFFFAOYSA-N 380.429 4.163 5 1 GIBF COc1cc2c3c(c4cc5c(cc4c2cc1OC)OCO5)C[C@H]1CCCN1C3 15216026 XYIVQGONBIUUEZ-CYBMUJFWSA-N 377.440 4.259 5 1 GIBF COc1cc(OCc2nc3cc(C)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] 587263080 KSACZXNYTKYNIE-UHFFFAOYSA-N 392.209 4.130 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(C)=O)cc2[nH]1 587264019 QGMHROLXTWNILI-GFCCVEGCSA-N 397.387 4.025 5 1 GIBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587274814 UBJDHMIKRZZZMQ-UHFFFAOYSA-N 390.428 4.301 5 1 GIBF C[C@@]1(c2cccc([N+](=O)[O-])c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566979 CRMJULKTYAHBFK-UWJYYQICSA-N 395.342 4.317 5 1 GIBF O=C(O)c1ccccc1/C=C/c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586882402 RSLCZUZJGYGXNE-VMPITWQZSA-N 388.177 4.102 5 1 GIBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cc1OC 587645640 AOOYLDXLBLKTGC-UHFFFAOYSA-N 376.315 4.208 5 1 GIBF Cc1cc2c(cc1F)[C@@](C)(c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)NCC2 962093882 RRHSKQNZQYEONV-QGZVFWFLSA-N 384.329 4.350 5 1 GIBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2n1 586974935 YNZYWZNASGHLDK-UHFFFAOYSA-N 386.433 4.068 5 1 GIBF O=C1[C@@H]2CCCN2[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccc([N+](=O)[O-])cc1 1772575334 SDQRJCBPOUKHJL-DLBZAZTESA-N 391.349 4.123 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@@H](O)[C@@H]1CCCN1C3 31414767 VEPWWLXWVFFRLY-CVDCTZTESA-N 379.456 4.030 5 1 GIBF biogenic CN(c1ccccc1)c1nc2cc(C(=O)O)ccc2c2cnc(NC3CC3)nc12 66112985 GPJMVPLCJTYICR-UHFFFAOYSA-N 385.427 4.218 5 1 GIBF COc1cc2c3c(c4cc5c(cc4c2cc1OC)OCO5)CN1CCC[C@@H]1C3 73280762 WJPURFXSMUYAJV-CYBMUJFWSA-N 377.440 4.259 5 1 GIBF COc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260822 HHVQFYAXZBHREC-UHFFFAOYSA-N 396.172 4.057 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)c(C)cc2[nH]1 587265750 XPRBTQGGZGNTHG-CYBMUJFWSA-N 383.404 4.439 5 1 GIBF C[C@]1(c2ccncc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338506 CNTCRVCUFCHDNI-TZIWHRDSSA-N 394.358 4.109 5 1 GIBF CCOC(=O)c1c2c3ccc(S[C@@H]4CCO[C@H]4C)c4cccc(c-2nc1=O)c43 71294335 QWRVDLPBQXXSIP-XHDPSFHLSA-N 393.464 4.175 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O 587431795 GROJXQCDFZSQBR-AOMKIAJQSA-N 390.395 4.191 5 1 GIBF COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1OC 587269317 ALUJOQGMKTVHKG-UHFFFAOYSA-N 376.372 4.217 5 1 GIBF O=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 29135828 PCPJODAODFMDER-UHFFFAOYSA-N 393.355 4.334 5 1 GIBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262959 ILCIJESVFQAVEK-XOKHGSTOSA-N 379.416 4.016 5 1 GIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)o1 587264171 COMBQHRFVKNLFK-UHFFFAOYSA-N 395.287 4.215 5 1 GIBF O=[N+]([O-])c1cc(F)ccc1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962699470 IGOAQQOHLSTVAH-DJJJIMSYSA-N 376.428 4.326 5 1 GIBF COc1ccc(/C(F)=C(\F)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 40892171 DLUAMADIJPMGGQ-WUKNDPDISA-N 381.331 4.394 5 1 GIBF Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075808 MWULZRCMOIUJQB-UHFFFAOYSA-N 398.766 4.194 5 1 GIBF Cc1nn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1[N+](=O)[O-] 587105366 ZTGNAAJVNVUVCW-UHFFFAOYSA-N 384.395 4.216 5 1 GIBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1O)C[C@H]1CCCN1C3 95099545 ZWPFWEJMOPUEJE-CYBMUJFWSA-N 379.456 4.245 5 1 GIBF biogenic,in-vitro C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c([N+](=O)[O-])c2)N1 587713932 DMKGMUVKOZOTGL-XYZCENFISA-N 397.219 4.433 5 1 GIBF Nc1ncc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1[N+](=O)[O-] 587268448 YLPGACRPKCSTPQ-UHFFFAOYSA-N 388.412 4.392 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1[N+](=O)[O-])O2 587376164 HXEANNFPDGZNOT-QGZVFWFLSA-N 391.221 4.129 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc([N+](=O)[O-])cc2)N1 587745513 HLCJQRMBUICPQD-BMLIUANNSA-N 379.229 4.294 5 1 GIBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1 653849891 MIDQPWVSOIMYAY-UHFFFAOYSA-N 392.780 4.499 5 1 GIBF Cn1c(-c2ccc(OCCO)cc2)[n+](C)c2c3ccccc3c3ccccc3c21 95562435 VVSFIBWJCPXODB-UHFFFAOYSA-N 383.471 4.347 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587108413 MGYZNXWDEXLHPS-UHFFFAOYSA-N 387.115 4.314 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)c(F)cc2[nH]1 587264400 RCWCLVDTHXVQRC-LLVKDONJSA-N 387.367 4.270 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(F)c(F)cc2[nH]1 587264754 SMSVWUUEPDVTFE-VIFPVBQESA-N 391.330 4.101 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(F)cc1[N+](=O)[O-])O2 587381369 IFYLVWUCLGFGOM-HNNXBMFYSA-N 395.184 4.094 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587749078 WXSGKLVCJMGLHB-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1[N+](=O)[O-] 587029313 NXBPLHBDFWKAJV-UHFFFAOYSA-N 397.372 4.082 5 1 GIBF c1ccc2c(c1)ccc1c2c2nc3ccccc3nc2n1CCN1CCOCC1 66077914 AOAVVFHXPSGISD-UHFFFAOYSA-N 382.467 4.223 5 1 GIBF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1[N+](=O)[O-])N(C)[C@H](C)C2 962573544 SLPQVGHYTANTJF-WYRIXSBYSA-N 376.840 4.231 5 1 GIBF COc1ccc2c(c1)[C@@H](c1c[nH]c3ccc(OC)c([N+](=O)[O-])c13)N(C(C)C)CC2 962085715 ADCJDXSZNONGGU-NRFANRHFSA-N 395.459 4.449 5 1 GIBF COc1ccccc1C(O)(C[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1OC 103233982 SGGVUQRMUNHHRK-ACDBMABISA-N 396.551 4.347 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@H]2CC[C@@H]1N2C 169354702 KLDDEIDULFIHBU-CGXNFDGLSA-N 380.444 4.001 5 1 GIBF COc1cc2c(cc1O)c1c(c3ccc(OC)c(OC)c32)C[C@H]2CCCN2C1 238770559 HNFKUBRFQOVTGL-CYBMUJFWSA-N 379.456 4.245 5 1 GIBF Fc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(N2CCCC2)n1 587177197 CAHCPYQHUVVCOI-UHFFFAOYSA-N 384.418 4.461 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc([N+](=O)[O-])c4)o1)[C@@H](C2)C3=O 587434241 RYDOAUGSHNZQGY-BTYIYWSLSA-N 377.352 4.352 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1F 587556119 IUKSBIVYYDEBLB-XLIONFOSSA-N 381.315 4.142 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc([N+](=O)[O-])cc32)N1 587753288 UWMARIBLIFFXBS-MGNBDDOMSA-N 391.240 4.220 5 1 GIBF CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1Cc1ccccc1 1857557523 SMPYNQHBRAGRJJ-UHFFFAOYSA-N 399.432 4.312 5 1 GIBF COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccccc2nc2ccccc12 3979139 JRNUZHHDXNSOMO-UHFFFAOYSA-N 392.480 4.359 5 3 GIBF in-man COc1ccc2c(CN3CCC(CCO)CC3)cc3cc4c(cc3c2c1)OCO4 28706254 OIORRUBMJYQQKN-UHFFFAOYSA-N 393.483 4.325 5 1 GIBF O=c1c(-c2cccc([N+](=O)[O-])c2)cccn1[C@H](CN1CCCC1)c1ccccc1 13436633 OXDRZZFMJQDBIL-JOCHJYFZSA-N 389.455 4.109 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)cc(F)c2[nH]1 587263906 OYUWFXLOCPTYFW-NSHDSACASA-N 387.367 4.270 5 1 GIBF CC[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449673 QQULQWFIIYRRQT-VLIAUNLRSA-N 385.441 4.292 5 1 GIBF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(OC)c([N+](=O)[O-])cc31)CC2=O 587470496 KFUNBDGCGQRJOF-JOCHJYFZSA-N 397.427 4.459 5 1 GIBF CCOc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(OCC)c3-2)CC[N+]1(C)C 59587176 PKFJRTWEUFXGFF-KRWDZBQOSA-O 384.496 4.095 5 1 GIBF biogenic,in-vitro COc1ccc(Nc2nc3c([N+](=O)[O-])cc(Cl)cc3c(O)c2C(C)=O)cc1 84616630 UWUAXYHLJZBGOV-UHFFFAOYSA-N 387.779 4.457 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3ncccc3c2[nH]1 587264501 GZENMSSXWRLRMB-JTQLQIEISA-N 378.348 4.101 5 1 GIBF O=[N+]([O-])c1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1 653768392 YVMUWTALFJFANA-UHFFFAOYSA-N 385.286 4.105 5 1 GIBF Fc1cccc2c1nc(OCC1CCN(CC(F)F)CC1)c1cccnc12 103248561 PFDBGGQICOJWFO-UHFFFAOYSA-N 375.394 4.278 5 1 GIBF C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1 28902610 OHQUCPYHRDUTKM-UHFFFAOYSA-O 386.475 4.015 5 1 GIBF CCCC[N+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 40403146 CHAIWVMLWNJULV-VGOKPJQXSA-N 396.507 4.403 5 1 GIBF COc1ccc(CCn2c3ccccc3c(=O)c3c(O)cccc32)cc1OC 64559662 HOOQGHJKMNIWRO-UHFFFAOYSA-N 375.424 4.120 5 1 GIBF NC(=O)c1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccc(Cl)cc2)c[nH]1 587644789 NZINQRVKYFXFAI-UHFFFAOYSA-N 380.791 4.491 5 1 GIBF CCOc1cc(NCCCNc2ncc([N+](=O)[O-])cc2C)nc2ccccc12 45192772 RDHJRRBBORTEMS-UHFFFAOYSA-N 381.436 4.159 5 1 GIBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 100036799 DRKKFEDPIHQMQP-CQGUWYRNSA-N 388.420 4.042 5 1 GIBF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 473123213 LFMPPZAVVALQBN-SFHVURJKSA-N 393.472 4.179 5 1 GIBF O=[N+]([O-])c1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587018415 ZQHZXXJLKCMSFY-UHFFFAOYSA-N 388.412 4.308 5 1 GIBF Cc1cc(N(C)Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c([N+](=O)[O-])cc1F 587137206 TUYHLTRJPJHERK-UHFFFAOYSA-N 398.316 4.454 5 1 GIBF O=C(NCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1cc2c(s1)CCC2 587035623 WRMCQDUMBFHGLM-UHFFFAOYSA-N 399.479 4.140 5 1 GIBF N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccccc1Cl 587058593 XPKRVSYLQJZKPD-NSHDSACASA-N 395.644 4.130 5 1 GIBF COCCOc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587265203 MNSHVSYJMSVVGZ-UHFFFAOYSA-N 397.309 4.062 5 1 GIBF C[C@@H]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2[N+](=O)[O-])C1 169339451 MMCMGCRXLHKELO-GFCCVEGCSA-N 389.839 4.442 5 1 GIBF O=C(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1cccc(F)c1 587163536 RAUDGJPLKQNTLB-UHFFFAOYSA-N 385.402 4.370 5 1 GIBF CCC[N@+]12CCc3cc4c(cc3[C@@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 253666663 NBKMONXMUXILOB-YADARESESA-N 382.480 4.013 5 1 GIBF Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587280508 YQVVZCFEIVNPCQ-UHFFFAOYSA-N 387.701 4.401 5 1 GIBF CNc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576299 OABRBECQEFPQMS-GHTZIAJQSA-N 392.367 4.045 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c([N+](=O)[O-])cccc32)N1 587752353 RLWHYNHKCFWBSO-MGNBDDOMSA-N 391.240 4.220 5 1 GIBF CCCNc1cc2c(cc1[N+](=O)[O-])C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 103287589 DDFIORMMTVXHJK-HMXCVIKNSA-N 388.464 4.240 5 1 GIBF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587190909 PXEDRLGMYYOHIA-KRWDZBQOSA-N 382.420 4.427 5 1 GIBF O=C1NC(=O)/C(=C\c2ccc([N+](=O)[O-])c(OCCC3CCCCC3)c2)S1 115792015 RWQPIRXUHVNFIP-LFIBNONCSA-N 376.434 4.268 5 1 GIBF C[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275293 BKIURUSXLAWEFJ-LURJTMIESA-N 393.247 4.315 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(Br)o3)nc12 587007693 NVTHMARMUBHWMV-UHFFFAOYSA-N 386.987 4.256 5 1 GIBF COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(SC)ncc12 114264978 VVTBNGBSXDSXNC-UHFFFAOYSA-N 376.441 4.430 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cc(C)c3[nH]2)c1 587261662 FXQCCKSTAQPMGY-UHFFFAOYSA-N 390.237 4.472 5 1 GIBF COCCNc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587262496 VEOSDYVEBRSIJG-UHFFFAOYSA-N 398.316 4.354 5 1 GIBF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587511475 QDFQNRWFLQDZFY-GOSISDBHSA-N 383.400 4.284 5 1 GIBF C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572940 ANJJJGRGNFIZPZ-RXVVDRJESA-N 377.352 4.177 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc([N+](=O)[O-])c2F)N1 587725000 AZYBLPGSAYYIBX-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N(C)C 4295652 PHWDDUXYNJWWGG-SJORKVTESA-N 381.860 4.350 5 1 GIBF O=[N+]([O-])c1cc(F)ccc1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962699468 IGOAQQOHLSTVAH-BFUOFWGJSA-N 376.428 4.326 5 1 GIBF Cn1c2ccccc2c2cc(C(=O)NCCCN3CCCC3)c3ncccc3c21 96921196 GMCWWDDMPGUWKX-UHFFFAOYSA-N 386.499 4.095 5 1 GIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587267956 JZENMZXXHMCWEX-UHFFFAOYSA-N 391.431 4.418 5 1 GIBF O=C(NC1CCCCCCC1)c1cccn2c(=O)c3ccc(Cl)cc3nc12 2957331 KCJHPBLSUWEIKM-UHFFFAOYSA-N 383.879 4.344 5 1 GIBF CCOc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC 28522852 ZTNWXSSXQBMISI-UHFFFAOYSA-N 378.448 4.395 5 1 GIBF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587042568 MKYITLOUGJSNHG-GOSISDBHSA-N 391.500 4.279 5 1 GIBF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587749061 WVCALSUHEDFCDA-FVMDXXJSSA-N 395.228 4.129 5 1 GIBF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587201541 RGDWNSCKDSINBR-UHFFFAOYSA-N 380.420 4.191 5 1 GIBF O=[N+]([O-])c1ccc(N2CCN(CCCCOc3ccc4c(c3)CCC4)CC2)cc1 26496722 RNQCATPSYXGLQU-UHFFFAOYSA-N 395.503 4.065 5 1 GIBF CCOC(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270771 SZDJSJDZIPLNIH-UHFFFAOYSA-N 388.383 4.377 5 1 GIBF CCN(CC)CCCNCCn1c2ccccc2c2nc3ccccc3nc21 1772615424 ATSIAKBUWFJALC-UHFFFAOYSA-N 375.520 4.059 5 1 GIBF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645635 AKRMEXPUOVDNIR-UHFFFAOYSA-N 384.335 4.165 5 1 GIBF C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571428 OEGMLODKQCXROV-NQIIRXRSSA-N 395.342 4.317 5 1 GIBF CSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)CC(C)(C)CC1=N2 104038770 NJACUELHZVHQJR-OAHLLOKOSA-N 385.449 4.216 5 1 GIBF C[N+]1(CCCCOc2cc(O)c3c(=O)c4ccccc4oc3c2)CCCCC1 299823111 DIBPQRPMDIHNFC-UHFFFAOYSA-O 382.480 4.441 5 1 GIBF Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587745692 IFDRIJWBJVZZBV-HWPZZCPQSA-N 379.229 4.428 5 1 GIBF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587574954 HHNDELLDQIVPHO-NQIIRXRSSA-N 377.352 4.312 5 1 GIBF CCOc1ccc2c(c1)[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O 13534987 UFEHMXMPOAFRFN-UHFFFAOYSA-N 383.407 4.248 5 1 GIBF C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507806 TULUMTHVLHABGC-OAQYLSRUSA-N 385.391 4.285 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1[N+](=O)[O-] 587557604 NPJOFDDKKQBAHP-YLJYHZDGSA-N 381.315 4.142 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2[N+](=O)[O-])N1 587731290 YXIRCQDFWCFCIC-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF CNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 66099271 MQIMOJDILSKQTP-UHFFFAOYSA-N 379.807 4.315 5 1 GIBF O=[N+]([O-])c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183747 IJBVXBGASCZYKA-BQYQJAHWSA-N 391.168 4.246 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587269827 RGNIWXLPVQICTL-UHFFFAOYSA-N 392.394 4.063 5 1 GIBF O=[N+]([O-])c1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998984 RCFBJRGWCRTAMS-SNAWJCMRSA-N 388.177 4.133 5 1 GIBF Cc1ccc2nc3ccccc3c([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2c1 963492376 QIJFOMLLDAIYLM-RDPSFJRHSA-N 398.462 4.399 5 1 GIBF O=[N+]([O-])c1cn2c(n1)SC[C@H](OCc1ccc(OCc3ccccc3)cc1)C2 40934139 JSJDPPOQULNBLA-GOSISDBHSA-N 397.456 4.061 5 1 GIBF O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCc2cc(Cl)ccc21 1640605 UZUBWOXRZMDGLN-UHFFFAOYSA-N 387.244 4.043 5 1 GIBF CN(C)/C=C\[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511819 JGNCJVBYHZSLOF-OILJVOJPSA-N 392.455 4.410 5 1 GIBF c1ccc(CN2CCN(c3nc4ccc5ncccc5c4n4cccc34)CC2)cc1 13762490 VQMVUGKLGFORBP-UHFFFAOYSA-N 393.494 4.358 5 1 GIBF COc1cc2ccc3c(CC[N+](C)(C)[O-])cc(OC)c(OC)c3c2cc1OC 473245315 XZWKWUMYDZYWQL-UHFFFAOYSA-N 385.460 4.144 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(CNc3ccccc3Cl)[nH]c12 587060304 KSAAYIBJKFWASE-UHFFFAOYSA-N 381.617 4.499 5 1 GIBF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cccc([N+](=O)[O-])c1F 962399453 PYDZJMDBRBRVDT-HXUWFJFHSA-N 385.464 4.456 5 1 GIBF COC(=O)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc(C(C)(C)C)cc2)c1=O 1772635354 JYIHQGJKICUZTL-UHFFFAOYSA-N 394.427 4.042 5 1 GIBF COC(=O)[C@@H](Oc1c2ccccc2nc2ccccc12)c1ccc2c(c1)OCO2 26753056 XVWPMUDIMPSZCK-NRFANRHFSA-N 387.391 4.410 5 1 GIBF CCN(CC)c1nc(C)c([N+](=O)[O-])c(NC(=S)Nc2ccc(Cl)cc2)n1 103168762 NQPGOEHGEFUCDB-UHFFFAOYSA-N 394.888 4.002 5 1 GIBF C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1cccc(Cl)c1)C2 169331624 ISPZZSUTWQPSOG-PRXCMETKSA-O 378.905 4.251 5 1 GIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3cccc(F)c3)oc12 299865205 SSIDQDVBCZTSQS-UHFFFAOYSA-N 396.370 4.484 5 1 GIBF Cc1cc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2cc1[N+](=O)[O-] 587019148 IUKUGYMPXWISOJ-UHFFFAOYSA-N 399.457 4.141 5 1 GIBF COc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)c([N+](=O)[O-])c1 587389591 LTCMRRNWTVFXJC-FQEVSTJZSA-N 394.383 4.461 5 1 GIBF CC(=O)c1c(-c2cc(Br)ccc2O)[nH]c2cc([N+](=O)[O-])ccc12 587644205 PVLSIHLNONDFGL-UHFFFAOYSA-N 375.178 4.414 5 1 GIBF COc1cc2c(cc1O)c1c(c3cc(OC)c(OC)cc32)C[C@H]2CCCN2C1 14824787 ODPLWLKKGHQYFQ-CYBMUJFWSA-N 379.456 4.245 5 1 GIBF biogenic O=[N+]([O-])c1c(Br)ccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587108435 MOYXEXSSWQVTED-UHFFFAOYSA-N 387.115 4.314 5 1 GIBF O=C(O)c1ccc(-c2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)ccc2F)cc1F 587138642 OWYFXYNPIMRUQZ-UHFFFAOYSA-N 396.309 4.177 5 1 GIBF O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 29128062 ZCTZROLDASTMAW-UHFFFAOYSA-N 390.421 4.130 5 1 GIBF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c1 587236780 ZNGRWIXMVZGQQM-UHFFFAOYSA-N 386.411 4.089 5 1 GIBF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2n1 36351735 QWBGUUIKLHWMCZ-IZZDOVSWSA-N 376.416 4.330 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2[N+](=O)[O-])N1 587726013 HISWUZCKIDISSI-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF O=[N+]([O-])c1cc(S(=O)(=O)NC2CCCCC2)cc2c1Nc1ccccc1O2 103299696 CFRNSQCEUFVLRW-UHFFFAOYSA-N 389.433 4.055 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587746704 KHFIILJDVKUWLS-BMLIUANNSA-N 379.229 4.428 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 587871595 KSKIYWRLHGFSEA-ZDUSSCGKSA-N 399.378 4.104 5 1 GIBF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 12476751 HTSRRLMMOPPXTQ-SFHVURJKSA-N 384.779 4.338 5 3 GIBF COc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587745194 GTRAUBRCDVYWDW-XYZCENFISA-N 395.228 4.129 5 1 GIBF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587574959 HJIXEQRTCSCUTB-UTKZUKDTSA-N 393.351 4.012 5 1 GIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 586972324 HKUOSVATYZKDQM-UHFFFAOYSA-N 383.433 4.468 5 1 GIBF COc1ccc(N/C=C(/[C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)[N+](=O)[O-])cc1 963118193 YYWQYCVTHYQMJF-QUCXYMQISA-N 383.423 4.126 5 1 GIBF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587748126 SMCLRKDLICVUEW-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF C[C@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 13860172 NHMWBCWXDURPQX-KRWDZBQOSA-N 393.487 4.175 5 1 GIBF CCN(CC)CCCNc1ccc(CNC)c2sc3ccccc3c(=O)c12 100891915 KDDYZUZYNYTINL-UHFFFAOYSA-N 383.561 4.278 5 1 GIBF CCOC(=O)CCN=c1cc2oc3cc(N(C)C)ccc3nc-2c2ccccc12 377803476 XDDQZDUNNKFALG-UHFFFAOYSA-N 389.455 4.006 5 1 GIBF CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1ccc(Cl)c(Cl)c1 653703957 RCEVUDNEPLSFBC-INIZCTEOSA-N 380.187 4.141 5 1 GIBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccccc3Cl)o2)cc([N+](=O)[O-])c1 653849920 WTZTZGSPBQWVDC-UHFFFAOYSA-N 392.780 4.499 5 1 GIBF O=[N+]([O-])c1ccc(-n2s/c(=N/Cc3cccnc3)nc2-c2ccccc2)cc1 101506414 PBUOYZKUYSHIJZ-LSDHQDQOSA-N 389.440 4.005 5 1 GIBF COc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 587660563 GXUINDOKJNXYJG-UHFFFAOYSA-N 391.358 4.109 5 1 GIBF O=c1c(-c2cccc([N+](=O)[O-])c2)cccn1[C@@H](CN1CCCC1)c1ccccc1 13436630 OXDRZZFMJQDBIL-QFIPXVFZSA-N 389.455 4.109 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c([N+](=O)[O-])c1 587558448 SHTKOHXMFGBIEK-YLJYHZDGSA-N 381.315 4.142 5 1 GIBF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587746747 KZKDBSPZGKGTHI-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF O=c1ccc2c3c(cc[n+]2Cc2ccc(C(F)(F)F)cc2)c2ccccc2n13 653808766 TWPFWFNXVCPIHH-UHFFFAOYSA-N 379.361 4.398 5 1 GIBF C[C@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(F)cc2)cc1 72123607 RYHCDBLVVKUWFC-UGSOOPFHSA-N 383.379 4.136 5 1 GIBF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587747866 QLGBCGYMPLNRPA-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF COc1cc2c(cc1O)c1c(c3ccc(OC)c(OC)c32)C[C@@H]2CCCN2C1 2356569005 HNFKUBRFQOVTGL-ZDUSSCGKSA-N 379.456 4.245 5 1 GIBF CCOc1ccc(C(=O)CN2C=CC(=C([O])c3ccccc3)C=C2)cc1[N+](=O)[O-] 2356844122 LKUKAVTYXGSEPV-UHFFFAOYSA-N 391.403 4.361 5 1 GIBF CCOC(=O)Cc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587047526 JZMLIAUQSBVQDD-YVMONPNESA-N 385.807 4.401 5 1 GIBF CC[C@@]1(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC(=O)c2ccccc2C1 587960987 OYPARVWSHZAJAA-FQEVSTJZSA-N 394.387 4.147 5 1 GIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(F)cc3)cc1)C2 72122831 XUMDVVYBNRHEMD-SNDJDQCESA-N 395.390 4.088 5 1 GIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3)oc12 299859446 HXJOOLUGRMJHGB-UHFFFAOYSA-N 378.380 4.345 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc([N+](=O)[O-])c2)N1 587727658 BZXKLISFVNSGNA-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF Cc1ccc(Nc2ncnc3cc(OC(C)C)c4c(c23)OCCO4)cc1[N+](=O)[O-] 653859676 NGGPOIUATFTCNX-UHFFFAOYSA-N 396.403 4.148 5 1 GIBF C[C@]1(c2ncccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337129 OPFJCFPYBSCJST-NQIIRXRSSA-N 394.358 4.109 5 1 GIBF O=C1C[C@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)Oc2c1ccc1c2CCCC1 587514294 WIXSZKJWFLUJIV-RXVVDRJESA-N 381.432 4.189 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H](C2)C3=O 587421164 OAMNCHREVPKPQJ-APPDUMDISA-N 379.290 4.111 5 1 GIBF O=C1NC(=O)c2c1c1c([nH]c3cccc(F)c31)c1c2c2cccc3c2n1CCC3 14945574 DNYKRPXDTSYBFU-UHFFFAOYSA-N 383.382 4.398 5 1 GIBF O=C1NC(=O)/C(=C/c2cc(OCCC3CCCCC3)ccc2[N+](=O)[O-])S1 115794138 QGQQWNBYKTZEPT-WJDWOHSUSA-N 376.434 4.268 5 1 GIBF C[C@@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173525 CUFTZYSRHGXATE-QHCPKHFHSA-N 398.397 4.427 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2[N+](=O)[O-])N1 587735549 XQHHYXBIKQRUGF-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF CC[n+]1cc2cc(OC)c(OC)cc2c2ccc3cc(OC)c(OC)cc3c21 28522808 VMGNDGKHOGDAER-UHFFFAOYSA-N 378.448 4.488 5 1 GIBF CCNC(=S)Nc1ccc2cc3ccc(NC(=S)NCC)cc3nc2c1 205016710 BUJMSJXXLXRICF-UHFFFAOYSA-N 383.546 4.001 5 1 GIBF O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1cc(F)cc(Cl)c1 1857747989 QONODMQQXMILPX-UHFFFAOYSA-N 398.721 4.424 5 1 GIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)c(F)c(F)c2[nH]1 587110350 ZYOSGDWVSXJRJN-UHFFFAOYSA-N 375.228 4.498 5 1 GIBF Cc1ccn2cc(-c3ccc(I)c([N+](=O)[O-])c3)cc2c1 68584710 VTHIBKKAGOJZRC-UHFFFAOYSA-N 378.169 4.428 5 1 GIBF biogenic O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)cc1 587271379 BHFPOVAFCMUAAF-UHFFFAOYSA-N 377.316 4.234 5 1 GIBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587578282 VTENWHIHAWHWNC-WIYYLYMNSA-N 393.351 4.012 5 1 GIBF Clc1ccc2nc3[nH]c4ccccc4c3c(NCCN3CCOCC3)c2c1 40900703 LRGFLSLOGOIWOB-UHFFFAOYSA-N 380.879 4.267 5 1 GIBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@@H]2CC[C@@H]1N2C 169311571 VAOSRYXOQDMAAS-AGKXRFJRSA-N 380.444 4.001 5 1 GIBF C[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128378 KWQLTYQBYVKLAO-SCSAIBSYSA-N 392.700 4.201 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc([N+](=O)[O-])c2)N1 587747421 NTIHIHYVKYZAHD-BMLIUANNSA-N 379.229 4.294 5 1 GIBF O=C(O)Cc1cc(-c2cccc([N+](=O)[O-])c2)c(O)c(-c2nc3ccccc3[nH]2)c1 14953799 CIPMQPTWGWCBLF-UHFFFAOYSA-N 389.367 4.138 5 1 GIBF COc1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1[N+](=O)[O-] 28978562 LGLKATODTQDQGB-QGZVFWFLSA-N 395.198 4.003 5 1 GIBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587034283 GUCCPMLLKMSLDL-ZDUSSCGKSA-N 395.444 4.352 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc3ccccc3c2[nH]1 587264474 FZTHKPBHWZWSJC-JTQLQIEISA-N 378.348 4.101 5 1 GIBF CCCc1c(O)ccc2c1O[C@H](c1coc3ccc([N+](=O)[O-])cc3c1=O)CC2=O 587472239 YYVYDDVAGQZZLT-IBGZPJMESA-N 395.367 4.066 5 1 GIBF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587748128 SMCLRKDLICVUEW-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF CC1(C)C[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2O1 38215107 YWZWRTAQMFMTSJ-OAHLLOKOSA-N 375.425 4.323 5 1 GIBF O=C(c1cccc(I)c1)c1coc2cc([N+](=O)[O-])ccc12 587280444 WYXUEWJTJCROCZ-UHFFFAOYSA-N 393.136 4.177 5 1 GIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587267579 AGAARDPSNTUQOW-UHFFFAOYSA-N 389.415 4.070 5 1 GIBF C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557354 MWPHUZRDVUDVNS-WIYYLYMNSA-N 395.342 4.317 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c([N+](=O)[O-])cccc32)N1 587749794 GFUXUDDVZZINLV-MGNBDDOMSA-N 391.240 4.220 5 1 GIBF O=c1nc(N2CCOCC2)oc2c1cc(/C=C/c1ccccc1)c1ccccc12 1772615140 KHUPWWOMCDOFSU-ZHACJKMWSA-N 384.435 4.348 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2[N+](=O)[O-])N1 587726014 HISWUZCKIDISSI-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF CC(C)(O)CCc1ccc(O)c2oc3cc4c(c(O)c3c(=O)c12)CCC(C)(C)O4 14613750 HLNUCGLHJITDDH-UHFFFAOYSA-N 398.455 4.165 5 1 GIBF biogenic,in-vitro CCN(CC)CCn1nc2c3c(OC)ccc(OC)c3sc3c(N)ccc1c32 29323182 GMSVNLZUZNGMQL-UHFFFAOYSA-N 398.532 4.345 5 1 GIBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 587116663 ALNALQZMPPRRRG-UHFFFAOYSA-N 393.247 4.062 5 1 GIBF COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644720 LIBLALPSWZVKJO-UHFFFAOYSA-N 393.182 4.406 5 1 GIBF COCCOc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587266403 VYAWTTKUFKAWBQ-UHFFFAOYSA-N 383.738 4.095 5 1 GIBF O=C(O)c1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1F 587270658 PXMGUASMPZQYPL-UHFFFAOYSA-N 378.319 4.037 5 1 GIBF C[C@@]1(c2ncccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337107 OPFJCFPYBSCJST-GHTZIAJQSA-N 394.358 4.109 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1F 587570328 VIIPHOQYAKPEIY-XLIONFOSSA-N 381.315 4.142 5 1 GIBF CN(C)CCN1C(=O)c2ccc(Cl)c3cc4c(Cl)cccc4c(c23)C1=O 29343732 YQGABQDOEFQYKK-UHFFFAOYSA-N 387.266 4.457 5 1 GIBF COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Oc2ccncc2)cc1 40898267 BDFVFXDSPFBGPE-UHFFFAOYSA-N 380.360 4.435 5 1 GIBF CCC(=O)[C@@H]1[C@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 253633639 JYGCGYZVYIDMNS-LNNXQNCSSA-N 382.460 4.302 5 1 GIBF O=[N+]([O-])c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586977581 YNLUAPAYWRIYCF-UHFFFAOYSA-N 382.601 4.466 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576101 MIDVKMBCUSSCFS-WIYYLYMNSA-N 393.351 4.012 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2F)N1 587727268 NEGQWFDFRGUDBC-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576099 MIDVKMBCUSSCFS-RXVVDRJESA-N 393.351 4.012 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Br)cc3[nH]2)c1 587262715 WPHHAERIWPQINT-UHFFFAOYSA-N 376.210 4.164 5 1 GIBF O=C(c1ccccc1)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 587159288 OSVPQQPIHXYNGZ-UHFFFAOYSA-N 391.358 4.420 5 1 GIBF CCCc1c(O)ccc2c1OC1(CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2=O 587472044 XDQWDSYLCHAXEL-UHFFFAOYSA-N 396.443 4.257 5 1 GIBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2c1 587067914 USXHBQAUIDNPRV-UHFFFAOYSA-N 380.791 4.346 5 1 GIBF O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1cnco1)c1cccc2ccccc12 29236853 POHIAJHKHVUSEF-FQEVSTJZSA-N 387.395 4.450 5 1 GIBF CCNCCCOc1ccc2cc3ccc(OCCCNCC)cc3nc2c1 29413462 HUGTXSXQJFLHAJ-UHFFFAOYSA-N 381.520 4.145 5 1 GIBF O=[N+]([O-])c1ccc(NC(=S)OCCOc2ccc(Br)cc2)cc1 45495378 NJBCPLNGARQDQO-UHFFFAOYSA-N 397.250 4.150 5 1 GIBF COc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OC)c1OC 40940327 UVBYXCPUJMRWNZ-UHFFFAOYSA-N 375.424 4.229 5 1 GIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cc1 587271381 BHWNQVWEGNJYDJ-UHFFFAOYSA-N 377.316 4.234 5 1 GIBF CCc1cc2c3ccc(OC)c(OC)c3c[n+]3c2c2c(cc4c(c12)OCO4)CC3 1857543563 MXGJVJXCLBQTSK-UHFFFAOYSA-N 388.443 4.298 5 1 GIBF Cc1cc2nc3ccc(C(=O)NCCCCc4ccccc4)cn3c(=O)c2cc1C 27525601 HTRXCBOMXJOELC-UHFFFAOYSA-N 399.494 4.217 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(F)c(F)c2[nH]1 587265785 XSAIKMTZHBDDIE-SECBINFHSA-N 391.330 4.101 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578287 VVSDVJBIFXWEGN-UGKGYDQZSA-N 391.379 4.486 5 1 GIBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587264165 BSJCVMDNWPUWOS-JTQLQIEISA-N 398.366 4.031 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587267562 NDCWWHBCMSEGMN-CQSZACIVSA-N 377.404 4.164 5 1 GIBF Cc1ccc2nc3ccccc3c([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2c1 963492373 QIJFOMLLDAIYLM-GBXCKJPGSA-N 398.462 4.399 5 1 GIBF CC1=CC(C)=[N+]2[C@@H]1[C@H](c1ccc([N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 1857769528 NLJLGVMJANUWRJ-SFTDATJTSA-N 384.303 4.472 5 1 GIBF O=C(NCc1cccc(Cl)c1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1 2965715 YJIWEWBJSVDDNT-UHFFFAOYSA-N 398.249 4.085 5 1 GIBF Nc1nc(-c2cccc([N+](=O)[O-])c2)nc2nc3c(Cl)ccc(Cl)c3nc12 96916338 APJCVFYQWKWMSV-UHFFFAOYSA-N 387.186 4.037 5 1 GIBF O=C1c2ccccc2-c2cc(-c3cccc([N+](=O)[O-])c3O)nc3ccc(O)c1c23 586987142 KCBQBSUZPCWAPQ-UHFFFAOYSA-N 384.347 4.433 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc([N+](=O)[O-])cc3)o1)O2 587390959 SYXHCLPFXJZCIH-HXUWFJFHSA-N 394.383 4.364 5 1 GIBF COc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1C 587267825 RVHFRSUMUGLSSY-UHFFFAOYSA-N 391.431 4.317 5 1 GIBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336061 NCTUXIFRBVGVDG-JBZDTAIVSA-N 387.407 4.484 5 1 GIBF COc1cc2c(cc1O)c1c(c3c(C)c(OC)cc(O)c32)CN2CCC[C@H]2C1 2356638117 RSXVAABXMJIXRU-ZDUSSCGKSA-N 379.456 4.250 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[N+](=O)[O-])N1 587743416 AQKNQAOSTMWDON-BTDLBPIBSA-N 379.229 4.294 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1[N+](=O)[O-] 587229636 JNGKLEYTAQXDOX-UHFFFAOYSA-N 390.359 4.053 5 1 GIBF CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2cc([N+](=O)[O-])ccc12 587646106 JRZWZUKIHVQBMT-UHFFFAOYSA-N 382.269 4.476 5 1 GIBF O=[N+]([O-])c1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587183510 DDDQKBMYVUNOBW-UHFFFAOYSA-N 399.575 4.396 5 1 GIBF Nc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1ccc([N+](=O)[O-])cc1 84604186 GFOXDPBTRIMUAH-UHFFFAOYSA-N 375.363 4.231 5 1 GIBF COc1cc(-c2ccc3c(c2)Nc2ccc(N)cc2NC3=O)ccc1[N+](=O)[O-] 38495744 CWVNCICHESNJLX-UHFFFAOYSA-N 376.372 4.162 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C(=O)N1CCC[C@H]1C3 40956947 HKZFPEULQAUTQB-ZDUSSCGKSA-N 377.440 4.180 5 1 GIBF COc1cc2c3c(c4cc5c(cc4c2cc1OC)OCCO5)CN1CCC[C@H]1C3 73295262 KZXPFZPLKGIQOD-AWEZNQCLSA-N 391.467 4.302 5 1 GIBF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(NC(C)C)c([N+](=O)[O-])cc3C(=O)C[C@H]21 103290375 ZTGMMKAPFNKMML-HMXCVIKNSA-N 388.464 4.239 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3cccc([N+](=O)[O-])c3C2)N1 587749273 DHVBQUUZIKNVIS-MLCYQJTMSA-N 391.240 4.025 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](O)[C@@]1(C)CCCN1C3 14514402 LBYUDVFVSJBGSN-BJKOFHAPSA-N 393.483 4.420 5 1 GIBF biogenic C[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128361 KLMSXNWIXJZQLZ-SCSAIBSYSA-N 392.700 4.201 5 1 GIBF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587038950 CMQLODTUFDOBQA-LBPRGKRZSA-N 384.845 4.107 5 1 GIBF COc1cc(Cl)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587065549 UBCPGVUEICJHBX-UHFFFAOYSA-N 396.186 4.178 5 1 GIBF CS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646288 NFKAOLBWTZWMGV-UHFFFAOYSA-N 384.335 4.165 5 1 GIBF Cn1cc(Oc2cccc([N+](=O)[O-])c2Cl)c(=O)cc1COc1ccccc1 473119860 MUSWULLULUVTEK-UHFFFAOYSA-N 386.791 4.318 5 1 GIBF Sc1nnc(SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 587026473 YDZQQMGFWBFOOY-UHFFFAOYSA-N 382.499 4.092 5 1 GIBF Cc1ccc(C[C@@H]2CCOC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)cc1 1857619571 BIFYTURICGPXBT-SFHVURJKSA-N 398.459 4.140 5 1 GIBF Cc1ccc2c(=O)c3c(O)cc(OCCCCCCO[N+](=O)[O-])cc3oc2c1 1857628809 AMYXAXMFWMOITK-UHFFFAOYSA-N 387.388 4.108 5 1 GIBF CCOc1ccc(Cl)cc1-c1cc(Nc2cccc([N+](=O)[O-])c2)nc(N)n1 26390944 UWKCHGZLRWERCP-UHFFFAOYSA-N 385.811 4.430 5 1 GIBF COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc([N+](=O)[O-])c1O 169290374 AYUUUJGKWUWJBU-RPXQORIISA-N 375.421 4.080 5 1 GIBF CC(C)CCNc1ccc2nnn3c4ccc(Br)cc4c(=O)c1c23 101321754 QFLIDLCNJLCZDM-UHFFFAOYSA-N 385.265 4.054 5 1 GIBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Cl)c(Cl)c1 587644955 RYDAMKXURXJOMM-UHFFFAOYSA-N 393.182 4.401 5 1 GIBF COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163459 QCCPHZIPYGUERE-UHFFFAOYSA-N 399.476 4.241 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587746705 KHFIILJDVKUWLS-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2cc(F)c(F)cc2n1Cc1ccccc1 1772582145 QUHQVMMOZUKSSM-UHFFFAOYSA-N 393.349 4.298 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC2=O 587472544 JKJUERWTMQAEBX-OAQYLSRUSA-N 398.415 4.006 5 1 GIBF CN1CCN(CCCCCn2c3ccccc3c3nc4ccccc4nc32)CC1 1772612824 BQBFEUJTJAWSNW-UHFFFAOYSA-N 387.531 4.155 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@@H](O)[C@H]1CCCCN1C3 13411460 KKXLHPYVIGADHN-YKSBVNFPSA-N 393.483 4.420 5 1 GIBF biogenic Cc1nn(Cc2ccccc2-c2nc3cc(F)cc(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587267213 GTPXRIPBGXPPAG-UHFFFAOYSA-N 383.358 4.278 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccccc3[N+](=O)[O-])o1)O2 587391766 YNZWTZRRAPNVNN-HXUWFJFHSA-N 394.383 4.364 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587749803 ZJPZCCBBIIZGMC-XYZCENFISA-N 395.228 4.129 5 1 GIBF Cc1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c([N+](=O)[O-])c1 587875917 VGMCGFQWIKIOFH-NSHDSACASA-N 383.335 4.119 5 1 GIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@@H]1[C@H]3O 1772632160 RJEFIRXCTLAIQK-AUSIDOKSSA-N 379.456 4.117 5 1 GIBF CC(=O)Oc1cccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12 1857546894 BSUFQXSFZNAWFD-VMPITWQZSA-N 379.328 4.147 5 1 GIBF Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(Cl)c(F)c1 1857614617 SPYGMSDERKVRTK-UHFFFAOYSA-N 398.781 4.366 5 1 GIBF CC(C)(O)CCc1ccc(O)c2oc3cc4c(c(O)c3c(=O)c12)C=CC(C)(C)O4 14613749 VIMVNUNYFFLZDN-UHFFFAOYSA-N 396.439 4.245 5 1 GIBF biogenic,in-vitro Cc1c(O)ccc2c1oc(=O)c1c(Br)cc(Br)cc12 28572002 XZVKALIVWLRZAJ-UHFFFAOYSA-N 384.023 4.485 5 1 GIBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587389103 JAVIHKGATWLNJZ-HXUWFJFHSA-N 394.383 4.461 5 1 GIBF COc1cccc2c(=O)c3cc(F)cc(C(=O)Nc4cc(Cl)ccn4)c3[nH]c12 49069150 OESCFOAVSLKDQQ-UHFFFAOYSA-N 397.793 4.130 5 1 GIBF COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Cl)c1O 587046219 NQIZOQCYOOACDF-UHFFFAOYSA-N 398.600 4.268 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C)O2 587389145 JGNTVRTVJVOEKH-FQEVSTJZSA-N 377.400 4.291 5 1 GIBF CCC(=O)[C@@H]1[C@@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 100791162 JYGCGYZVYIDMNS-QTQZEZTPSA-N 382.460 4.302 5 1 GIBF O=[N+]([O-])c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587183241 VYRBDVPORJNPIU-UHFFFAOYSA-N 399.575 4.396 5 1 GIBF CCN(C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82216976 JCUIUVXORWCTNP-UHFFFAOYSA-N 397.479 4.136 5 1 GIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)c(F)cc2[nH]1 587159178 LHNFQCXIUSYZPV-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF COc1ccc2c(c1)CC[C@](N)(c1nc3c4cccnc4c4ncccc4c3[nH]1)C2 587247650 VZMUYRQKRFGBFB-XMMPIXPASA-N 395.466 4.011 5 1 GIBF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587432409 JXRFTKBIEFTQNC-ZWWNWMABSA-N 379.412 4.132 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2=O 587470119 IHMZAWAYERCPKM-OAQYLSRUSA-N 398.415 4.006 5 1 GIBF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746474 KCFRDTFGZXGMQF-HUTHGQBESA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1ccc([C@H](O)CNCCc2ccccc2)cc1OCc1ccccc1 45168671 DQCGNGPZKFZVIS-JOCHJYFZSA-N 392.455 4.040 5 1 GIBF Cc1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145066 SVNFAIBLEUJUDW-UHFFFAOYSA-N 392.346 4.346 5 1 GIBF O=C(NCCc1nc2c3cccnc3c3ncccc3c2[nH]1)OCc1ccccc1 587228578 SXQFEJFJQLAWHB-UHFFFAOYSA-N 397.438 4.128 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cn4)cc1)[C@@H](C2)C3=O 587434462 VRBIKMLHXNTZAS-HTAPYJJXSA-N 388.379 4.154 5 1 GIBF O=C(/C=C/c1ccccc1)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 1857574897 VBJDZCNBGHTHCU-NTEUORMPSA-N 394.427 4.493 5 1 GIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)cc2[nH]1 587055990 RUOSUOHJPHEFDB-INIZCTEOSA-N 390.802 4.391 5 1 GIBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587274042 MLBZKODUTCTDTK-AWEZNQCLSA-N 377.404 4.050 5 1 GIBF COc1cc2cc([C@H]3CC[N+](C)(Cc4ccccc4)C[C@@H]3O)sc2cc1OC 169348722 GCIVIYYHFXJQEK-QHEXFSSWSA-N 398.548 4.414 5 1 GIBF O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1Nc1cc(F)cc(Cl)c1 1857643719 CDOLAAMXGRJGPL-UHFFFAOYSA-N 380.731 4.127 5 1 GIBF COc1ccc2c(=O)c3c(OC)c4c(c(OC)c3oc2c1OC)OC(C)(C)C=C4 36443189 DLIXREHRECIYQJ-UHFFFAOYSA-N 398.411 4.165 5 1 GIBF endogenous,in-man CC1=NN(C(=S)SCc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccccc2)C1 49792583 RAUBFSPAQJPIRP-SFHVURJKSA-N 387.486 4.040 5 1 GIBF CN1CC[C@@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84690230 NSINXJBYBMYOGI-OAHLLOKOSA-N 379.913 4.264 5 1 GIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3F)oc12 299866689 WEQFKBQMQGWWGD-UHFFFAOYSA-N 396.370 4.484 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccc([N+](=O)[O-])cc13)(C1CC1)O2 587391734 YADYQTFYUJLQDU-OAQYLSRUSA-N 377.400 4.237 5 1 GIBF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644919 QVGGDUCZYXEUPB-UHFFFAOYSA-N 393.182 4.406 5 1 GIBF O=C1CCc2cc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3cc2N1 587269236 JAYKVSOMMYQXSL-UHFFFAOYSA-N 385.383 4.085 5 1 GIBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586915503 DSYNDUJJXUZMCY-BLVKFPJESA-N 385.807 4.341 5 1 GIBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2cccc(F)c2)c1O 587937899 ZZMCQFZMBSKECQ-UHFFFAOYSA-N 393.168 4.365 5 1 GIBF CCC(=O)[C@@H]1[C@@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@H]2CC[C@@H]1N2C 36270731 JYGCGYZVYIDMNS-LAVAIGHBSA-N 382.460 4.302 5 1 GIBF COc1ccc(CCCn2c(=O)c3ccccc3c3nc4ccccn4c32)cc1 103232337 NOTADCZRELRZFP-UHFFFAOYSA-N 383.451 4.444 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)c(F)cc2[nH]1 587264401 RCWCLVDTHXVQRC-NSHDSACASA-N 387.367 4.270 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(CC)cc2[nH]1 587266270 ZSXHXXDDVOBCPM-LBPRGKRZSA-N 383.404 4.385 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccc([N+](=O)[O-])c4)n1)[C@@H](C2)C3=O 587431498 FPLBTWWCCBXTNL-KSFYIVLOSA-N 388.379 4.154 5 1 GIBF Cc1c(Br)cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1C 587270915 UITGJTICRAQIPO-AWEZNQCLSA-N 389.253 4.093 5 1 GIBF CC(C)c1nn(C)c2c1[C@@](C)(c1cc3c(ccc4ccccc43)oc1=O)NCC2 962922465 XGHBHYOLHAWILD-XMMPIXPASA-N 387.483 4.212 5 1 GIBF COc1c(F)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F 587135345 ZWOIDXPLCGEXRX-UHFFFAOYSA-N 384.136 4.187 5 1 GIBF COc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260742 BUOCKVZCMKCKLU-UHFFFAOYSA-N 385.273 4.313 5 1 GIBF O=c1c2ccccc2oc2cc(OCCCCCCCO[N+](=O)[O-])cc(O)c12 1857746083 JWCPDONSEGWDJI-UHFFFAOYSA-N 387.388 4.189 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc([N+](=O)[O-])c2)N1 587747424 NTIHIHYVKYZAHD-QGHHPUGFSA-N 379.229 4.294 5 1 GIBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C/c1ccc(-c2ccccc2)cc1 53230691 AFISYERGFLOUQT-FMIVXFBMSA-N 377.400 4.023 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[N+](=O)[O-])(c2ccccc2)N1 587744071 GEMRZBHTHRHTJP-XIKOKIGWSA-N 393.256 4.033 5 1 GIBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 13863189 NUXMVQKNCWNWJT-AWEZNQCLSA-N 393.399 4.255 5 1 GIBF O=C(c1ccc(I)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280394 VPKICMPWXPKCNP-UHFFFAOYSA-N 393.136 4.177 5 1 GIBF Cc1cnc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c([N+](=O)[O-])c1 962700775 KLKCEMVVCCTDBN-VLIAUNLRSA-N 387.480 4.064 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[N+](=O)[O-])N1 587747590 OSODWJPKEOGQOO-BMLIUANNSA-N 379.229 4.294 5 1 GIBF COc1ccc2c(ccn2CCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1 26993642 UWAHLBUWOFXLAE-UHFFFAOYSA-N 395.523 4.413 5 1 GIBF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587576480 OUUQGEMFSZTXFX-DYESRHJHSA-N 377.352 4.312 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2F)N1 587714992 GSZASWMUEKPVDU-ZKANADHPSA-N 383.192 4.259 5 1 GIBF Cc1cc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2cc1[N+](=O)[O-] 587074380 UOCBRGRNYUGFDL-UHFFFAOYSA-N 382.811 4.048 5 1 GIBF Cc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br 587159729 VSVBDCBHAMEYRD-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF COc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261231 ZOCBKEFSUYNGMD-UHFFFAOYSA-N 383.282 4.054 5 1 GIBF O=[N+]([O-])c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 95771088 VVMIEXKZVYEPIA-UHFFFAOYSA-N 377.444 4.095 5 1 GIBF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587574960 HJIXEQRTCSCUTB-UWJYYQICSA-N 393.351 4.012 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746343 JPADZNLRFRTZKS-XYZCENFISA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1cn(C[C@H](OCc2cc(F)cc(F)c2)c2ccc(F)cc2F)cn1 66078764 PLIBEHNHOAUQJF-KRWDZBQOSA-N 395.312 4.306 5 1 GIBF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644953 RTOTYBAYKSDSQU-UHFFFAOYSA-N 393.182 4.406 5 1 GIBF O=[N+]([O-])c1cc(-c2nnc(SCc3ccccc3Cl)o2)cc([N+](=O)[O-])c1 1772628384 FYGBVKUZYWSJKU-UHFFFAOYSA-N 392.780 4.499 5 1 GIBF c1cnc(NCc2cccc3cc4cccc(CNc5ncccn5)c4nc23)nc1 45299930 BLDRIQPJSNACRW-UHFFFAOYSA-N 393.454 4.192 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1[N+](=O)[O-] 587060424 FRBGUYUCENSAQM-UHFFFAOYSA-N 385.723 4.355 5 1 GIBF COc1ccc(-c2ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c(F)c2)c(F)c1 587151488 IBSBMQUVSTZKMD-UHFFFAOYSA-N 382.326 4.487 5 1 GIBF COc1ccc(C(O)(C[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccc(OC)cc2)cc1 103233991 NLTIZGMICXWHCL-FJPGZJACSA-N 396.551 4.347 5 1 GIBF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc([N+](=O)[O-])c1)CC2=O 587468095 AQQJQMITQUHPIV-LEQVUBRHSA-N 396.443 4.189 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746339 JPADZNLRFRTZKS-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF COc1cccc(C2(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CCCC2)c1 587933879 YDIQONOHTQUYEW-UHFFFAOYSA-N 382.376 4.248 5 1 GIBF Cc1ccc(C)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 587268810 BASWDJMYFDWMAN-UHFFFAOYSA-N 378.432 4.108 5 1 GIBF Cc1cc(C)cc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587564251 HBJMILZZMNUQJE-UHFFFAOYSA-N 376.210 4.429 5 1 GIBF O=[N+]([O-])c1ccc(-c2cnnc(N3CC[C@@H](c4cccc(Cl)c4)C3)n2)cc1 103226915 NPMZJDXCDOEXBK-OAHLLOKOSA-N 381.823 4.094 5 1 GIBF COc1cc2c(ccc3c2[nH]c2c4cc(OC)c(O)cc4oc(=O)c32)cc1O 202840579 MOHREVYYIPQFFL-UHFFFAOYSA-N 377.352 4.009 5 1 GIBF O=[N+]([O-])c1sccc1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962635403 IUUCPGXDTCDGHL-NQIIRXRSSA-N 391.496 4.493 5 1 GIBF O=[N+]([O-])c1cc(F)ccc1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962699472 IGOAQQOHLSTVAH-ORAYPTAESA-N 376.428 4.326 5 1 GIBF Cc1nc(NCc2cccc(Cl)c2Cl)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821424 FZJYLYQJLXBTEE-UHFFFAOYSA-N 393.234 4.106 5 1 GIBF CCC(=O)[C@H]1[C@@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@H]2CC[C@@H]1N2C 36270729 JYGCGYZVYIDMNS-OCQZMCQHSA-N 382.460 4.302 5 1 GIBF O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3ccc(Cl)cc3Cl)C2)ccc1CO 1857771242 MOEFHKZVGAMPCT-MRXNPFEDSA-N 396.274 4.080 5 1 GIBF CN(C)c1nc2c([nH]1)c(C(=O)c1c[nH]c3ccccc13)nc1[nH]c3ccccc3c12 15264119 HFDRCDQEZCGEDH-UHFFFAOYSA-N 394.438 4.371 5 1 GIBF biogenic COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@H]2CC[C@H]1N2C 253634726 VAOSRYXOQDMAAS-KRZXBLKESA-N 380.444 4.001 5 1 GIBF CCC[N@@+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253806506 LXBMEFHVAVNYTC-DVECYGJZSA-N 382.480 4.013 5 1 GIBF Cc1cc(N(C)Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c([N+](=O)[O-])cc1F 587136683 INDNUJJDEQJEOB-UHFFFAOYSA-N 384.198 4.257 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(F)c2)N1 587725519 QRVICCOQSIHELO-ZKANADHPSA-N 383.192 4.259 5 1 GIBF CN1CCN(C(=O)CCC(=O)Nc2cc3cccc4ccc5cccc2c5c43)CC1 299830476 IMTPDDONFGYLSJ-UHFFFAOYSA-N 399.494 4.077 5 1 GIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3Cl)cc1)C2 45301135 DWWVEOZBOMSMDW-HNNXBMFYSA-N 385.807 4.090 5 1 GIBF CN(C)CCCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ccncc12 43013911 XWJLLNPDILPDNC-UHFFFAOYSA-N 380.879 4.204 5 1 GIBF Cc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2ccccc2)nn1 299862902 KHEZYAYLTOXOIU-UHFFFAOYSA-N 380.451 4.151 5 1 GIBF O=[N+]([O-])c1cc(/C=C\c2nc3cncc(Br)c3[nH]2)ccc1Cl 587048541 XATSDYFVNPBYEW-RQOWECAXSA-N 379.601 4.452 5 1 GIBF CCCC[N@+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253665450 CHAIWVMLWNJULV-NBGIEHNGSA-N 396.507 4.403 5 1 GIBF COc1cc(C)ccc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587564851 ZLDHAOYTCMVJSG-UHFFFAOYSA-N 392.209 4.130 5 1 GIBF O=[N+]([O-])c1cnc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 587110190 OVJMXFMZULAJLQ-UHFFFAOYSA-N 390.243 4.495 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)[C@H](O)CN(Cc1ccc(-c3ccccc3)cc1F)CC2 1857638875 PAGHFWHQSWZFKP-HSZRJFAPSA-N 392.430 4.493 5 1 GIBF Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@@H](C)[C@@]2(C)O 2356718689 CRSYXEQNEAGMIY-QZHYLFOLSA-N 396.439 4.093 5 1 GIBF NS(=O)(=O)c1cc2nc(-c3ccc(Cl)cc3)n3c4ccccc4oc(c1)c23 95589409 RPHCOYLRQPFIIY-UHFFFAOYSA-N 397.843 4.202 5 1 GIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Cl 587049860 MNPRZFWWXIBTPG-RQOWECAXSA-N 389.711 4.111 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1 587265760 SNWICCYPJOOEIU-ZETCQYMHSA-N 379.735 4.345 5 1 GIBF CC(=O)c1c(-c2cc(Br)ccc2O)[nH]c2cccc([N+](=O)[O-])c12 587643637 HPKZQACZSWNHNW-UHFFFAOYSA-N 375.178 4.414 5 1 GIBF COc1cccc2c3c(cnc12)CCN[C@@]31CC(C)(C)c2ccc([N+](=O)[O-])cc21 963044882 FEZUBCSYCROVJI-HSZRJFAPSA-N 389.455 4.222 5 1 GIBF O=C(c1ccccc1)c1nc2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3)nnc12 64540672 IGCPVOMHJUWJPV-UHFFFAOYSA-N 395.378 4.084 5 1 GIBF Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2[N+](=O)[O-])on1 27522415 PNVRSOAWFNXNNV-UHFFFAOYSA-N 393.827 4.113 5 1 GIBF COCCNc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587262399 UETWOVUEJKXRJL-UHFFFAOYSA-N 398.316 4.354 5 1 GIBF O=C(CCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(Cl)cn1 587082136 LMJSNNHYROCYOM-UHFFFAOYSA-N 379.203 4.379 5 1 GIBF CC(=O)Nc1cccc(N=c2[nH]c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)c1 1857629950 CWTFAHQTCPCXAZ-UHFFFAOYSA-N 399.410 4.329 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084173 INDBEARSHQUTET-UHFFFAOYSA-N 393.628 4.362 5 1 GIBF CNc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746826 LJTNDDWXPGEXFK-XLFHBGCDSA-N 394.244 4.162 5 1 GIBF COc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(OC)c1C 587786259 FRLYDXDPQGLKMN-UHFFFAOYSA-N 392.209 4.226 5 1 GIBF CCC(=O)[C@@H]1[C@@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@@H]2CC[C@@H]1N2C 169306347 JYGCGYZVYIDMNS-CQSHLORDSA-N 382.460 4.302 5 1 GIBF O=C(OCc1ccccc1)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 1857609436 OMUCPLAJAGAINM-UHFFFAOYSA-N 390.355 4.232 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743536 AVLHAZJFGTZPDK-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF CCOC(=O)c1ccc(-n2nc(-c3cccc(F)c3)cc2OCC)c([N+](=O)[O-])c1 587871267 DUYGUWFWWUSCJR-UHFFFAOYSA-N 399.378 4.162 5 1 GIBF O=c1nc(N2CCOCC2)oc2ccc3cc(-c4ccc(Cl)cc4)ccc3c12 1772629839 QIRKIYPHAGOXOX-UHFFFAOYSA-N 392.842 4.498 5 1 GIBF O=C(c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 82135250 UPUSLAFLMWNKJI-UHFFFAOYSA-N 395.463 4.032 5 1 GIBF Cc1ccc2c(ccc3nc(CN(C)c4cc(C)c(F)cc4[N+](=O)[O-])[nH]c32)n1 587136033 AMAZXIIMUSAINB-UHFFFAOYSA-N 379.395 4.412 5 1 GIBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc([N+](=O)[O-])c1 587657373 UZIXDKMTGRHBQG-UHFFFAOYSA-N 379.322 4.239 5 1 GIBF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587162447 CLPSTAAYIHDQIZ-AWEZNQCLSA-N 393.216 4.024 5 1 GIBF COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@@H](C)N(C(=O)/C=C/c1ccccc1)CC3 1620066 KAALNPSYWZITQC-BMGYJQCNSA-N 391.427 4.244 5 1 GIBF CCN(CC)c1nc(C)c([N+](=O)[O-])c(NC(=S)Nc2cccc(Cl)c2)n1 103168769 KBDFBGYZWCEOQD-UHFFFAOYSA-N 394.888 4.002 5 1 GIBF O=C1C[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)Oc2c1ccc1c2CCCC1 587511724 IGSBJLNIJLUGME-GOSISDBHSA-N 391.383 4.230 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576153 MYBSVXDJUDRSKW-GHTZIAJQSA-N 377.352 4.312 5 1 GIBF O=C1C[C@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)Oc2c1ccc1c2CCCC1 587514292 WIXSZKJWFLUJIV-NQIIRXRSSA-N 381.432 4.189 5 1 GIBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1 34804441 VVIKVYNQTKTERK-UHFFFAOYSA-O 391.894 4.487 5 1 GIBF CNc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576340 OABRBECQEFPQMS-WIYYLYMNSA-N 392.367 4.045 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175618 WFBZDUIKOKRHNA-UHFFFAOYSA-N 389.184 4.445 5 1 GIBF C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3[N+](=O)[O-])ccc2o1 13674355 JGEZUVQRDLSMME-OAHLLOKOSA-N 380.448 4.375 5 1 GIBF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587574953 HHNDELLDQIVPHO-GHTZIAJQSA-N 377.352 4.312 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2[N+](=O)[O-])N1 587726015 HISWUZCKIDISSI-XYZCENFISA-N 397.219 4.433 5 1 GIBF CC(C)(O)CCc1c2c(c(O)c3c(=O)c4cccc(O)c4oc13)CCC(C)(C)O2 14768871 DBKLPARCLDNAEQ-UHFFFAOYSA-N 398.455 4.165 5 1 GIBF biogenic,in-vitro CC[C@@H](CO)Oc1cc(NCc2cccc([N+](=O)[O-])c2)c2ncn(C(C)C)c2c1 61948996 GYFJHZBGQQHMAA-KRWDZBQOSA-N 398.463 4.287 5 3 GIBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586915504 DSYNDUJJXUZMCY-BUXKBTBVSA-N 385.807 4.341 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@@H]1[C@H]3O 210855403 CMONGIHNDXAKGU-HYBUGGRVSA-N 393.483 4.420 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](O)[C@]1(C)CCCN1C3 14514399 LBYUDVFVSJBGSN-ZEQRLZLVSA-N 393.483 4.420 5 1 GIBF biogenic CC[N+](C)(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 43062316 XOSNXEFQFPGDCV-UHFFFAOYSA-O 388.491 4.261 5 1 GIBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(F)c1 103177673 ALQWFAKWXLYSHY-UHFFFAOYSA-N 399.614 4.495 5 1 GIBF CNc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587747413 NRJUBIOKROKMAP-HUTHGQBESA-N 394.244 4.162 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2[N+](=O)[O-])N1 587723292 WPDATZOWGNUDIH-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc([N+](=O)[O-])c1O 101636957 AYUUUJGKWUWJBU-PQOHOTMKSA-N 375.421 4.080 5 1 GIBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262960 ILCIJESVFQAVEK-XYPHTWIQSA-N 379.416 4.016 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc([N+](=O)[O-])c1C)[C@@H](C2)C3=O 587434336 SYEIKCFSAMYUQY-NYHFZMIOSA-N 390.395 4.191 5 1 GIBF O=C(c1ccc(SCc2cccnc2)c([N+](=O)[O-])c1)N1CCc2ccccc21 82148401 BAXBLFQRYBOJOU-UHFFFAOYSA-N 391.452 4.485 5 1 GIBF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587747868 QLGBCGYMPLNRPA-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF COc1cccc(OCc2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)c1 587782839 YIHMJZKRTXHKEE-UHFFFAOYSA-N 376.372 4.121 5 1 GIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587270039 ICMBXKNEDVTCQX-LBPRGKRZSA-N 382.367 4.326 5 1 GIBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2ccccc2)cc1 35324016 WRDVXQIVQFNQTQ-UHFFFAOYSA-N 398.440 4.212 5 1 GIBF COc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1Cl 587136703 JGPKDXZOCGIIKC-UHFFFAOYSA-N 378.791 4.217 5 1 GIBF COc1ccc2c(c1OC)[C@@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962642532 ZBRSGANPFHTRGE-FKIZINRSSA-N 390.867 4.405 5 1 GIBF COc1c2ccc(I)cc2nc2ccc(N(C)C)cc12 95585268 FJANEWMRUQGDCM-UHFFFAOYSA-N 378.213 4.067 5 1 GIBF COC(=O)[C@H]1[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[C@H]2CC[C@H]1N2C 253701616 LMRSIESFCISDEV-PMXSJFBMSA-N 380.444 4.001 5 1 GIBF NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)CC1 587644625 IQFHOPRLSTZNCX-UHFFFAOYSA-N 398.850 4.098 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)cc(Br)c2[nH]1 587266887 CFAZVZJOIBSOTA-SSDOTTSWSA-N 384.621 4.001 5 1 GIBF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cccnc1 36242555 YXYAAPPDKDVBLS-HZPRZSHXSA-N 398.415 4.204 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587422204 SHCUDQVAQIECKS-SJCJKPOMSA-N 379.290 4.111 5 1 GIBF C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577694 UFPXFEALOVNOTF-RXVVDRJESA-N 377.352 4.177 5 1 GIBF O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1cccc([N+](=O)[O-])c1 103196414 NHDBIBVZBZKNSM-GOSISDBHSA-N 383.454 4.210 5 1 GIBF CN(C)CCCNC(=O)c1cc2c3cccc(Cl)c3[nH]c2c2ncccc12 43010058 SPXBKPGGYWYWPQ-UHFFFAOYSA-N 380.879 4.204 5 1 GIBF CCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1 95579889 PJDGVHAYCNBZDN-UHFFFAOYSA-N 381.472 4.405 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](C2)C3=O 587422449 UNEGRNDKGHXUJP-SJCJKPOMSA-N 379.290 4.111 5 1 GIBF COc1ccc([C@H](Cc2cc([N+](=O)[O-])ccc2OC)c2csc(N)n2)cc1 40880713 PBSYABIBXNOMBJ-INIZCTEOSA-N 385.445 4.025 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 587261448 BTUJWKIFBKAWRE-JTQLQIEISA-N 389.795 4.476 5 1 GIBF CS[C@@H]1S[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CC(C)(C)CC(=O)[C@H]12 40860767 LNPLHXQOMCAECE-QIJZBDPFSA-N 379.503 4.204 5 1 GIBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587377782 JUWNAECOYJFCNS-GOSISDBHSA-N 376.796 4.028 5 1 GIBF COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963103817 GRWGXPMXINEJFF-QGZVFWFLSA-N 383.231 4.154 5 1 GIBF O=C1c2ccc(O)cc2O[C@](C[N+](=O)[O-])(c2ccccc2)[C@@H]1c1ccc(F)cc1 587330358 BLXYPRNHLHFKEC-IFMALSPDSA-N 393.370 4.062 5 1 GIBF O=[N+]([O-])c1c(F)cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1F 961613952 JEZLUBCHGLSWNP-OAHLLOKOSA-N 395.203 4.403 5 1 GIBF C[n+]1c(-c2ccccc2)cc2/c(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3n21 5850825 WBXVUIPSHWHTOW-RCCKNPSSSA-N 380.427 4.040 5 1 GIBF COc1cc2cnc3c4cc(OC)c(OC(C)=O)cc4ccc3c2cc1OC 40940168 CHWKWKDZRLJGIZ-UHFFFAOYSA-N 377.396 4.492 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC[N+](=O)[O-])(c2ccccc2)N1 587744064 GEMRZBHTHRHTJP-KPZWWZAWSA-N 393.256 4.033 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@@H](O)[C@H]1CCC[N+]1([O-])C3 13370341 LDYKNAJDTNPEPC-DHFLCVKNSA-N 395.455 4.043 5 1 GIBF biogenic,in-vitro COc1cccc(Nc2nc3c([N+](=O)[O-])cc(Cl)cc3c(O)c2C(C)=O)c1 84614680 IHZHCOVAVMDLDD-UHFFFAOYSA-N 387.779 4.457 5 1 GIBF Cc1cc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1[N+](=O)[O-] 587043545 RNKUGQYHNSRTSD-HNNXBMFYSA-N 388.836 4.088 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(F)c(F)c2[nH]1 587265791 XSAIKMTZHBDDIE-VIFPVBQESA-N 391.330 4.101 5 1 GIBF CCCc1c(O)ccc2c1O[C@]1(CCOc3c([N+](=O)[O-])cc(F)cc31)CC2=O 587473278 ZHYBAENHTLACRQ-HXUWFJFHSA-N 387.363 4.035 5 1 GIBF COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c1 587644833 CTYFUYXIJWFNOV-UHFFFAOYSA-N 394.305 4.343 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c([N+](=O)[O-])c2)N1 587713929 DMKGMUVKOZOTGL-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1C 587871495 JHNSFWPRIBFDHU-UHFFFAOYSA-N 384.367 4.385 5 1 GIBF O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc3ccccc3c2)CCNCC1 64559006 FFJFOWQWISWWAV-UHFFFAOYSA-N 390.439 4.113 5 1 GIBF CSc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1 45301000 WMSIVIFVNGQALK-KRWDZBQOSA-N 397.456 4.158 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c([N+](=O)[O-])cccc32)N1 587752358 RLWHYNHKCFWBSO-YPMLDQLKSA-N 391.240 4.220 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1csc(-c4cccc([N+](=O)[O-])c4)n1)[C@@H](C2)C3=O 587449082 DTWMPTLAEVSRLV-IFXJQAMLSA-N 394.408 4.216 5 1 GIBF CNc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576300 OABRBECQEFPQMS-NQIIRXRSSA-N 392.367 4.045 5 1 GIBF COc1ccc2c(c1OC)[C@@]1(CCCc3c([N+](=O)[O-])cccc31)N(C)[C@H](C)C2 962621545 HDUGUZOSIYRSGL-PEBXRYMYSA-N 382.460 4.068 5 1 GIBF COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)C[C@@H]1CCCN1C3 38545056 IPEYRWVHYYVFAP-ZDUSSCGKSA-N 379.456 4.245 5 1 GIBF biogenic O=[N+]([O-])c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Cl 587008406 VFQWQXQRLMAZGT-UHFFFAOYSA-N 392.600 4.202 5 1 GIBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 27553465 CGNGWURGADZDKB-CQSZACIVSA-N 393.399 4.255 5 1 GIBF O=C(O)CCC(=O)Nc1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587645199 YZBQZRXOBBNOTC-UHFFFAOYSA-N 387.779 4.200 5 1 GIBF CN1CCN(c2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)CC1 587048722 DWSMSGBNXXEYLC-CLTKARDFSA-N 397.866 4.047 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc([N+](=O)[O-])c1F 587557087 LOASJFMTFBIZEU-JXFKEZNVSA-N 399.305 4.282 5 1 GIBF O=[N+]([O-])c1cccc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 587270255 KXQXMSYTMGTDCM-UHFFFAOYSA-N 381.617 4.067 5 1 GIBF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587041823 GNVCKYILHAMEBQ-AWEZNQCLSA-N 391.500 4.279 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cccc([N+](=O)[O-])c1)CC2=O 587468097 AQQJQMITQUHPIV-SSSWZJSRSA-N 396.443 4.189 5 1 GIBF O=[N+]([O-])c1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586975724 IQJQGQOUEQEKRM-UHFFFAOYSA-N 382.601 4.466 5 1 GIBF Cc1cc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2cc1[N+](=O)[O-] 586979926 KVCQYBWOLATEHA-UHFFFAOYSA-N 391.181 4.426 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587268756 DEPWCWPOILWMAI-UHFFFAOYSA-N 380.301 4.295 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc([N+](=O)[O-])cc2)N1 587751459 MTRHGWFFVODXMI-BMLIUANNSA-N 379.229 4.314 5 1 GIBF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cccc([N+](=O)[O-])c1F 962399452 PYDZJMDBRBRVDT-FQEVSTJZSA-N 385.464 4.456 5 1 GIBF O=C(O)c1ccccc1/C=C\c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586881457 GCUSUVWRHJZPOS-WAYWQWQTSA-N 388.177 4.102 5 1 GIBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)nn1CC(F)(F)F 587091350 DVBLDELWMFXAJX-UHFFFAOYSA-N 380.113 4.204 5 1 GIBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 587657449 XIYVZLBTNANCBT-UHFFFAOYSA-N 379.322 4.239 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c([N+](=O)[O-])cccc32)N1 587750059 GFUXUDDVZZINLV-YPMLDQLKSA-N 391.240 4.220 5 1 GIBF O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCN1CCCC1)C2 473154765 LNVSWKMRGVHFQH-GOSISDBHSA-N 387.483 4.056 5 1 GIBF O=C1C[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)Oc2c1ccc1c2CCCC1 587505540 JDFHRXACJFPXJD-NRFANRHFSA-N 383.375 4.256 5 1 GIBF COCCOc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587264637 HAOCPFDJCDFACE-UHFFFAOYSA-N 399.300 4.321 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(COC/C=C/c3ccccc3)[nH]c12 587780848 KEJABNGRDFRSTJ-QPJJXVBHSA-N 388.221 4.464 5 1 GIBF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586890464 PNZVFICEWKKGBE-QFYYESIMSA-N 390.237 4.379 5 1 GIBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cs1 587019002 DPRKPLFYMGAENI-UHFFFAOYSA-N 394.416 4.162 5 1 GIBF Nc1ncc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587268410 WOHBWTRQCWYNLA-UHFFFAOYSA-N 391.231 4.153 5 1 GIBF C[C@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571427 OEGMLODKQCXROV-GHTZIAJQSA-N 395.342 4.317 5 1 GIBF CCOC(=O)c1c2c3ccc(S[C@@H]4CCO[C@@H]4C)c4cccc(c-2nc1=O)c43 71294333 QWRVDLPBQXXSIP-IAQYHMDHSA-N 393.464 4.175 5 1 GIBF Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)ccc1F 71316897 MNCPYNULVVMREA-UHFFFAOYSA-N 397.413 4.026 5 1 GIBF COc1cc(OCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1[N+](=O)[O-] 587263178 NTGDDMPDWWPNNL-UHFFFAOYSA-N 385.273 4.217 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2F)N1 587714470 GEHNHONCWDAXJP-XYZCENFISA-N 397.219 4.433 5 1 GIBF Cc1ccc(-c2nnc(SCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)n2C)cc1 586964932 BOPZZMYZJFNJGQ-UHFFFAOYSA-N 398.423 4.006 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2F)N1 587721915 WQSZPAQEODCJHP-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF O=c1[nH]c(NCc2ccccc2)nc2ccc3c(Br)cccc3c12 13832482 JFDKEPQCKTUVRK-UHFFFAOYSA-N 380.245 4.451 5 1 GIBF CC(C)NCCOc1ccc2cc3ccc(OCCNC(C)C)cc3nc2c1 29412748 YJSDLNJJJZADKP-UHFFFAOYSA-N 381.520 4.142 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587422865 VMQBCNUCNYVSHB-APPDUMDISA-N 379.290 4.111 5 1 GIBF O=[N+]([O-])c1cc(CSc2nnc(-c3cccc(Cl)c3)o2)cc([N+](=O)[O-])c1 653849888 KZDLFSFYQJRKCU-UHFFFAOYSA-N 392.780 4.499 5 1 GIBF COc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261131 VNXMTCFDFUVBFG-UHFFFAOYSA-N 396.172 4.057 5 1 GIBF C[n+]1c2ccccc2c(I)c2[nH]c3ccc(F)cc3c21 13555505 FAGRQVDCCMFXQW-UHFFFAOYSA-O 377.180 4.043 5 1 GIBF Cc1c(F)cccc1-c1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc([N+](=O)[O-])c1 587135818 PCIQZSFGTRNDKI-UHFFFAOYSA-N 398.785 4.060 5 1 GIBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587576786 PTJAZPVUMGMXQJ-GHTZIAJQSA-N 393.351 4.012 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2[N+](=O)[O-])N1 587723294 WPDATZOWGNUDIH-VPTHRUTESA-N 383.192 4.259 5 1 GIBF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587746048 ITOFQIOCHHBFIH-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF CN(C)CCCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12 43120386 DVBAMQCASKBTJW-UHFFFAOYSA-N 380.879 4.204 5 1 GIBF COc1ccc(CNc2ncnc3cc(Cl)c([N+](=O)[O-])cc23)cc1Cl 40899926 WYUPFWUFQAPATH-UHFFFAOYSA-N 379.203 4.466 5 1 GIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)ncc3[nH]2)ccc1Cl 587047184 DGIXZTYGVSKMEX-DUXPYHPUSA-N 379.601 4.452 5 1 GIBF Cc1cc(=O)c2c(OCCCCOc3ccccc3)c3ccc(=O)oc3cc2o1 43073949 RNKNLBUICUHGTK-UHFFFAOYSA-N 392.407 4.446 5 1 GIBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cc(Br)ccc1O 587643955 LJIOPEDJOUWVGC-UHFFFAOYSA-N 375.178 4.084 5 1 GIBF CN1c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@@H](O)C1(C)C 1911580146 KUYCSWDMYRAUGR-GOSISDBHSA-N 398.463 4.106 5 1 GIBF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2=O 587470117 IHMZAWAYERCPKM-NRFANRHFSA-N 398.415 4.006 5 1 GIBF CSc1nc(Cl)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(Cl)n1 587280352 UKQAEINIANEWDB-UHFFFAOYSA-N 384.200 4.391 5 1 GIBF COc1ccc(CC[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC 36184622 SQSZSUOOPJUPDH-IBGZPJMESA-N 386.512 4.027 5 1 GIBF O=[N+]([O-])c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116557 HQDFAMCKLHYRFP-UHFFFAOYSA-N 399.760 4.460 5 1 GIBF COc1cc(O)c2c(oc3c4c(O)cc(O)cc4oc(=O)c32)c1CC=C(C)C 14762542 ULDXULJHYVQHLI-UHFFFAOYSA-N 382.368 4.327 5 1 GIBF biogenic Cc1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c([N+](=O)[O-])c1 587875916 VGMCGFQWIKIOFH-LLVKDONJSA-N 383.335 4.119 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(Cl)c2[nH]1 587265779 XRAZZWJSUFJYER-SNVBAGLBSA-N 389.795 4.476 5 1 GIBF O=C(NCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cccc(C(F)(F)F)c1 587112270 RVJSXBVIJOZMPW-UHFFFAOYSA-N 398.728 4.073 5 1 GIBF CCN(CC)CCn1c2ccc(OC)cc2c2sc3ncccc3c(=O)c21 1857568165 KYJQMYFZALCNNG-UHFFFAOYSA-N 381.501 4.115 5 1 GIBF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cccnc1 36242553 YXYAAPPDKDVBLS-ICGKAVCQSA-N 398.415 4.204 5 1 GIBF Cc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163709 CSXRMAYSZJSVOZ-UHFFFAOYSA-N 379.420 4.252 5 1 GIBF COc1ccc(C[C@@H](C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC 587927761 XOPHMVMRVNFGPH-SNVBAGLBSA-N 375.812 4.488 5 1 GIBF COc1cccc2cc3c(nc12)[C@@](C)(CCc1ccccc1[N+](=O)[O-])NCC3 963027545 ACNRAEGANOZOII-JOCHJYFZSA-N 377.444 4.145 5 1 GIBF NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCCCCCCCC1 40980195 MJUXZNZILTWENK-UHFFFAOYSA-N 383.514 4.327 5 1 GIBF C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(Cl)c3)(CC1)CC2 139562396 ZUYWWUMOVVGDQV-UHFFFAOYSA-O 378.905 4.395 5 1 GIBF CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174054 BNFAUOMFYZXCNI-UHFFFAOYSA-N 397.435 4.244 5 1 GIBF Cc1cc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1[N+](=O)[O-] 587204163 IXYMQNQFDMDPCH-OAHLLOKOSA-N 376.457 4.261 5 1 GIBF O=C(O)CC/C=C\C[C@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cccnc1 27758889 YXYAAPPDKDVBLS-MWSSCWGOSA-N 398.415 4.204 5 1 GIBF CCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 49112663 LOPKZCKYRROVIE-UHFFFAOYSA-N 389.295 4.487 5 1 GIBF C=CC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 587245006 VBNPAUHYSBCMEP-UHFFFAOYSA-N 387.193 4.025 5 1 GIBF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587051554 DREHMDFDLLNJBI-OAHLLOKOSA-N 389.846 4.261 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3c(F)cncc3Cl)[nH]c12 587176667 ZODRWTKSXDLQFD-UHFFFAOYSA-N 385.580 4.012 5 1 GIBF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587198821 RJALWYVCXQJYBT-UHFFFAOYSA-N 383.408 4.213 5 1 GIBF CCc1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587269743 NRIYJYIDJVLTJI-UHFFFAOYSA-N 378.432 4.053 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2[N+](=O)[O-])N1 587734705 UYMMGENWISNMDH-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF Nc1cccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c1 1911573507 JGEVWVHEFOIDMR-UHFFFAOYSA-N 394.408 4.257 5 1 GIBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1O)C[C@@H]1CCCN1C3 144070780 ZWPFWEJMOPUEJE-ZDUSSCGKSA-N 379.456 4.245 5 1 GIBF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587432406 JXRFTKBIEFTQNC-YHEJKZAPSA-N 379.412 4.132 5 1 GIBF COc1ccc2c(c1OC)[C@]1(CCc3ccc([N+](=O)[O-])cc3CC1)N(C)[C@@H](C)C2 962621331 JDLNDSRPMBZFAJ-NPMXOYFQSA-N 396.487 4.263 5 1 GIBF COc1ccc(/C(F)=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 6733327 DLUAMADIJPMGGQ-MSUUIHNZSA-N 381.331 4.394 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc([N+](=O)[O-])cc2)N1 587749583 DSKUEJGITCQYRP-BONVTDFDSA-N 379.229 4.314 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc([N+](=O)[O-])cc2)N1 587751461 MTRHGWFFVODXMI-DYZYQPBXSA-N 379.229 4.314 5 1 GIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccc(F)cc3)oc12 299865245 TULVIJZXPNFPDU-UHFFFAOYSA-N 396.370 4.484 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccc([N+](=O)[O-])cc2)N1 587750924 KMCMVSPWEWHRNZ-BTDLBPIBSA-N 395.228 4.151 5 1 GIBF Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OCc2ccccc2)cc1 29136293 ZVMRWKXRHFYMEO-UHFFFAOYSA-N 398.440 4.283 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[N+](=O)[O-])N1 587743418 AQKNQAOSTMWDON-DYZYQPBXSA-N 379.229 4.294 5 1 GIBF CN1CCN=C1/C=C/c1c2ccccc2c(/C=C/C2=NCCN2)c2ccccc12 29324795 DEOYRNWWOJMMDK-DCIPZJNNSA-N 380.495 4.365 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587421368 PNWSWUNMXWMJJG-SUMWQHHRSA-N 379.290 4.111 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1C)[C@@H](C2)C3=O 587431778 GJWPZENXYGNVBO-KSFYIVLOSA-N 390.395 4.191 5 1 GIBF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587573474 CDWLMSFCJGMWGR-NQIIRXRSSA-N 377.352 4.312 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2[N+](=O)[O-])N1 587731380 ZGJBQAJQQBTGIT-VPTHRUTESA-N 383.192 4.259 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2[N+](=O)[O-])N1 587735550 XQHHYXBIKQRUGF-XYZCENFISA-N 397.219 4.433 5 1 GIBF Cn1c2ccccc2c2c(NCCCN)nc3ccc(Br)cc3c21 169309489 GENMUUHDYUOXSS-UHFFFAOYSA-N 383.293 4.403 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(F)c1 587552978 DIIWSGGQERQXRE-XLIONFOSSA-N 381.315 4.142 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc([N+](=O)[O-])cc1F 587555959 HYEFJOQOHULQRC-XLIONFOSSA-N 399.305 4.282 5 1 GIBF Cc1cc(-c2nnc(-c3ccccc3)o2)c2nc(O)c3ccccc3c(=O)c2c1 1857647813 PZOIRRROQSKMRY-UHFFFAOYSA-N 381.391 4.479 5 1 GIBF Cc1ccccc1[C@H]1N[C@H](c2ccccc2C)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]1[N+](=O)[O-] 20064420 BYFACTYMSQYNAL-UAFMIMERSA-N 383.448 4.006 5 1 GIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587270038 IBTBFVCCMKIKME-LBPRGKRZSA-N 384.745 4.386 5 1 GIBF CN1CCc2c(Br)cccc2[C@H]1c1c[nH]c2cccc([N+](=O)[O-])c12 963289488 OBQPRFZSQCCVKN-SFHVURJKSA-N 386.249 4.416 5 1 GIBF COc1cc2ccc3c(CC[N+](C)(C)C)cc(OC)c(OC)c3c2cc1OC 135876791 DKOVNJZQGGHOPN-UHFFFAOYSA-N 384.496 4.276 5 1 GIBF CC(C)CN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147690 MJIVFAAOGJSDSD-UHFFFAOYSA-N 397.479 4.134 5 1 GIBF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587749837 ZQEBDOUFXCMCOA-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF Cn1c2nc3ccccc3c-2c(NCCCN)c2cc(Br)ccc21 102995751 SJLSTAQDKKPKRP-UHFFFAOYSA-N 383.293 4.355 5 1 GIBF O=c1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587172308 FPTUPKDVNGYWGJ-UHFFFAOYSA-N 382.326 4.066 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)ncc3[nH]2)c(C)c1[N+](=O)[O-] 587265139 ODUHARKFQYEQRT-UHFFFAOYSA-N 382.811 4.048 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1F 587556117 IUKSBIVYYDEBLB-FXAWDEMLSA-N 381.315 4.142 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)c([N+](=O)[O-])c1 587871165 BXCJRNWTGWSQGN-UHFFFAOYSA-N 399.378 4.024 5 1 GIBF COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)N(C(=O)/C=C/c1ccccc1)CC3 1620064 KAALNPSYWZITQC-ZHZWZMEUSA-N 391.427 4.244 5 1 GIBF O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cccnc1 13740451 YXYAAPPDKDVBLS-BISBTHFYSA-N 398.415 4.204 5 1 GIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1[N+](=O)[O-] 587866156 WBRIFYYFYVGANS-UHFFFAOYSA-N 378.310 4.260 5 1 GIBF O=[N+]([O-])c1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1F 587029020 FMFXWYZMILKMLS-UHFFFAOYSA-N 394.391 4.132 5 1 GIBF Nc1c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)sc2cc(Br)ccc12 587030821 IXWIZFQBWCYDEP-UHFFFAOYSA-N 390.222 4.093 5 1 GIBF O=C1C[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 587512859 PAQVNCJGMHNIMI-LJQANCHMSA-N 393.399 4.018 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc([N+](=O)[O-])c2F)N1 587726962 MZBARVQKIUCXLN-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573861 DHCHIKWKEFXFSU-WIYYLYMNSA-N 377.352 4.177 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2F)N1 587721916 WQSZPAQEODCJHP-VPTHRUTESA-N 383.192 4.259 5 1 GIBF O=C(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1cccc(F)c1 587161627 AFFAYTGXTNEZFW-UHFFFAOYSA-N 385.402 4.370 5 1 GIBF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1[N+](=O)[O-])N(C)[C@@H](C)C2 962573539 SLPQVGHYTANTJF-JEOXALJRSA-N 376.840 4.231 5 1 GIBF CCOc1cc2c3cc(OC)c(OC)cc3cn(C)c2c2cc(OC)c(=O)cc12 38626486 JJXVPPJTGXEGBC-UHFFFAOYSA-N 393.439 4.269 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(Br)c3[nH]2)c1 587262691 WHXVBYOFFFZDSF-UHFFFAOYSA-N 376.210 4.164 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc([N+](=O)[O-])c2F)N1 587726964 MZBARVQKIUCXLN-XYZCENFISA-N 397.219 4.433 5 1 GIBF CCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] 587434058 QEMNOUMCWXAUQG-QVKFZJNVSA-N 383.400 4.271 5 1 GIBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc([N+](=O)[O-])cc1C 587862472 BAOKKNUHHFAYMM-UHFFFAOYSA-N 378.310 4.178 5 1 GIBF COc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccc4ccccc4c3n2)cc1 1857598781 ISRQHXKJGRRGJX-UHFFFAOYSA-N 399.494 4.355 5 1 GIBF CN1CC[C@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84690229 NSINXJBYBMYOGI-HNNXBMFYSA-N 379.913 4.264 5 1 GIBF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(OC)c([N+](=O)[O-])c13)CC2=O 587471350 PYVKXOUVOKQXRN-SFHVURJKSA-N 396.399 4.449 5 1 GIBF COC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644249 RKVVAIHQGIYJJV-UHFFFAOYSA-N 375.178 4.292 5 1 GIBF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587749835 ZQEBDOUFXCMCOA-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3 587264970 KRGICVSXVONIFP-NSHDSACASA-N 381.392 4.431 5 1 GIBF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586890516 QHAOMPWWLJDWGD-HWPZZCPQSA-N 390.237 4.379 5 1 GIBF CC(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 587267895 UESZWHSPFYNZFA-UHFFFAOYSA-N 389.415 4.202 5 1 GIBF O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1CCC3 14945579 SNHKPCKKHSDKEH-UHFFFAOYSA-N 383.382 4.398 5 1 GIBF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163584 IRKQRXMTKMQBGY-UHFFFAOYSA-N 381.461 4.338 5 1 GIBF COc1cc(F)ccc1-c1cccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587158373 DGEAZILPRJZFPI-UHFFFAOYSA-N 378.363 4.272 5 1 GIBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587388568 DFXJDOOOLFEHIF-HXUWFJFHSA-N 394.383 4.461 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587748009 RLLHVXIIBUUDDS-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 587267404 YLSVWPZPGYXAMF-LURJTMIESA-N 397.178 4.254 5 1 GIBF COc1ccc(-c2c3ccccc3cc3c(=O)cc(N4CCOCC4)oc23)cc1 1772576045 IQUGIKIYSFPJHS-UHFFFAOYSA-N 387.435 4.458 5 1 GIBF CC(=O)N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(C)cc1 587216969 RWEZGQOARADPHJ-LJQANCHMSA-N 395.466 4.388 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(C)ccc(C)c2[nH]1 587265745 XNXFSZNUZSVZMX-CYBMUJFWSA-N 383.404 4.439 5 1 GIBF COc1ccc(-c2cn3nc(-c4ccc(N(C)C)c([N+](=O)[O-])c4)sc3n2)cc1 103230618 TWFWIWADUTWASU-UHFFFAOYSA-N 395.444 4.108 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)N1 587748681 BGOIXLCLFFGFSP-YPMLDQLKSA-N 391.240 4.025 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743531 AVLHAZJFGTZPDK-HUTHGQBESA-N 395.228 4.129 5 1 GIBF O=C(O)c1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)ccc2F)cc1F 587138424 IFGRGHXAYBZTQP-UHFFFAOYSA-N 396.309 4.177 5 1 GIBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[C@@H]2CC[C@H]1N2C 29480257 LMRSIESFCISDEV-OYNPSCLESA-N 380.444 4.001 5 1 GIBF COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Cl)c1O 587046182 MJMYOEWTMCSJNT-UHFFFAOYSA-N 398.600 4.268 5 1 GIBF Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 103201404 HYBWOUSUSMEXJF-UHFFFAOYSA-N 398.440 4.283 5 1 GIBF COCCNc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1[N+](=O)[O-] 587265915 SHYXMQOVTNSDJQ-UHFFFAOYSA-N 377.404 4.053 5 1 GIBF O=S(=O)(/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1 586923962 BWZHUTWGRZOHQS-ZHACJKMWSA-N 386.436 4.104 5 1 GIBF O=[N+]([O-])c1cc(-c2nnc(SCc3cccc(Cl)c3)o2)cc([N+](=O)[O-])c1 1772573819 NBWATELOSQLPON-UHFFFAOYSA-N 392.780 4.499 5 1 GIBF CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(CN)ccc1c32 13781157 LXPWDZUBGNMLPP-UHFFFAOYSA-N 382.533 4.213 5 1 GIBF Cc1ccccc1C(=O)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 1857604850 ZRJVLNFSEJPDDU-UHFFFAOYSA-N 382.416 4.402 5 1 GIBF Cc1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1[N+](=O)[O-] 587077267 TYEUOCPFTZRWJW-UHFFFAOYSA-N 383.795 4.268 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115742 ZSXKDDAZDHEBOW-UHFFFAOYSA-N 387.115 4.314 5 1 GIBF CN(C)/C=C/[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511820 JGNCJVBYHZSLOF-YAOQVBECSA-N 392.455 4.410 5 1 GIBF CCCN1Cc2c(c3ccc(OC)cc3c3cc(OC)c(OC)cc23)[C@@H](O)C1 95572238 CJOHEOFVUALWSY-FQEVSTJZSA-N 381.472 4.278 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)C[C@@]1(C2)c2cccc(F)c2CCN1[C@H]1CCSC1 962691687 AQSQXRMBDGIOIF-UWJYYQICSA-N 384.476 4.092 5 1 GIBF O=[N+]([O-])c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587115963 HEYPFZLTAOYBGN-UHFFFAOYSA-N 387.115 4.314 5 1 GIBF C[C@]1(c2cc([N+](=O)[O-])ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557896 PSSZSRYFVQMXKV-WIYYLYMNSA-N 395.342 4.317 5 1 GIBF Cc1c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980047 NXMWPNQSJYWGPD-UHFFFAOYSA-N 394.156 4.046 5 1 GIBF Cc1c(-c2nc3c(F)cnc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980347 VUOSJUCTOYLLCC-UHFFFAOYSA-N 385.580 4.397 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587267040 DJMMBJSHSREKTL-ZETCQYMHSA-N 389.721 4.137 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C)cc(Br)c3[nH]2)c1 587261832 IWCQHXWBFQFIDO-UHFFFAOYSA-N 390.237 4.472 5 1 GIBF C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507805 TULUMTHVLHABGC-NRFANRHFSA-N 385.391 4.285 5 1 GIBF O=[N+]([O-])c1ccc(NC2=C(Cl)[C@]3(CCC2)NCCc2ccc(O)cc23)cc1 963339769 BSAZOFXUBADPMI-HXUWFJFHSA-N 385.851 4.388 5 1 GIBF Cc1ccc(OCCOc2ccc(Br)cc2Cl)c([N+](=O)[O-])n1 73222296 BBFSWXUPRHQKDN-UHFFFAOYSA-N 387.617 4.172 5 1 GIBF O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2ccc(Br)cc2)o1 95561445 LAWYLWAPMXCBED-UHFFFAOYSA-N 394.206 4.326 5 1 GIBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576752 PNHOSIMRMLYMQH-KNQAVFIVSA-N 391.379 4.486 5 1 GIBF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc([N+](=O)[O-])c1O)CC2=O 587462235 NXXWDOAXTKRTLK-INIZCTEOSA-N 377.780 4.318 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc([N+](=O)[O-])cc1 587872940 TTZYWXUTZFITIY-UHFFFAOYSA-N 386.408 4.241 5 1 GIBF Cc1nc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2cc1Br 587139610 LXIBCQAKBWNMIR-UHFFFAOYSA-N 385.580 4.397 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@@H]1[C@@H]3O 73296799 CMONGIHNDXAKGU-YKSBVNFPSA-N 393.483 4.420 5 1 GIBF Cc1cc(N(C)Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587137228 VACGELILISKWGB-UHFFFAOYSA-N 384.198 4.257 5 1 GIBF N[C@H](COc1cncc(-c2ccc([N+](=O)[O-])cc2)c1)Cc1c[nH]c2ccccc12 14957460 CYOROGXIMFETBK-SFHVURJKSA-N 388.427 4.087 5 1 GIBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)nn1CC(F)(F)F 587092182 NQFODRXFTUQBEQ-UHFFFAOYSA-N 380.113 4.204 5 1 GIBF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587747794 QCWVXKRZBHGFDX-BMLIUANNSA-N 379.229 4.428 5 1 GIBF O=C(c1ccccc1Cl)n1ncc2cc([N+](=O)[O-])c(Br)cc21 1857573435 GDLJQGQGXSARPU-UHFFFAOYSA-N 380.585 4.049 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1F 587018031 VLQPXKMKYRXWGX-UHFFFAOYSA-N 375.772 4.449 5 1 GIBF C[C@@H](CSc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587170537 CIWRDQXPNQLSCD-VIFPVBQESA-N 376.369 4.414 5 1 GIBF CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2cccc([N+](=O)[O-])c12 587645823 DYBUUABYVANPSG-UHFFFAOYSA-N 382.269 4.476 5 1 GIBF CN(C)CCNc1c2ccccc2nc2c1oc1ccc(OCCN(C)C)cc12 199389256 QBXLZODKDNWWQF-UHFFFAOYSA-N 392.503 4.048 5 1 GIBF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)c1 587235278 MUWLOVHLIZGSJO-UHFFFAOYSA-N 386.411 4.089 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2 587383547 YJGKPFMZWVXKJQ-GOSISDBHSA-N 394.349 4.471 5 1 GIBF C[N+]1(CCCCCOc2cc(O)c3c(=O)c4ccccc4oc3c2)CCCC1 299831658 PYQRWYOBSDTZOV-UHFFFAOYSA-O 382.480 4.441 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1[N+](=O)[O-] 586894838 FAFGKQMHRWKAOK-UHFFFAOYSA-N 390.355 4.206 5 1 GIBF COCCOc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1[N+](=O)[O-] 587265344 OZWHTWYOHKNIEM-UHFFFAOYSA-N 378.388 4.020 5 1 GIBF CCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 26295230 KINZOOIPIRMYOK-UHFFFAOYSA-N 391.383 4.140 5 1 GIBF CC1(C)C[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2O1 34660178 RPZWUSCLISWIAW-HNNXBMFYSA-N 375.425 4.323 5 1 GIBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1O)C[C@]1(C)CCCN1C3 14593902 ICWMUURIBXVTDU-QHCPKHFHSA-N 379.456 4.332 5 1 GIBF biogenic COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587743901 BYUMQQATYNGYBV-JDNHERCYSA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)ncc3[nH]2)ccc1Cl 587047186 DGIXZTYGVSKMEX-RQOWECAXSA-N 379.601 4.452 5 1 GIBF C[C@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571430 OEGMLODKQCXROV-WIYYLYMNSA-N 395.342 4.317 5 1 GIBF COC1=C[C@@H]2Cc3c(c4ccc(OC)cc4c4cc(OC)c(OC)cc34)CN2C1 95555035 REBHYHNVBBDCLC-CQSZACIVSA-N 391.467 4.289 5 1 GIBF C[C@]1(c2ncccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337136 OPFJCFPYBSCJST-RXVVDRJESA-N 394.358 4.109 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc([N+](=O)[O-])cc2)N1 587744393 FAARUPAMXJOKOV-BMLIUANNSA-N 379.229 4.294 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc([N+](=O)[O-])cc3)o1)O2 587390958 SYXHCLPFXJZCIH-FQEVSTJZSA-N 394.383 4.364 5 1 GIBF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2007208 IHVADESBZZCEJN-UHFFFAOYSA-N 376.488 4.453 5 1 GIBF Cc1nc(NCc2ccc(Cl)c(Cl)c2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821423 INUWVJZPKAEOKH-UHFFFAOYSA-N 393.234 4.106 5 1 GIBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2cc([N+](=O)[O-])ccc12 587644432 CKUIGCKCDRTWFO-UHFFFAOYSA-N 389.751 4.481 5 1 GIBF Cc1cc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2cc1[N+](=O)[O-] 587167476 NUCUZVJXHNHQKL-INIZCTEOSA-N 383.383 4.288 5 1 GIBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)n1 587274704 ZKDUPQSGTCUEEQ-UHFFFAOYSA-N 379.445 4.452 5 1 GIBF COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 59239336 VWZGVLNVDHRGPL-UHFFFAOYSA-N 380.404 4.311 5 1 GIBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(F)c2[nH]1 587053044 AASRFTUAYUZXOR-HNNXBMFYSA-N 390.802 4.391 5 1 GIBF CCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12 855806 LNDABDSJXOLGCB-JOCHJYFZSA-N 392.411 4.289 5 3 GIBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587122005 OXABPNSEVURCSM-UHFFFAOYSA-N 389.293 4.288 5 1 GIBF CCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4C(=O)OCC 28017288 YRZCISDEWRZORR-UHFFFAOYSA-N 395.415 4.407 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=[S@@]2c1ccc(-c2ccccc2)cc1 73162035 MRKWZKWCOFETNQ-VWLOTQADSA-N 384.438 4.184 5 1 GIBF O=C(O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cccc([N+](=O)[O-])c3)cc1N2 89469193 NPBSLJSNLVLPLY-UHFFFAOYSA-N 389.367 4.198 5 1 GIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cn1 587865800 JOCDJMGFBXCSTH-UHFFFAOYSA-N 378.310 4.260 5 1 GIBF CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1OC(F)F 587130016 IYQIXWLGIUANLG-XQRVVYSFSA-N 376.319 4.037 5 1 GIBF Fc1cc2c(c(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)c1)OCOC2 587170608 DNOGNFRVORMORF-UHFFFAOYSA-N 386.386 4.256 5 1 GIBF COc1ccc(N/C=C(\[C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)[N+](=O)[O-])cc1 963118189 YYWQYCVTHYQMJF-MRKXZHHHSA-N 383.423 4.126 5 1 GIBF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccccc1[N+](=O)[O-])C(F)(F)F 963270299 OJIFYNPBENLGPK-MRXNPFEDSA-N 386.757 4.208 5 1 GIBF O=c1oc2ccc(OCCCCCOc3ccccc3)cc2c(O)c1[N+](=O)[O-] 169337532 DRAIQNDVZNNCQL-UHFFFAOYSA-N 385.372 4.035 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cc1[N+](=O)[O-] 586899333 YJCLDSFFNOANGO-UHFFFAOYSA-N 376.328 4.419 5 1 GIBF COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963103813 GRWGXPMXINEJFF-KRWDZBQOSA-N 383.231 4.154 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c([N+](=O)[O-])c2)N1 587720228 ROURKBUWUJTBKQ-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF COc1cc2c(cc1OC)C(c1cccc(-c3cccc([N+](=O)[O-])c3)n1)=NCC2 1857593421 OBXZHQGPIAFTNI-UHFFFAOYSA-N 389.411 4.068 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3cncc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587264514 HFZNGYRFXDIVGI-UHFFFAOYSA-N 382.811 4.048 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O 587431796 GROJXQCDFZSQBR-KSFYIVLOSA-N 390.395 4.191 5 1 GIBF COCCOc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587266425 XGPXOYZTAZPEBW-UHFFFAOYSA-N 381.310 4.182 5 1 GIBF CCN(CC)CCCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 1772573566 WBUMVAZIOOKWGL-UHFFFAOYSA-N 390.487 4.013 5 1 GIBF C[C@@H](C(=O)OCCN1CCCCC1)c1ccc2c(=O)c3ccccc3ccc2c1 39220572 VJMMTFLVKBIWIA-GOSISDBHSA-N 389.495 4.486 5 1 GIBF O=[N+]([O-])c1cccc(-c2nnnn2-c2ccc(-c3nc4ccccc4o3)cc2)c1 1911573801 LVIMPGIYBXSJAZ-UHFFFAOYSA-N 384.355 4.046 5 1 GIBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(Br)nc3[nH]2)ccc1Cl 587048362 UGGPMJOVLWUEQM-QHHAFSJGSA-N 379.601 4.452 5 1 GIBF CN(C)/C=C/[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511329 FXEOKGAWRSQEGK-OTOIZHKDSA-N 392.455 4.410 5 1 GIBF O=C1C2=C(CCCC2)[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 141999210 GKVKEEXMNXMBOF-NRFANRHFSA-N 398.846 4.306 5 1 GIBF C/C(=C\COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1)C/C=C/C(C)(C)O 238750635 CWGFICUYZGEREO-PEMJXRNESA-N 396.439 4.400 5 1 GIBF Cc1cc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2cc1[N+](=O)[O-] 587167477 NUCUZVJXHNHQKL-MRXNPFEDSA-N 383.383 4.288 5 1 GIBF C[C@@H](C(=O)Nc1cnc2cnc(-c3cccc([N+](=O)[O-])c3)cn12)c1ccccc1 653671302 YVXNSLSTOABQHP-CQSZACIVSA-N 387.399 4.047 5 1 GIBF Nc1ccccc1NC(=O)/C=C/c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 36338676 BZRNRCHGRYJQEE-NTEUORMPSA-N 388.427 4.441 5 1 GIBF COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4cc([N+](=O)[O-])ccc34)c(=O)c2c1 587649427 UTOISJOUFZEEAW-UHFFFAOYSA-N 377.400 4.134 5 1 GIBF COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)C[C@H]1CCCN1C3 85949642 IPEYRWVHYYVFAP-CYBMUJFWSA-N 379.456 4.245 5 1 GIBF Cc1c(Br)ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 587159598 UDYHIGFKMILMJR-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccc([N+](=O)[O-])c1 587871839 DMDRFXIBVNDPEZ-UHFFFAOYSA-N 386.408 4.241 5 1 GIBF O=c1oc2ccccc2c(O)c1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1 84652659 OHDPLSDXYWFJFE-UHFFFAOYSA-N 381.369 4.274 5 1 GIBF COc1cc2c(ccc3c4c(=O)oc5cc(O)c(OC)cc5c4n(C)c23)cc1O 202840633 GHEQBGDNKAGUBO-UHFFFAOYSA-N 391.379 4.020 5 1 GIBF CCN(CC)CCCn1c2cc(=O)c3cc(OC)ccc3c-2nc2ccccc21 299858078 GDZVKQWZQDMNBH-UHFFFAOYSA-N 389.499 4.395 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc([N+](=O)[O-])c1C)[C@@H](C2)C3=O 587434337 SYEIKCFSAMYUQY-OYHNWAKOSA-N 390.395 4.191 5 1 GIBF Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587747085 LWLLAWWIQSQEOT-QFYYESIMSA-N 379.229 4.428 5 1 GIBF COc1cccc2c3c(cnc12)CCN[C@]3(Cc1ccc([N+](=O)[O-])cc1)C(F)F 963072342 YSPBIDZAHFYEKV-NRFANRHFSA-N 399.397 4.000 5 1 GIBF NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccn3)c2)cc1 1857534358 RSWYFIWMGPUDPL-UHFFFAOYSA-N 396.406 4.485 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc([N+](=O)[O-])c4)o1)[C@@H](C2)C3=O 587434245 RYDOAUGSHNZQGY-YCRPNKLZSA-N 377.352 4.352 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[N+](=O)[O-])N1 587747592 OSODWJPKEOGQOO-DYZYQPBXSA-N 379.229 4.294 5 1 GIBF Nc1ccc([N+](=O)[O-])cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988081 XYOYOFACCYJLTM-UHFFFAOYSA-N 383.363 4.309 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccc1[N+](=O)[O-] 587871874 FTDJPYXJGULBKX-UHFFFAOYSA-N 386.408 4.241 5 1 GIBF COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(Cl)cc1 34138789 BSGUYDJZUZANTL-UHFFFAOYSA-N 392.842 4.455 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1[N+](=O)[O-] 587052685 IAPVABHSDDVCGO-UHFFFAOYSA-N 383.751 4.490 5 1 GIBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587235188 GFNBKHABHAPCNJ-ZYHUDNBSSA-N 378.404 4.161 5 1 GIBF Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587745703 IFDRIJWBJVZZBV-MGPLVRAMSA-N 379.229 4.428 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c([N+](=O)[O-])c2)N1 587720230 ROURKBUWUJTBKQ-VPTHRUTESA-N 383.192 4.259 5 1 GIBF COc1cccc2c3c(cnc12)CCN[C@]31CC(C)(C)c2ccc([N+](=O)[O-])cc21 963044883 FEZUBCSYCROVJI-QHCPKHFHSA-N 389.455 4.222 5 1 GIBF O=C(Nc1ccccc1Cl)c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587060990 YIZZEMDIYFOTEB-UHFFFAOYSA-N 395.600 4.139 5 1 GIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587110015 QFMFHSAMRCOYKP-UHFFFAOYSA-N 390.243 4.495 5 1 GIBF Cc1cc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2cc1[N+](=O)[O-] 587168371 IWHMNDFNVHGEGE-UHFFFAOYSA-N 378.367 4.044 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746768 LDMWAXBELIWGIV-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2cccc([N+](=O)[O-])c2)=NO1 15937324 PTHPXKRBFVZEEA-SFHVURJKSA-N 384.779 4.338 5 3 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2F)N1 587714990 GSZASWMUEKPVDU-VPTHRUTESA-N 383.192 4.259 5 1 GIBF CCOc1cc2c3cc(OC)c(OC)cc3c[n+](C)c2c2cc(OC)c(O)cc12 101027661 JJXVPPJTGXEGBC-UHFFFAOYSA-O 394.447 4.101 5 1 GIBF C[C@@]1(c2cc3c(ccc4ccccc43)oc2=O)NCCc2nc3ccccn3c21 962985689 QUVNQPLJHKLBNS-DEOSSOPVSA-N 381.435 4.003 5 1 GIBF C[C@]1(COCc2ccc(-c3ccc(F)cc3)cc2)CCn2cc([N+](=O)[O-])nc2O1 1772617293 HFPJHTBJJCTSNF-OAQYLSRUSA-N 397.406 4.355 5 1 GIBF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(C(=O)O)cc1 653700493 KQWOUYYCKISEQT-UHFFFAOYSA-N 380.187 4.306 5 1 GIBF COC(=O)c1cc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1OC 587047482 IQPYOFLUEAPOMJ-GQCTYLIASA-N 387.779 4.090 5 1 GIBF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645004 GYPUHRTUQALUIA-UHFFFAOYSA-N 378.262 4.217 5 1 GIBF COc1cccc(CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587931048 LHCKVKPRXWQFPL-UHFFFAOYSA-N 376.210 4.027 5 1 GIBF NC(=O)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1 1857608155 DXSFBVNXXUYDAY-UHFFFAOYSA-N 396.406 4.485 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC[N+](=O)[O-])(c2ccccc2)N1 587744069 GEMRZBHTHRHTJP-SGTLLEGYSA-N 393.256 4.033 5 1 GIBF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587745152 GNCLVMSUBDHYQR-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF Cc1c(O)cc2oc3c4c(c(C)c(O)c3c(=O)c2c1[C@H](C)[C@H](C)O)[C@H](C)[C@@H](C)O4 2356800982 QJDBIQCTKLKBFF-MNUQUWEESA-N 398.455 4.343 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c([N+](=O)[O-])c1 587558445 SHTKOHXMFGBIEK-FXAWDEMLSA-N 381.315 4.142 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 587265579 QEJUFNQMPHDEGG-LURJTMIESA-N 397.725 4.484 5 1 GIBF COC(=O)c1ccc2c(c1)sc1c(=O)[nH]c3ccc(C(=N)NC(C)C)cc3c12 28470042 RKDNSNFHGGHLDY-UHFFFAOYSA-N 393.468 4.006 5 1 GIBF O=C1N[C@H](O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CC[C@@H]3O1 29322572 NGCSJSMJLVOJHP-VBURHUQHSA-N 395.418 4.458 5 1 GIBF COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc1 299837800 KZFCYCPYSSTDIK-GOSISDBHSA-N 395.418 4.160 5 1 GIBF Cc1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 587151068 PNSPGJMSCUJERF-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1F 587556118 IUKSBIVYYDEBLB-PXNSSMCTSA-N 381.315 4.142 5 1 GIBF COC(=O)c1ccc2nc3n(C)c4ccc(Cl)cc4c(NCCCN)c-3c2c1 103142080 QEGYZJQVWPOGQI-UHFFFAOYSA-N 396.878 4.032 5 1 GIBF CCOC(=O)C1=C(C)NC(c2ccc(C)cc2)=C[C@H]1c1ccccc1[N+](=O)[O-] 169348110 GRIPLABMJDOAPW-SFHVURJKSA-N 378.428 4.468 5 1 GIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc(Cl)c2[nH]1 587267665 OSKAOSHYABKISX-UHFFFAOYSA-N 398.648 4.255 5 1 GIBF C[C@@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1([N+](=O)[O-])c1ccccc12 40914210 JWCDMSLSJHQHNS-YFYMUDDPSA-N 391.452 4.157 5 1 GIBF O=C1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)Oc2c1ccc1c2CCCC1 587511725 IGSBJLNIJLUGME-SFHVURJKSA-N 391.383 4.230 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746390 JTAOPMXJCYKZHR-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1-c1nc(-[c-]2ccc(=O)c(O)c2)[nH]c1-c1ccccc1 169689267 PLWWKFYNKVAPRZ-UHFFFAOYSA-N 386.387 4.412 5 1 GIBF O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644614 HVXDWMIDKNOLRA-UHFFFAOYSA-N 386.791 4.172 5 1 GIBF O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)c([N+](=O)[O-])c2)S1 115792005 MWZCCGIJEOWUEI-WJDWOHSUSA-N 376.434 4.268 5 1 GIBF C[C@H]1CC[C@H]2C(=O)N(c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 4684070 LATQFWPCIRVICJ-IAOVAPTHSA-N 385.464 4.265 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1[N+](=O)[O-] 586980154 LMDIRPAZJDFEHR-UHFFFAOYSA-N 397.572 4.462 5 1 GIBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587197529 QDVXVOHQYSHJOE-JTQLQIEISA-N 389.253 4.451 5 1 GIBF COCCNc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587262513 VOXRAODXOLSXIZ-UHFFFAOYSA-N 396.325 4.095 5 1 GIBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587576788 PTJAZPVUMGMXQJ-NQIIRXRSSA-N 393.351 4.012 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2F)N1 587714468 GEHNHONCWDAXJP-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC[N+](=O)[O-])(c2ccccc2)N1 587743359 DLSPOGROCLWFKB-SGTLLEGYSA-N 393.256 4.033 5 1 GIBF Cc1ccc(CNc2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)o1 95577527 NHTDVYZRWQERPZ-UHFFFAOYSA-N 385.323 4.097 5 1 GIBF COc1ccc(CNc2c(-c3cc([N+](=O)[O-])ccc3O)nc3ccccn23)cc1 653717583 ZUKCRHNEWJASNQ-UHFFFAOYSA-N 390.399 4.236 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587748733 VZYGUYFHLVMXAB-HUTHGQBESA-N 395.228 4.129 5 1 GIBF Cc1cc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587201048 FJXALGBHWRBLMJ-UHFFFAOYSA-N 376.457 4.360 5 1 GIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)cc1 587272592 VUPUCEAZLXGBPC-UHFFFAOYSA-N 397.441 4.298 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587745502 HJEBVZMEBVIBOH-XYZCENFISA-N 395.228 4.129 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccc([N+](=O)[O-])cc2)N1 587750926 KMCMVSPWEWHRNZ-DYZYQPBXSA-N 395.228 4.151 5 1 GIBF COc1ccc(OC)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1OC 587927455 QWYOYDCJOBKLGM-UHFFFAOYSA-N 386.411 4.352 5 1 GIBF Cc1cc(C)cc(Cc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2C)c1 40901447 XQDMLRWWYVLJAE-UHFFFAOYSA-N 395.484 4.486 5 1 GIBF COc1cccc2c3c(cnc12)CCN[C@@]3(C)CSc1ccccc1[N+](=O)[O-] 963044771 CQYVKRVXUNWLSH-NRFANRHFSA-N 395.484 4.305 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[N+](=O)[O-])N1 587743407 AQKNQAOSTMWDON-BMLIUANNSA-N 379.229 4.294 5 1 GIBF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc([N+](=O)[O-])c2)cc1 13814340 ZUYCOHOWONUYTD-UHFFFAOYSA-N 393.487 4.262 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2F)N1 587721914 WQSZPAQEODCJHP-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2F)N1 587728837 TYEZCQCGHPTWPB-VPTHRUTESA-N 383.192 4.259 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587748736 VZYGUYFHLVMXAB-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF COc1ccc(OC)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1OC 587928221 YONLCQZYAXOGHW-UHFFFAOYSA-N 386.411 4.352 5 1 GIBF O=[N+]([O-])c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1F 586995657 MFWSEPLDBPIUEI-UHFFFAOYSA-N 379.189 4.027 5 1 GIBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1OC(F)F 587130014 IYQIXWLGIUANLG-GQCTYLIASA-N 376.319 4.037 5 1 GIBF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434685 YKVUKUNRTNQVAA-WMZHIEFXSA-N 387.391 4.295 5 1 GIBF Cc1cccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1C 587564530 VHMWRDSLNSURDI-UHFFFAOYSA-N 376.210 4.429 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2[N+](=O)[O-])N1 587732376 MYHFRFRDBMMZFR-XYZCENFISA-N 397.219 4.433 5 1 GIBF NC1=NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CSC3 28762581 PKEVFEAVPXEIMB-UHFFFAOYSA-N 382.448 4.423 5 1 GIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(CSc3nc4ccccc4s3)nn1)C2 100597423 IBNOEZXSEAOZFI-PHZGNYQRSA-N 386.570 4.122 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc([N+](=O)[O-])cc32)N1 587753293 UWMARIBLIFFXBS-YPMLDQLKSA-N 391.240 4.220 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1 587264102 BEKBQADRSNRMRK-ZETCQYMHSA-N 379.735 4.345 5 1 GIBF O=c1oc2ccccc2c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO[C@@H]21 1772606282 VNZWJYVYZUSQTA-XFQXTVEOSA-N 378.384 4.336 5 1 GIBF Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1nc(O)c1c(O)cccc12 1857590172 CHSUNMGWJYCGOA-UHFFFAOYSA-N 386.451 4.471 5 1 GIBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccccc1[N+](=O)[O-] 100018911 OSCYLUQUDCIHGJ-CQGUWYRNSA-N 388.420 4.042 5 3 GIBF investigational CC(C)OC(=O)C1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC(F)(F)C1 587131887 VXFCHEGSZFPOLR-UHFFFAOYSA-N 396.397 4.278 5 1 GIBF CCCCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc([N+](=O)[O-])cn12 26840070 ZFBHHYXNZPTIJA-UHFFFAOYSA-N 387.823 4.449 5 1 GIBF Cc1cc(Cl)ccc1OCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587066883 UBZRQATYRPMWHT-UHFFFAOYSA-N 390.783 4.353 5 1 GIBF O=C1C[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)Oc2c1ccc1c2CCCC1 587513927 VNUCZMMLMJNGST-FQEVSTJZSA-N 390.395 4.434 5 1 GIBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c(F)c2)c1 587138984 YQVSBUKZDJUNBJ-UHFFFAOYSA-N 396.309 4.177 5 1 GIBF C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572941 ANJJJGRGNFIZPZ-WIYYLYMNSA-N 377.352 4.177 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)O2 587390844 RXLDHESNQTUQNY-FQEVSTJZSA-N 381.432 4.182 5 1 GIBF O=[N+]([O-])c1sccc1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962635415 IUUCPGXDTCDGHL-WIYYLYMNSA-N 391.496 4.493 5 1 GIBF CCc1ccccc1NC(=O)c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587240747 JWUYKUCGXZKAFK-UHFFFAOYSA-N 389.209 4.048 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H](C2)C3=O 587421848 NLESDNVWLHMJCZ-XYZCENFISA-N 380.183 4.399 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](C2)C3=O 587422481 PTMNWOAJSDUSJQ-DYZYQPBXSA-N 380.183 4.399 5 1 GIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccc(F)cc2)cc1NN1CCCCC1 15936823 PFXWQOUVTDXJLR-UHFFFAOYSA-N 376.344 4.247 5 3 GIBF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1 596257 YSXSCFJSAYOFDY-UHFFFAOYSA-N 394.383 4.350 5 1 GIBF Cc1cc(N(C)Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c([N+](=O)[O-])cc1F 587136973 MRGWOKASHSYELQ-UHFFFAOYSA-N 384.198 4.257 5 1 GIBF CC(=O)Nc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587512187 VLHJXTXIKFDTPA-HXUWFJFHSA-N 380.400 4.139 5 1 GIBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] 587656734 LRTCEFNNATXCTC-UHFFFAOYSA-N 379.322 4.239 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2F)N1 587714980 GSZASWMUEKPVDU-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF O=[N+]([O-])c1ccc(SCCCN2CCN(c3ccc(F)cc3)CC2)cc1 28886818 ONQYXIFLIBSPLF-UHFFFAOYSA-N 375.469 4.038 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc([N+](=O)[O-])c2)N1 587727665 BZXKLISFVNSGNA-VPTHRUTESA-N 383.192 4.259 5 1 GIBF COc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Cl 587266856 PPAAYYHSBIMIGZ-QMMMGPOBSA-N 391.771 4.214 5 1 GIBF COc1ccc2c(c1OC)[C@@]1(CCc3ccc([N+](=O)[O-])cc3CC1)N(C)[C@@H](C)C2 962621337 JDLNDSRPMBZFAJ-WNSKOXEYSA-N 396.487 4.263 5 1 GIBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 22349399 SGEQMSVSUBTAGL-UHFFFAOYSA-N 382.338 4.302 5 1 GIBF CCOc1ccc2c(c1O)-c1c(OCC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 59587941 XWSASXJENPDDTR-INIZCTEOSA-O 384.496 4.095 5 1 GIBF biogenic,in-vitro Cc1cc(C)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 587269813 PGOJICSYMLUWMI-UHFFFAOYSA-N 378.432 4.108 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ncccc3[N+](=O)[O-])cc1)O2 587391361 WBSMBWWCZFBHJN-IBGZPJMESA-N 375.384 4.254 5 1 GIBF O=[N+]([O-])c1ccc(NN=c2c3ccccc3oc3ccccc23)c([N+](=O)[O-])c1 27522078 NZFHHASNVIQYIP-UHFFFAOYSA-N 376.328 4.330 5 1 GIBF O=[N+]([O-])c1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914578 VQMUBYXJIMQYMZ-UHFFFAOYSA-N 375.340 4.239 5 1 GIBF Cc1c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905278 IZDYNXVSLSGQGO-JTQLQIEISA-N 392.209 4.172 5 1 GIBF COc1ccc2oc(=O)c3c(oc4ccc5c(c43)CN(CC3CC3)CO5)c2c1 1772593380 GNZJLPBCSAFKTO-UHFFFAOYSA-N 377.396 4.263 5 1 GIBF C[C@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 13660346 LEDAUVNBKIUBHL-GOSISDBHSA-N 384.779 4.338 5 3 GIBF CCCC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12 29224317 STDUJMLSQBQCBD-NRFANRHFSA-N 390.439 4.458 5 1 GIBF CCc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1Br 586976705 GZOCUXWBUZZDQP-UHFFFAOYSA-N 391.181 4.371 5 1 GIBF Cn1c2ccccc2c2cc(C(=O)NCCN3CCCCC3)c3ncccc3c21 96921191 RESMSQQHQNFIFT-UHFFFAOYSA-N 386.499 4.095 5 1 GIBF CCC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)sc2ccccc2c1=O 103527118 ZNCBVFILJNCOCY-MRXNPFEDSA-N 383.425 4.376 5 1 GIBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587035693 YGZKCLOKLHQQSK-LBPRGKRZSA-N 395.444 4.352 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587746707 KHFIILJDVKUWLS-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587195345 HLMGRPYNXNJSNW-SNVBAGLBSA-N 389.253 4.451 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc([N+](=O)[O-])c2)N1 587728387 DQXLVQWTVAXHAL-VPTHRUTESA-N 383.192 4.259 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2F)N1 587726365 WSUNGMKZSXSDOB-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF CCCN(CCC)c1cc(C)nc2c(-c3ncc([N+](=O)[O-])cc3C)c(C)nn12 13583104 GYFFFGHMKGSACD-UHFFFAOYSA-N 382.468 4.251 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1F 586916144 VXUXRTPLHUJVIH-UHFFFAOYSA-N 393.330 4.379 5 1 GIBF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1[N+](=O)[O-])N(C)[C@H](C)C2 962573540 SLPQVGHYTANTJF-NSPYISDASA-N 376.840 4.231 5 1 GIBF O=[N+]([O-])c1cccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)c1 28767444 VDMGOGGMLMSBJI-UHFFFAOYSA-N 380.795 4.180 5 1 GIBF O=C(O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 29569853 VSIOBOPKCYGOGD-UHFFFAOYSA-N 383.407 4.147 5 1 GIBF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@H]2CC[C@H]1N2C 100862077 KLDDEIDULFIHBU-PLACYPQZSA-N 380.444 4.001 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1csc(-c4cccc([N+](=O)[O-])c4)n1)[C@@H](C2)C3=O 587449084 DTWMPTLAEVSRLV-LIRRHRJNSA-N 394.408 4.216 5 1 GIBF COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644659 JZDYPVLUAAGNBQ-UHFFFAOYSA-N 393.182 4.406 5 1 GIBF FC(F)(F)c1ccn(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)n1 587117358 BUQJDIIEGKKBEZ-UHFFFAOYSA-N 382.349 4.117 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H](C2)C3=O 587421167 OAMNCHREVPKPQJ-GTNSWQLSSA-N 379.290 4.111 5 1 GIBF C[C@H]1C[C@H](C)CN(C(=O)c2ccc(SCc3ccccn3)c([N+](=O)[O-])c2)C1 82149421 PFPXHLGOWJHXDW-GJZGRUSLSA-N 385.489 4.400 5 1 GIBF COc1ccc(CCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(OC)c1 587928309 CCQWJGWOQPAYHK-UHFFFAOYSA-N 375.812 4.317 5 1 GIBF O=[N+]([O-])c1ccc(-c2nnnn2-c2ccc(-c3nc4ccccc4o3)cc2)cc1 1911575975 WVTSLENCTDGTQI-UHFFFAOYSA-N 384.355 4.046 5 1 GIBF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2cccc([N+](=O)[O-])c2)=NO1 15937325 PTHPXKRBFVZEEA-GOSISDBHSA-N 384.779 4.338 5 3 GIBF O=[N+]([O-])c1nccn1CCCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 73196678 OTRZAGSXTRHYEW-UHFFFAOYSA-N 396.291 4.009 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(F)c(C)c2[nH]1 587265318 WGHDHHCFJNOZAN-LLVKDONJSA-N 387.367 4.270 5 1 GIBF C[C@@]1(c2ccncc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338498 CNTCRVCUFCHDNI-FPOVZHCZSA-N 394.358 4.109 5 1 GIBF C[C@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511834 JLSIYOQZYVKKCE-JOCHJYFZSA-N 394.427 4.226 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(Br)cc1F)O2 587380907 CPOYLKQNSYIOJU-HNNXBMFYSA-N 395.184 4.094 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(F)c2)N1 587724162 FAYIYSGQUAGFIP-VPTHRUTESA-N 383.192 4.259 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccc([N+](=O)[O-])cc2)N1 587752896 ULPYEHAMOPIZSB-MEBBXXQBSA-N 395.228 4.151 5 1 GIBF O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3ccc(Cl)cc3Cl)C2)ccc1CO 1857771241 MOEFHKZVGAMPCT-INIZCTEOSA-N 396.274 4.080 5 1 GIBF O=C1CSc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1 587044438 WXQNBMLOZWSPOA-UHFFFAOYSA-N 383.436 4.371 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cc([N+](=O)[O-])c1)O2 587375059 BLOYKWKDDIBNBN-QGZVFWFLSA-N 391.221 4.129 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(F)cc(F)c2[nH]1 587262221 GKBXXUBUYOVKLQ-VIFPVBQESA-N 391.330 4.101 5 1 GIBF C[C@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511099 DKQGKYFPOSXQGU-HXUWFJFHSA-N 382.372 4.262 5 1 GIBF COc1ccc2c(c1OC)[C@]1(CCc3ccc([N+](=O)[O-])cc3CC1)N(C)[C@H](C)C2 962621328 JDLNDSRPMBZFAJ-IQMFZBJNSA-N 396.487 4.263 5 1 GIBF Cc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980447 ZNGSWHYZMDUKRX-UHFFFAOYSA-N 377.154 4.117 5 1 GIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)cnc3[nH]2)ccc1Cl 587047819 OESSCDFZFRQQLE-DUXPYHPUSA-N 379.601 4.452 5 1 GIBF COc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261207 YQIAINJVRRQPHP-UHFFFAOYSA-N 385.273 4.313 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c([N+](=O)[O-])cccc12 587575708 KPGLMAWNFHSDBZ-SIKLNZKXSA-N 389.363 4.104 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2[N+](=O)[O-])N1 587726012 HISWUZCKIDISSI-HUTHGQBESA-N 397.219 4.433 5 1 GIBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587377785 JUWNAECOYJFCNS-SFHVURJKSA-N 376.796 4.028 5 1 GIBF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587431918 IELKTIIYCFAIDN-CVDCTZTESA-N 385.375 4.275 5 1 GIBF C/C(=C/Cc1c2c(c(O)c3c(=O)c4cccc(O)c4oc13)C=CC(C)(C)O2)CO 238733499 VTISVOAUOJUVQW-GHXNOFRVSA-N 394.423 4.023 5 1 GIBF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587247935 YSEUQVREPGYNIS-UHFFFAOYSA-N 375.388 4.281 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1[N+](=O)[O-] 587569322 HPKIZYVNWDBCTL-XLIONFOSSA-N 381.315 4.142 5 1 GIBF CCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)sc2ccccc2c1=O 103527114 ZNCBVFILJNCOCY-INIZCTEOSA-N 383.425 4.376 5 1 GIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587270104 KMBMOKFIXNQNHQ-SFHVURJKSA-N 388.427 4.293 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4[N+](=O)[O-])o1)[C@@H](C2)C3=O 587434496 WJNZJFUWYQURJQ-LHSJRXKWSA-N 377.352 4.352 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(F)c2)N1 587725517 QRVICCOQSIHELO-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)C[C@H]1CCCN1C3 85949692 BPEHLHZOKBXEFR-CYBMUJFWSA-N 379.456 4.245 5 1 GIBF COC(=O)c1ccnc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc12 587271340 ASQUTFZDTLMCPB-UHFFFAOYSA-N 390.355 4.112 5 1 GIBF COc1ccc2c(c1OC)[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962642551 ZBRSGANPFHTRGE-YUNKPMOVSA-N 390.867 4.405 5 1 GIBF CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c(=S)n2c1nc1ccccc12 1862319 VSKJSKQPIVUALL-UHFFFAOYSA-N 394.412 4.093 5 1 GIBF O=C1CS[C@@H](c2cccc(Br)c2)N1c1cccc([N+](=O)[O-])c1 169342624 MMEMVQKVSOKUSQ-HNNXBMFYSA-N 379.235 4.136 5 1 GIBF O=[N+]([O-])c1cncc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587067768 OKLDZIQKWOCBNQ-UHFFFAOYSA-N 380.791 4.346 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc([N+](=O)[O-])c2)N1 587727662 BZXKLISFVNSGNA-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587167489 OIGTZEDXQFNTBS-OAHLLOKOSA-N 387.346 4.118 5 1 GIBF O=[N+]([O-])c1ccc(-c2cnnc(N3CC[C@H](c4cccc(Cl)c4)C3)n2)cc1 103226918 NPMZJDXCDOEXBK-HNNXBMFYSA-N 381.823 4.094 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587421352 PMOYXVPRENTQME-YVEFUNNKSA-N 379.290 4.111 5 1 GIBF O=[N+]([O-])c1cnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 587121928 HOAPFXBYTCAMGJ-UHFFFAOYSA-N 384.339 4.198 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)c(F)cc3[nH]2)c1 587262074 MJSQKSSCVYWYIH-UHFFFAOYSA-N 394.200 4.303 5 1 GIBF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587748123 SMCLRKDLICVUEW-BMLIUANNSA-N 379.229 4.428 5 1 GIBF CNCCNC(=O)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12 73129516 XNWQQTSYVCQLQJ-UHFFFAOYSA-N 396.288 4.186 5 1 GIBF C[N+](C)(C)c1ccc(C(=O)OCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 26995643 GTZGWCLNUTYDDT-UHFFFAOYSA-N 396.467 4.383 5 1 GIBF O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)c(F)c3[nH]2)cc1F 587148429 HGBFRKMSICNZCX-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2 587383548 YJGKPFMZWVXKJQ-SFHVURJKSA-N 394.349 4.471 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)cc([N+](=O)[O-])c1OC)CC2=O 587465124 AMYCKPQXWRSKDX-HXUWFJFHSA-N 389.379 4.281 5 1 GIBF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587511274 OMJRAVOSYZJYKV-OAQYLSRUSA-N 383.400 4.068 5 1 GIBF CCn1c(SCc2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857612778 NQFNGHQQYJNZBA-UHFFFAOYSA-N 385.405 4.074 5 1 GIBF O=C1C[C@@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)Oc2c1ccc1c2CCCC1 587514460 YRFOZPZITXFZKT-FQEVSTJZSA-N 393.399 4.018 5 1 GIBF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587745151 GNCLVMSUBDHYQR-HUTHGQBESA-N 395.228 4.129 5 1 GIBF CCCCCCOc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OC 13741640 PGCLYHQIJZXEJG-UHFFFAOYSA-N 396.548 4.306 5 1 GIBF Cc1cccc(C)c1-c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 45254225 SZFXGSRTMLATGD-SFHVURJKSA-N 379.416 4.053 5 1 GIBF COc1ccc(-n2ncc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)c2C)cc1 587279991 XNMVXNCSIRMHNG-UHFFFAOYSA-N 377.356 4.075 5 1 GIBF O=[N+]([O-])c1ccc2c(O)c(-c3ccc(I)cc3)[nH]c2c1 587646042 RNKZHVQHOHYTGR-UHFFFAOYSA-N 380.141 4.053 5 1 GIBF COc1ccc(CC[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC 36184623 SQSZSUOOPJUPDH-LJQANCHMSA-N 386.512 4.027 5 1 GIBF O=[N+]([O-])c1cc2nc(CCCCCCCCCCCO)[nH]c2cc1[N+](=O)[O-] 586894915 YJVRTYHOFZDVGY-UHFFFAOYSA-N 378.429 4.425 5 1 GIBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)cc1Cl 587645191 YQXGMIPADVFTBA-UHFFFAOYSA-N 393.182 4.401 5 1 GIBF COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@@H](C)N(Cc1ccc([N+](=O)[O-])cc1)CC3 1620063 FGHOGSVXOHWIFY-GFCCVEGCSA-N 396.403 4.112 5 1 GIBF Cc1cccc(C)c1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C 14948536 XQGVPPMHXIAEPH-IIUCQXFBSA-N 381.476 4.296 5 1 GIBF COc1cc2cc([C@@H]3CC[N@+](C)(Cc4ccccc4)C[C@@H]3O)sc2cc1OC 261099922 GCIVIYYHFXJQEK-YDIMBITNSA-N 398.548 4.414 5 1 GIBF Cc1cc(C)cc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)([O-])[C@@H]2N3C)c1 261192046 ZOEYZOHSNFBLBQ-UWDQQESISA-N 381.476 4.296 5 1 GIBF O=[N+]([O-])c1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)ccc1Cl 587048802 YQSXRESFQPVBQU-DUXPYHPUSA-N 379.601 4.452 5 1 GIBF Cc1cc(Br)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F 587137983 VDAUIKDYVICGGQ-UHFFFAOYSA-N 395.144 4.256 5 1 GIBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)nn2)c1 587268920 DQEQXIDOUAZOEA-UHFFFAOYSA-N 375.175 4.026 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575667 KDWKAYHOATXADF-DENIHFKCSA-N 391.379 4.486 5 1 GIBF Cc1c(Cc2ccc(F)cc2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 13677585 OWBTYWVBMMDNIX-UHFFFAOYSA-N 385.420 4.009 5 1 GIBF COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccc([N+](=O)[O-])cc14)(C1CC1)[C@@H](C2)C3=O 587434792 ZRXQRDVFNKUAOI-AOMKIAJQSA-N 390.395 4.138 5 1 GIBF CC(=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4oc13)C=CC(C)(C)O2)CO 2356751348 VTISVOAUOJUVQW-UHFFFAOYSA-N 394.423 4.023 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc([N+](=O)[O-])cc12 587578247 VOJTXPKCTLWEBE-KNQAVFIVSA-N 389.363 4.104 5 1 GIBF COC(=O)c1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cn1 587273028 YZASRYZPANSIRQ-UHFFFAOYSA-N 390.355 4.112 5 1 GIBF O=[N+]([O-])c1cn(C[C@H](OCc2ccc(F)cc2)c2ccc(F)cc2F)cn1 66078754 JKCSIESBXVQIBA-KRWDZBQOSA-N 377.322 4.167 5 1 GIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(F)cc3)cc1)C2 72123337 GWDPTHLUGMWKFZ-IBGZPJMESA-N 397.406 4.008 5 1 GIBF O=[N+]([O-])c1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 587265940 YIUVHDRGOZYXMW-UHFFFAOYSA-N 384.245 4.128 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3cccc([N+](=O)[O-])c3C2)N1 587751413 MFXKJDLPFJAWAE-XTZNXHDOSA-N 391.240 4.025 5 1 GIBF O=C1c2c(c3c4ccccc4[nH]c3c3ccccc23)C(=O)N1CCc1cnc[nH]1 13679835 YTRDDWBIOHPYHC-UHFFFAOYSA-N 380.407 4.036 5 1 GIBF CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163417 ZHQRDCDLRIMWFY-UHFFFAOYSA-N 397.435 4.244 5 1 GIBF CSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)CC(C)(C)CC1=N2 104038764 NJACUELHZVHQJR-HNNXBMFYSA-N 385.449 4.216 5 1 GIBF O=c1c2cc(Cc3cccnc3)c3ccccc3c2ncn1[C@H]1CCCC[C@@H]1O 138528613 IVNYEJDNHRUBRM-VXKWHMMOSA-N 385.467 4.012 5 1 GIBF COc1ccc2c(c1OC)[C@](Cc1ccccc1[N+](=O)[O-])(C1CC1)N(C)[C@@H](C)C2 962618280 CBEQSEFVHCLNTD-WNSKOXEYSA-N 396.487 4.336 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2F)N1 587715407 HOYHBKAJSXKBIE-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF COc1ccc2c(CNCCCCCC(=O)O)cc3cc4c(cc3c2c1)OCO4 28706172 ADUHYGZFLLDNHB-UHFFFAOYSA-N 395.455 4.465 5 1 GIBF O=[n+]1c2cc(Br)ccc2n(O)c2ccc(OCc3ccccc3)cc21 377829952 WWDFQCMWLBFDOJ-UHFFFAOYSA-N 398.236 4.288 5 1 GIBF O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c([N+](=O)[O-])c1 587263698 CGYMBPPVDDJMJT-UHFFFAOYSA-N 384.245 4.128 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587421366 PNWSWUNMXWMJJG-GUYCJALGSA-N 379.290 4.111 5 1 GIBF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747786 QCCDHGGJWKBINX-HUTHGQBESA-N 395.228 4.129 5 1 GIBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1nc(NC3CC3)ncc12 66100041 KVKKJGWFBRGFNN-UHFFFAOYSA-N 389.390 4.333 5 1 GIBF O=[N+]([O-])c1cccc([C@@H]2c3sc4ccc(Cl)cc4c3N=C3NN=CN32)c1 1857599998 ROEYRWQIYVZPQA-OAHLLOKOSA-N 383.820 4.402 5 1 GIBF COc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)c([N+](=O)[O-])c1 587389592 LTCMRRNWTVFXJC-HXUWFJFHSA-N 394.383 4.461 5 1 GIBF O=C(O)Cc1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12 587643650 IEAFGELIZUYFAF-UHFFFAOYSA-N 375.178 4.133 5 1 GIBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586915506 DSYNDUJJXUZMCY-HXPMCKFVSA-N 385.807 4.341 5 1 GIBF Cn1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587112006 JHVSAEMGEKFSCS-UHFFFAOYSA-N 389.131 4.258 5 1 GIBF COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510480 KXPAPXMVOTTZLG-IBGZPJMESA-N 383.400 4.197 5 1 GIBF CCc1c2c(OC)c(OC)ccc2c2ccc3c4c(cc5c3c2[n+]1CC5)OCO4 1857550005 BKPUASIKPZVPFK-UHFFFAOYSA-N 388.443 4.298 5 1 GIBF O=C(O)Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Oc1ccc(Cl)cc1Cl 28766956 VOQFQAWPCGWVGN-UHFFFAOYSA-N 387.131 4.229 5 1 GIBF CC(NC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 68573365 GEQWOEBIPALEHX-UHFFFAOYSA-N 379.644 4.253 5 1 GIBF biogenic Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747709 PSLOPXVAXSXXQM-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF O=[N+]([O-])c1ccc([C@H](c2ccn(-c3ccc([N+](=O)[O-])cc3)c2)n2ccnc2)cc1 1857553040 MQCLDMJATYRINL-HXUWFJFHSA-N 389.371 4.128 5 1 GIBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587160249 OBHYMEKBDVAUJF-UHFFFAOYSA-N 376.216 4.326 5 1 GIBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2c(C(=O)O)cccc12 587636699 DNKXRSPIESDQLZ-UHFFFAOYSA-N 391.177 4.218 5 1 GIBF Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 19856847 BOQWUPHUSDEKCJ-UAFMIMERSA-N 383.448 4.006 5 1 GIBF NS(=O)(=O)c1cc2nc(-c3ccccc3Cl)n3c4ccccc4oc(c1)c23 95587386 CADDAURVTUSCQQ-UHFFFAOYSA-N 397.843 4.202 5 1 GIBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC(C)C)[C@H]1c1ccccc1[N+](=O)[O-] 100370790 GFWNJMPBCYKROJ-ONZPZFSWSA-N 388.420 4.042 5 1 GIBF CC(C)Oc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587266199 XAFAVBZJNRNBLC-NSHDSACASA-N 385.380 4.340 5 1 GIBF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1 587019161 IZJIOZWKPCXNOV-UHFFFAOYSA-N 393.400 4.005 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(F)c1 587552979 DIIWSGGQERQXRE-YLJYHZDGSA-N 381.315 4.142 5 1 GIBF O=[N+]([O-])c1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)ccc1Cl 587047499 JCKQQSKGZJXLRK-DUXPYHPUSA-N 379.601 4.452 5 1 GIBF O=C(/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccc(F)cc1 587166548 DKGOXOVRFGOPLF-MDZDMXLPSA-N 383.386 4.450 5 1 GIBF Cc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cccc1[N+](=O)[O-] 587260794 FOUOEWBXDHAUMJ-UHFFFAOYSA-N 377.154 4.117 5 1 GIBF O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccccc1 587216939 AABHFROAMKLWMV-LJQANCHMSA-N 390.374 4.130 5 1 GIBF COC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 587243548 NZHXSJLICFNXHV-UHFFFAOYSA-N 391.181 4.079 5 1 GIBF O=[N+]([O-])c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183492 CYCNILFYLLAPGL-QPJJXVBHSA-N 391.168 4.246 5 1 GIBF COc1cc(Br)ccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587278859 ACZOJNLQTVCVKP-UHFFFAOYSA-N 376.162 4.343 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc([N+](=O)[O-])c2F)N1 587726963 MZBARVQKIUCXLN-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc([N+](=O)[O-])cc1 53243653 ORDPHVUTWZTFSU-HNNXBMFYSA-N 395.271 4.296 5 1 GIBF C[n+]1c(-c2ccccc2)cc2/c(=C\c3ccc([N+](=O)[O-])cc3)c3ccccc3n21 84459897 WBXVUIPSHWHTOW-QNGOZBTKSA-N 380.427 4.040 5 1 GIBF C[N+]1(C)[C@H]2C[C@H](O[C@@H]3c4ccccc4CSc4ccccc43)C[C@@H]1[C@H]1O[C@@H]21 103231409 VMIKXEZBKRRAJD-MCSKEMFYSA-N 380.533 4.155 5 1 GIBF in-man CN1CCN(c2nc3ccccc3c3c(=O)c4ccc(Cl)cc4sc23)CC1 473172491 XCBMJNJIBGEJFC-UHFFFAOYSA-N 395.915 4.368 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(Br)cc1F)O2 587380917 CPOYLKQNSYIOJU-OAHLLOKOSA-N 395.184 4.094 5 1 GIBF O=[N+]([O-])c1cccnc1NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587268676 IYBMIODMEJCGBQ-UHFFFAOYSA-N 387.705 4.030 5 1 GIBF COc1cc2c3c(c1)O[C@](c1c[nH]c4ccc([N+](=O)[O-])cc14)(C1CC1)[C@@H](C2)C3=O 587434793 ZRXQRDVFNKUAOI-KSFYIVLOSA-N 390.395 4.138 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc([N+](=O)[O-])cc1Cl 587871332 TYEYICHIHPMMQU-UHFFFAOYSA-N 389.770 4.338 5 1 GIBF O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1F 1857620166 AWHDAOUIJZITDR-PKNBQFBNSA-N 377.331 4.196 5 1 GIBF Cc1ccccc1NC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 1857766940 ZLKCHABVHFLMMY-JOCHJYFZSA-N 389.455 4.415 5 1 GIBF O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1 28821384 BAYSOSKDAJWQFJ-UHFFFAOYSA-N 389.455 4.142 5 1 GIBF in-vivo CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174140 JDDFOZTXVJUOGK-UHFFFAOYSA-N 399.476 4.186 5 1 GIBF O=[N+]([O-])c1ccc(OCCCOc2ccc(-n3cccc3)cc2)c([N+](=O)[O-])c1 473115335 RZYCFJLASNENKT-UHFFFAOYSA-N 383.360 4.142 5 1 GIBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587274177 NTUQCZDCOAZREX-CQSZACIVSA-N 377.404 4.050 5 1 GIBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336064 NCTUXIFRBVGVDG-YIILKADPSA-N 387.407 4.484 5 1 GIBF CN1CCc2c(Br)cccc2[C@@H]1c1c(F)ccc([N+](=O)[O-])c1F 963289285 LNNRRLNOBKHSCG-MRXNPFEDSA-N 383.192 4.213 5 1 GIBF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587431929 IELKTIIYCFAIDN-WMZHIEFXSA-N 385.375 4.275 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c([N+](=O)[O-])c2)N1 587720231 ROURKBUWUJTBKQ-ZKANADHPSA-N 383.192 4.259 5 1 GIBF C[C@]1(c2ccncc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338502 CNTCRVCUFCHDNI-PZJWPPBQSA-N 394.358 4.109 5 1 GIBF COC(=O)c1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12 587644167 OPVQVRXEVKZTRF-UHFFFAOYSA-N 375.178 4.292 5 1 GIBF COc1cc(-c2ccc3c(c2)Nc2ccc([N+](=O)[O-])cc2NC3=O)ccc1O 38495812 MDJCUXFFMNEBHG-UHFFFAOYSA-N 377.356 4.285 5 1 GIBF c1c2c(cc3c1c1c(c4cc5c(cc43)OCCO5)CN3CCC[C@@H]3C1)OCCO2 73295268 LCQXBJBYAFGUBG-CQSZACIVSA-N 389.451 4.056 5 1 GIBF CCOC(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587108948 DFPZIZQEOGVDPV-UHFFFAOYSA-N 393.321 4.257 5 1 GIBF CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(cccc3n1)CC2 587211152 MESVWGWMNYSIIO-QGZVFWFLSA-N 391.383 4.065 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587433082 NGVFIRDYZCWQOH-AOMKIAJQSA-N 394.427 4.082 5 1 GIBF O=C1C[C@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)Oc2c1ccc1c2CCCC1 587514461 YRFOZPZITXFZKT-HXUWFJFHSA-N 393.399 4.018 5 1 GIBF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587743550 AWSWOXJKVBSZEU-XYZCENFISA-N 395.228 4.129 5 1 GIBF O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1cccc2ccccc12 28821359 NSZJRBDMEAXVFF-UHFFFAOYSA-N 389.455 4.142 5 1 GIBF Cc1c2cc(OCCN(C)C)ccc2nc2c1c1ccccc1n2CCN(C)C 84688600 NJAGDFBMPZRKOJ-UHFFFAOYSA-N 390.531 4.153 5 1 GIBF C[n+]1c(/C=C/c2cc([N+](=O)[O-])ccc2O)cc(N2CCCCC2)c2ccccc21 299844728 WECCJHCEQYFJIM-UHFFFAOYSA-O 390.463 4.439 5 1 GIBF Cc1cc(Br)cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587264659 PECCLJWWEHZLEW-UHFFFAOYSA-N 391.181 4.041 5 1 GIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1O)CC2=O 587462236 NXXWDOAXTKRTLK-MRXNPFEDSA-N 377.780 4.318 5 1 GIBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(COc3ccccc3C3CCCC3)nn1)C2 100597435 DRNDBVNYXSIPQB-MZADTFQBSA-N 381.544 4.457 5 1 GIBF Fc1cc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc23)ccc1Cl 199791373 FAOUTLGAKBJSDP-UHFFFAOYSA-N 391.797 4.499 5 1 GIBF COc1cccc(-c2nc(Nc3ccc(O)c([N+](=O)[O-])c3)c3cccnc3n2)c1 1772645000 UPRWMHYZHYPOPM-UHFFFAOYSA-N 389.371 4.058 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1[C@H]3O 13513646 LAWAARLALKUFQQ-WMZHIEFXSA-N 379.456 4.030 5 1 GIBF biogenic COc1cc2c(=O)oc3c4c(ccc3c2c2cccc(O)c12)C[C@@H](C)N[C@@H]4C 31852149 JXIICUPAPXXMPH-VXGBXAGGSA-N 375.424 4.409 5 1 GIBF biogenic,in-vitro COc1cccc(F)c1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73157216 DSIUXAXVFGLHPR-UHFFFAOYSA-N 386.390 4.459 5 1 GIBF C[C@@]1(c2cc([N+](=O)[O-])ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557894 PSSZSRYFVQMXKV-RXVVDRJESA-N 395.342 4.317 5 1 GIBF CC1(C)C[C@@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2O1 34660180 RPZWUSCLISWIAW-OAHLLOKOSA-N 375.425 4.323 5 1 GIBF CCOC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccc(OCC)cc13)OCO2 238750688 URCZXZOZRHYZAS-UHFFFAOYSA-N 383.356 4.205 5 1 GIBF Cc1ccc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2[N+](=O)[O-])cc1 299824845 HZTLOCCOSIXVOM-UHFFFAOYSA-N 382.347 4.057 5 1 GIBF CC1=CC(C)=[N+]2[C@@H]1[C@@H](c1ccc([N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 1857769527 NLJLGVMJANUWRJ-RTWAWAEBSA-N 384.303 4.472 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@@H](O)[C@H]1CCC[N@+]1([O-])C3 253666481 LDYKNAJDTNPEPC-YGOYIFOWSA-N 395.455 4.043 5 1 GIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(F)c1[N+](=O)[O-] 587867751 DIPAAVZNXMYNBD-UHFFFAOYSA-N 382.273 4.009 5 1 GIBF O=C(c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 82148735 ZVJOSBDQMFCYOE-UHFFFAOYSA-N 395.463 4.032 5 1 GIBF O=C1CS[C@H](c2cccc(Br)c2)N1c1cccc([N+](=O)[O-])c1 169342625 MMEMVQKVSOKUSQ-OAHLLOKOSA-N 379.235 4.136 5 1 GIBF CCCC[N@@+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253665444 CHAIWVMLWNJULV-CPJSRVTESA-N 396.507 4.403 5 1 GIBF COc1cc2ccc3c4cc(OC)c(OC)cc4c(OC)[n+](C)c3c2cc1OC 40379966 FCAREDMXDIVTQG-UHFFFAOYSA-N 394.447 4.014 5 1 GIBF CCCc1c(O)ccc2c1O[C@H](c1ccc3c([N+](=O)[O-])ccc(O)c3n1)CC2=O 587471803 VICMZBAGRDZRGB-IBGZPJMESA-N 394.383 4.213 5 1 GIBF C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577688 UFPXFEALOVNOTF-GHTZIAJQSA-N 377.352 4.177 5 1 GIBF COc1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587511276 OOIHNBXALVBHST-JOCHJYFZSA-N 381.428 4.449 5 1 GIBF COc1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587511280 OOIHNBXALVBHST-QFIPXVFZSA-N 381.428 4.449 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc([N+](=O)[O-])c2F)N1 587725001 AZYBLPGSAYYIBX-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF C[C@H](C(=O)OCCN1CCCCC1)c1ccc2c(=O)c3ccccc3ccc2c1 39220571 VJMMTFLVKBIWIA-SFHVURJKSA-N 389.495 4.486 5 1 GIBF O=C1NC(=O)/C(=C/c2ccc(Oc3cccc([N+](=O)[O-])c3)c(Cl)c2)S1 96282290 QVDFHPGXVODEKD-AUWJEWJLSA-N 376.777 4.364 5 1 GIBF Cc1cccc(C)c1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@+](C)([O-])[C@@H]1N2C 261186696 XQGVPPMHXIAEPH-XTJBDQBJSA-N 381.476 4.296 5 1 GIBF O=C(O)CCC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644797 OGCYCRUTWYZHFY-UHFFFAOYSA-N 386.791 4.373 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1C)O2 587389219 JZKCSHNWMSLAGO-FQEVSTJZSA-N 377.400 4.291 5 1 GIBF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587747797 QCWVXKRZBHGFDX-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)C[C@@]1(C2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962691686 AQSQXRMBDGIOIF-UTKZUKDTSA-N 384.476 4.092 5 1 GIBF O=[N+]([O-])c1cncc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587001049 KPTQWGZPOSVVNH-UHFFFAOYSA-N 399.204 4.361 5 1 GIBF COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510662 BXYJLDKVNYAZKD-QFIPXVFZSA-N 379.412 4.289 5 1 GIBF CCN(CC)CCCn1[nH]c2c3cc(OC)ccc3nc3c([N+](=O)[O-])ccc1c32 27096468 XSDWOMDGOHYUTB-UHFFFAOYSA-N 395.463 4.320 5 1 GIBF COc1ccc2c(CN3CCC(C(=O)O)CC3)cc3cc4c(cc3c2c1)OCO4 28706184 BXDITWFRCRAMCI-UHFFFAOYSA-N 393.439 4.027 5 1 GIBF Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587747087 LWLLAWWIQSQEOT-QLJPJBMISA-N 379.229 4.428 5 1 GIBF Sc1nnc(SCc2nc3c4cccnc4c4ncccc4c3[nH]2)s1 587024880 GIKSOHALZDKWNX-UHFFFAOYSA-N 382.499 4.092 5 1 GIBF COc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1OC 587109783 NNKPIOCASRPEKJ-UHFFFAOYSA-N 381.310 4.098 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3c(C)cnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587265718 SHBVMRBNKBTGGC-UHFFFAOYSA-N 396.838 4.357 5 1 GIBF C[C@@H](O)CN(C)c1nc2cc(-c3ccc(Cl)cc3)nnc2c2ccccc12 28759011 PEHAZBWTEAIAAV-CYBMUJFWSA-N 378.863 4.315 5 1 GIBF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587511477 QDFQNRWFLQDZFY-SFHVURJKSA-N 383.400 4.284 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(F)cc(Br)c3[nH]2)c1 587261641 DWAZBFJFBZURDL-UHFFFAOYSA-N 394.200 4.303 5 1 GIBF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc([N+](=O)[O-])c1Cl)CC2=O 587463128 UJITYQHAKAJJRS-OAHLLOKOSA-N 377.780 4.318 5 1 GIBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575681 KFIOQGKYZSCXNU-UGKGYDQZSA-N 391.379 4.486 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2[N+](=O)[O-])N1 587731288 YXIRCQDFWCFCIC-HUTHGQBESA-N 397.219 4.433 5 1 GIBF Cc1cc2[nH]c(CCNc3ccc(Br)cc3)nc2cc1[N+](=O)[O-] 586995983 MPYRBWMCQKKVSH-UHFFFAOYSA-N 375.226 4.197 5 1 GIBF Cc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1C 587268825 BLCMATBJZWBQKH-UHFFFAOYSA-N 378.432 4.108 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472297 FUNYJJLLSSYTCI-OTDUKCBNSA-N 396.443 4.189 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576096 MIDVKMBCUSSCFS-GHTZIAJQSA-N 393.351 4.012 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2[N+](=O)[O-])N1 587732370 MYHFRFRDBMMZFR-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF COc1cc(C2=CCCCc3c2ccc(OC)c3[N+](=O)[O-])cc(OC)c1OC 169326606 DEOAEYOWTCLOJS-UHFFFAOYSA-N 385.416 4.397 5 1 GIBF COC(=O)c1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cn1 587272133 NXXHSBSPUJLMQB-UHFFFAOYSA-N 390.355 4.112 5 1 GIBF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587059569 SQHYJYDZCAMXMW-NSHDSACASA-N 395.644 4.130 5 1 GIBF O=C(Cc1ccc(Cl)cc1)c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587072257 PTEBWMKSDIOESV-UHFFFAOYSA-N 394.612 4.312 5 1 GIBF O=[N+]([O-])c1ccc2c(CN3CCOCC3)c(-c3cc4ccccc4o3)[nH]c2c1 587648447 DVKKPEPQVNEVNU-UHFFFAOYSA-N 377.400 4.322 5 1 GIBF Cc1cc(COc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 169346029 UOJHFEDSSYTFFJ-UHFFFAOYSA-N 389.415 4.162 5 1 GIBF O=[N+]([O-])c1cc(-n2c(O)c3c(c2O)CC=CC3)ccc1NCCc1ccccc1 169691208 YZSMGOGYTUWUDI-UHFFFAOYSA-N 391.427 4.106 5 1 GIBF COc1ccc2c3c(c4ccc(OC)c(OC)c4c2c1)C[N+]1([O-])CCC[C@H]1[C@H]3O 238764450 MCWMDJLOOKYNGT-OAFZIFGRSA-N 395.455 4.043 5 1 GIBF O=C(/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccc(F)cc1 587166679 GBIWNHZGRCSNBL-MDZDMXLPSA-N 383.386 4.450 5 1 GIBF O=C(c1c(-c2ccc3c(c2)OCCO3)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587644675 AEXHFCDESLCWFZ-UHFFFAOYSA-N 392.289 4.259 5 1 GIBF COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OC)cc3c2cc1OC 1580045 MLLHUSYLRTXCCA-UHFFFAOYSA-N 394.447 4.014 5 1 GIBF O=[N+]([O-])c1cn2c(n1)SC[C@@H](OCc1ccc(OCc3ccccc3)cc1)C2 40934140 JSJDPPOQULNBLA-SFHVURJKSA-N 397.456 4.061 5 1 GIBF O=C(c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 82149331 OKIWWRTVGYWURB-UHFFFAOYSA-N 395.463 4.032 5 1 GIBF COc1cc(OC)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1 587269887 IIYXCRMMHBEVFV-UHFFFAOYSA-N 376.372 4.217 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4[N+](=O)[O-])o1)[C@@H](C2)C3=O 587434497 WJNZJFUWYQURJQ-QKKBWIMNSA-N 377.352 4.352 5 1 GIBF COc1cc(C)ccc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587564154 LDVDPFPBIFSJGR-UHFFFAOYSA-N 392.209 4.130 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2[N+](=O)[O-])N1 587735547 XQHHYXBIKQRUGF-HUTHGQBESA-N 397.219 4.433 5 1 GIBF O=C(NCCNc1ccnc2cc(Cl)ccc12)Nc1ccc([N+](=O)[O-])cc1 58591491 ZHRICLUCOXRHHO-UHFFFAOYSA-N 385.811 4.030 5 1 GIBF COc1cccc2cc(-c3ccc4c(=O)oc5ccc(C)cc5c4n3)c(=O)oc12 103197456 CGZIATLZUGOURN-UHFFFAOYSA-N 385.375 4.432 5 1 GIBF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586964314 XPOOIGMUWYFGBS-LBPRGKRZSA-N 379.829 4.172 5 1 GIBF Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513469 UCIXGOUGFRILGI-MRXNPFEDSA-N 383.448 4.211 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1[N+](=O)[O-] 587569318 HPKIZYVNWDBCTL-FXAWDEMLSA-N 381.315 4.142 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1F 587570353 WFXYWRFCOUNRCV-OXQOHEQNSA-N 381.315 4.142 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746337 JPADZNLRFRTZKS-HUTHGQBESA-N 395.228 4.129 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc([N+](=O)[O-])cc32)N1 587753290 UWMARIBLIFFXBS-MLCYQJTMSA-N 391.240 4.220 5 1 GIBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccncc1[N+](=O)[O-] 587865498 AGIOZSKQYBEKIW-UHFFFAOYSA-N 378.310 4.260 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577662 UCDXSRIJIHIHJQ-NQIIRXRSSA-N 393.351 4.012 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc([N+](=O)[O-])cc32)N1 587752001 PLRGBBDYHGXYJO-XTZNXHDOSA-N 391.240 4.220 5 1 GIBF Cc1cc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1[N+](=O)[O-] 587875483 PAUCUXZDFLEBBT-LLVKDONJSA-N 383.335 4.119 5 1 GIBF CN(C)c1cccc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 1857633523 VWASOEVNKHGWLH-UHFFFAOYSA-N 385.427 4.437 5 1 GIBF CN(C)c1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 66099273 SQFSPBSCXLZITB-UHFFFAOYSA-N 393.834 4.339 5 1 GIBF COc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1OC 586979746 KGNNDHQUTXWFHW-UHFFFAOYSA-N 392.209 4.226 5 1 GIBF O=C(NCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cc2c(s1)CCC2 587034253 GDVJHVJBAAVFBC-UHFFFAOYSA-N 399.479 4.140 5 1 GIBF Cc1cc(N(C)Cc2nc3ccc(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587136873 KLNAFGWJJWFUQY-UHFFFAOYSA-N 393.216 4.318 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(F)c(Br)c3[nH]2)c1 587262034 LREHRQXVSOZJLD-UHFFFAOYSA-N 394.200 4.303 5 1 GIBF CCc1cc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Cl 587052709 JCZXHNQUWMCWQF-UHFFFAOYSA-N 376.756 4.174 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2[N+](=O)[O-])N1 587727911 CLARWBFNKNSJLT-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF NC(=S)N1N=C(c2cccc3ccccc23)C[C@@H]1c1ccc([N+](=O)[O-])cc1 103215857 CWEFFQHQIXTROA-LJQANCHMSA-N 376.441 4.143 5 1 GIBF COc1ccc(-c2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)cc1OC 587928489 GWDHWFACBBOBCP-UHFFFAOYSA-N 376.372 4.217 5 1 GIBF CC1=Nc2ncnn2[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC1CCCCC1 103938464 FHTZJPVEHIAUSG-GROYHEBESA-N 383.408 4.001 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587269861 RZIVZUIHDMTARI-UHFFFAOYSA-N 388.330 4.060 5 1 GIBF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587573475 CDWLMSFCJGMWGR-RXVVDRJESA-N 377.352 4.312 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc([N+](=O)[O-])c2)N1 587747392 NNGYREVLNOMJPZ-BMLIUANNSA-N 379.229 4.294 5 1 GIBF CCOc1ccc(C(=O)CN2[CH]C=CC(Cc3ccccc3)=C2)cc1[N+](=O)[O-] 2356835775 AACJUHTVPIDBIB-UHFFFAOYSA-N 377.420 4.336 5 1 GIBF O=C(O)c1cccc2c1[nH]c1c3cc(I)ccc3oc21 26182796 FWRKQNYOLURUPO-UHFFFAOYSA-N 377.137 4.370 5 1 GIBF CO/C=C(/C(=O)OC)c1ccccc1/C=C/C=C/c1cccc(OC)c1[N+](=O)[O-] 27642413 BSHCNPVHVRCFRI-UMBICYJRSA-N 395.411 4.490 5 1 GIBF O=[N+]([O-])c1cccc(-c2cnnc(N3CC[C@H](c4cccc(Cl)c4)C3)n2)c1 103226909 UZCJPUVQAPKXTG-HNNXBMFYSA-N 381.823 4.094 5 1 GIBF Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513468 UCIXGOUGFRILGI-INIZCTEOSA-N 383.448 4.211 5 1 GIBF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587644674 ADIXBCJTRYJABE-UHFFFAOYSA-N 378.262 4.217 5 1 GIBF Cc1c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905521 SDMINSVECGZIRI-NSHDSACASA-N 392.209 4.172 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2F)N1 587725272 OIMFOINBJRTANF-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)cc1[N+](=O)[O-] 587872332 VBRHVYAEURHLOS-UHFFFAOYSA-N 399.378 4.024 5 1 GIBF CCCNC(=O)Nc1ccc2cc3ccc(NC(=O)NCCC)cc3nc2c1 40846630 NYTIVXATUCFBQO-UHFFFAOYSA-N 379.464 4.451 5 1 GIBF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163644 UYCVZTKRPZBAJV-UHFFFAOYSA-N 379.420 4.314 5 1 GIBF Cc1cc(Br)ccc1-n1cccc1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 586980580 BBSBNBPZPNSUJI-UHFFFAOYSA-N 398.220 4.395 5 1 GIBF N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(Br)cc1 586998147 YCTSZNSTTWYZES-LLVKDONJSA-N 395.644 4.130 5 1 GIBF CC(=O)N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(C)cc1 587216401 AVKXZYCECIPPQM-LJQANCHMSA-N 395.466 4.388 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc([N+](=O)[O-])c1 587568962 GRHPSOLQBJQUNE-PXNSSMCTSA-N 381.315 4.142 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc([N+](=O)[O-])cc32)N1 587751999 PLRGBBDYHGXYJO-MGNBDDOMSA-N 391.240 4.220 5 1 GIBF CCSc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O 29393548 CICRGMDIVMCXIQ-UHFFFAOYSA-N 378.497 4.263 5 1 GIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)cc(F)c2[nH]1 587158800 JICJWVBFRVEJBV-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF COc1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)cc([N+](=O)[O-])c1 962996265 IHSPLTRNPZNWKQ-FQEVSTJZSA-N 381.457 4.208 5 1 GIBF O=C(c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 82135524 XTSDEOAJYSGPLT-UHFFFAOYSA-N 395.463 4.032 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@H]1[C@@H]3O 210855372 CMONGIHNDXAKGU-RDPSFJRHSA-N 393.483 4.420 5 1 GIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(F)c2[nH]1 587053045 AASRFTUAYUZXOR-OAHLLOKOSA-N 390.802 4.391 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Cl 587169192 WUFIMXVKLIGINZ-UHFFFAOYSA-N 398.785 4.389 5 1 GIBF O=c1nc(N2CCOCC2)oc2c1cc(-c1ccc(Cl)cc1)c1ccccc12 1772603248 LSAPFBOBPYKLOP-UHFFFAOYSA-N 392.842 4.498 5 1 GIBF O=C1CC2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)Oc2c1ccc1c2CCCC1 587510613 BRJHZRBPDSJQKB-UHFFFAOYSA-N 392.455 4.478 5 1 GIBF Cc1cc(CNCCCCCCCNCc2cccc([N+](=O)[O-])c2)ccc1O 45167279 IQDDVQKBSWHFGW-UHFFFAOYSA-N 385.508 4.439 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578283 VVSDVJBIFXWEGN-DENIHFKCSA-N 391.379 4.486 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2[N+](=O)[O-])N1 587718304 INKRAYSXEPXFQH-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587746047 ITOFQIOCHHBFIH-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 963068303 KINHALGXGUSAQZ-QFIPXVFZSA-N 375.428 4.500 5 1 GIBF O=C1N[C@@H](O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CC[C@@H]3O1 29322567 NGCSJSMJLVOJHP-SYJLOODJSA-N 395.418 4.458 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587089676 FZYCSZVZSJVOMY-QMMMGPOBSA-N 376.491 4.157 5 1 GIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587270491 ZUBLEDFKBCWZBX-UHFFFAOYSA-N 383.257 4.021 5 1 GIBF CCN(Cc1ccccc1)C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 95577903 FZEZDKTZQVDJTR-UHFFFAOYSA-N 377.447 4.402 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587748735 VZYGUYFHLVMXAB-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF O=C(c1ccc([N+](=O)[O-])cc1)c1cc2cc(I)ccc2o1 72174425 IOSXKAORTSESNE-UHFFFAOYSA-N 393.136 4.177 5 1 GIBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(F)cc3Cl)c[n+]12 299844517 CEKVUVUJBKKIGA-UHFFFAOYSA-O 394.813 4.430 5 1 GIBF O=C1c2ccccc2-c2cc(-c3ccc(O)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 586988115 ZKCXIENDBXAIHY-UHFFFAOYSA-N 384.347 4.433 5 1 GIBF O=[N+]([O-])c1cncc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587149066 FZPWSYFJCFRHTC-GOSISDBHSA-N 382.326 4.313 5 1 GIBF Cc1cc(N(C)Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1F 587137218 UJQVHOJBJSMMDT-UHFFFAOYSA-N 398.316 4.454 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587267561 NDCWWHBCMSEGMN-AWEZNQCLSA-N 377.404 4.164 5 1 GIBF O=C(O)Cc1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 587643879 KCUCNUYURYVLSM-UHFFFAOYSA-N 375.178 4.133 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2[N+](=O)[O-])N1 587731289 YXIRCQDFWCFCIC-VVVCHXIZSA-N 397.219 4.433 5 1 GIBF Cc1cc(C)cc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1 653849900 OZZNHQGZEYAVOD-UHFFFAOYSA-N 386.389 4.462 5 1 GIBF CCN(CC)CCOC(=O)[C@H](C)c1ccc2c(=O)c3ccccc3ccc2c1 39220570 SSALRJXJNLSLPL-QGZVFWFLSA-N 377.484 4.342 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N1CCCCC1)O2 587388918 HTUSYTRFSPGBKZ-FQEVSTJZSA-N 381.432 4.182 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCCCC1)O2 587388920 HTUSYTRFSPGBKZ-HXUWFJFHSA-N 381.432 4.182 5 1 GIBF COc1ccc2c(CNCCCCC(=O)O)cc3cc4c(cc3c2c1)OCO4 28706127 FXTRSFYXYFZGPZ-UHFFFAOYSA-N 381.428 4.075 5 1 GIBF CCN(CC)CCOC(=O)[C@@H](C)c1ccc2c(=O)c3ccccc3ccc2c1 39220569 SSALRJXJNLSLPL-KRWDZBQOSA-N 377.484 4.342 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587090668 UUMDVXHOPHAYCW-MRVPVSSYSA-N 376.491 4.157 5 1 GIBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cc1OC 587646561 UZDKZQRKPWZAEF-UHFFFAOYSA-N 376.315 4.208 5 1 GIBF CCC[N@@+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253806501 LXBMEFHVAVNYTC-CYFREDJKSA-N 382.480 4.013 5 1 GIBF O=Cc1ccc(OCc2occc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 586900377 HUFNBUPQTOPFLG-UHFFFAOYSA-N 381.319 4.262 5 1 GIBF COc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261180 XMIMGXUAJRLLNA-UHFFFAOYSA-N 396.172 4.057 5 1 GIBF C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(SCc3ccccn3)c([N+](=O)[O-])c2)C1 82149424 PFPXHLGOWJHXDW-HUUCEWRRSA-N 385.489 4.400 5 1 GIBF Cc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163676 RLEGCUGEDNVTIU-ZIAGYGMSSA-N 393.447 4.498 5 1 GIBF O=[N+]([O-])c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Cl 587077005 QPYRADHMKQWSMD-HNNXBMFYSA-N 377.187 4.395 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c([N+](=O)[O-])c1 587558447 SHTKOHXMFGBIEK-XLIONFOSSA-N 381.315 4.142 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1F 587570352 WFXYWRFCOUNRCV-OXJNMPFZSA-N 381.315 4.142 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c([N+](=O)[O-])c2)N1 587719165 PEYNTNANHZWZOQ-HUTHGQBESA-N 397.219 4.433 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2F)N1 587726366 WSUNGMKZSXSDOB-VPTHRUTESA-N 383.192 4.259 5 1 GIBF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc([N+](=O)[O-])cc1 103954569 QWDQOBDIMKNHRU-AWEZNQCLSA-N 398.444 4.416 5 1 GIBF C[N+](C)(C)c1cccc(C(=O)OCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 27079008 KCTTTZCCHPGPGI-UHFFFAOYSA-N 396.467 4.383 5 1 GIBF O=[N+]([O-])c1ccc(OCc2nc3cc(Br)c(F)cc3[nH]2)cc1F 587149941 WOKZVOUARICPPH-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c([N+](=O)[O-])cccc32)N1 587749795 GFUXUDDVZZINLV-MLCYQJTMSA-N 391.240 4.220 5 1 GIBF O=[N+]([O-])c1ccc([C@@H](O)CNCCc2ccccc2)cc1OCc1ccccc1 45168669 DQCGNGPZKFZVIS-QFIPXVFZSA-N 392.455 4.040 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c([N+](=O)[O-])ccc(Br)c1C)O2 587378603 WCJOQBUZCDMSOX-OAHLLOKOSA-N 391.221 4.263 5 1 GIBF COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510485 KXPAPXMVOTTZLG-LJQANCHMSA-N 383.400 4.197 5 1 GIBF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587743541 AWSWOXJKVBSZEU-HUTHGQBESA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016115 GRXFBPJREZVEQZ-JTQLQIEISA-N 395.238 4.209 5 1 GIBF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc([N+](=O)[O-])c1Cl)CC2=O 587463127 UJITYQHAKAJJRS-HNNXBMFYSA-N 377.780 4.318 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2[N+](=O)[O-])N1 587731377 ZGJBQAJQQBTGIT-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF CSc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1 27104657 FFQFAOHESIRJFN-UHFFFAOYSA-N 383.477 4.253 5 1 GIBF O=[N+]([O-])c1ccc(OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1 72181530 OUZAGQBSCFPGDN-UHFFFAOYSA-N 386.411 4.403 5 1 GIBF O=[N+]([O-])c1ccc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F 587148852 LSJRLPRLOGRTSK-UHFFFAOYSA-N 389.346 4.286 5 1 GIBF C[C@@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173268 AUQVYMJHFQMPSR-QHCPKHFHSA-N 398.397 4.427 5 1 GIBF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4nc5ccccc5nc4cc3[nH]1)C2 587246671 INUJPRHWFPECMS-DEOSSOPVSA-N 395.466 4.011 5 1 GIBF c1c2c(cc3c1c1c(c4cc5c(cc43)OCCO5)CN3CCC[C@H]3C1)OCCO2 73295266 LCQXBJBYAFGUBG-AWEZNQCLSA-N 389.451 4.056 5 1 GIBF Fc1cc2c(c(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)c1)OCOC2 587171845 TWMZXEDQAMMHHP-UHFFFAOYSA-N 386.386 4.256 5 1 GIBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587195344 HLMGRPYNXNJSNW-JTQLQIEISA-N 389.253 4.451 5 1 GIBF CC(C)(C)OC(=O)N[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C1CCCC1 587225468 KVUKVYWRYJLRNA-OAHLLOKOSA-N 378.404 4.366 5 1 GIBF C[C@@H]1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 13860171 NHMWBCWXDURPQX-QGZVFWFLSA-N 393.487 4.175 5 1 GIBF COC(=O)c1ccc2[nH]c(=O)c3sc4cc(C(=N)NC(C)C)ccc4c3c2c1 28471536 NXJXIMCNVALBGB-UHFFFAOYSA-N 393.468 4.006 5 1 GIBF COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646184 LCNVUFWEIVEYFT-UHFFFAOYSA-N 378.306 4.472 5 1 GIBF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587745737 IIXALWFJPGBBLO-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1ccc2oc(N[C@H](Cc3ccc(O)cc3)c3ccccn3)nc2c1 28001799 ALJOGRPKJFRUDW-QGZVFWFLSA-N 376.372 4.233 5 1 GIBF Cc1cc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2cc1[N+](=O)[O-] 586900784 MOFIZHHFZPFJCV-UHFFFAOYSA-N 377.356 4.431 5 1 GIBF Cc1cc(Br)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587264609 OETUBBFJHFCFDQ-UHFFFAOYSA-N 391.181 4.041 5 1 GIBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587274903 VZPGULJLFSEVHY-UHFFFAOYSA-N 393.247 4.062 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3cccc([N+](=O)[O-])c3C2)N1 587749274 DHVBQUUZIKNVIS-XTZNXHDOSA-N 391.240 4.025 5 1 GIBF CN1CCN(CCn2c3ccc4ccccc4c3c3nc4ccccc4nc32)CC1 66077912 AACNINVWYIMOAD-UHFFFAOYSA-N 395.510 4.138 5 1 GIBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587034282 GUCCPMLLKMSLDL-CYBMUJFWSA-N 395.444 4.352 5 1 GIBF COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644926 RBEZHHDGRPVFPF-UHFFFAOYSA-N 393.182 4.406 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)c(C)cc2[nH]1 587264437 RPQOUZXLEYMROF-LBPRGKRZSA-N 399.403 4.139 5 1 GIBF Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645784 KAQINPLOFLPFNN-UHFFFAOYSA-N 398.419 4.259 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2[N+](=O)[O-])N1 587727908 CLARWBFNKNSJLT-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(F)c5)c4c3c2)cn1 71329068 WQPJHFLXEKRKAS-UHFFFAOYSA-N 388.377 4.218 5 1 GIBF Nc1ccc(-c2ccc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c3c2)cc1N 587148172 DMQDSYZUYJQHLA-UHFFFAOYSA-N 393.378 4.021 5 1 GIBF CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434493 WHHVHJNSWKJRDB-VFNWGFHPSA-N 378.384 4.138 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746392 JTAOPMXJCYKZHR-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF COc1cc([N+](=O)[O-])c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587511254 OGMGLPBDLOFVDZ-JOCHJYFZSA-N 397.427 4.371 5 1 GIBF O=[N+]([O-])c1cc(/C=C\c2nc3ccnc(Br)c3[nH]2)ccc1Cl 587048804 YQSXRESFQPVBQU-RQOWECAXSA-N 379.601 4.452 5 1 GIBF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587069313 HYCQWJVUMVYLRF-VIFPVBQESA-N 388.767 4.409 5 1 GIBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 587280220 OPHKTXUSODEUFZ-NSHDSACASA-N 384.775 4.230 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cccnc1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432238 IUAUSCOMGBTYGM-HTAPYJJXSA-N 388.379 4.154 5 1 GIBF CN1CCC=C(c2ccc(CN(C)C/C=C/c3ccc([N+](=O)[O-])cc3)cc2)C1 653801371 ZWRNNQRRFXCJDU-HWKANZROSA-N 377.488 4.459 5 1 GIBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(Cl)c3)cc1)C2 45286027 AOEVHGXXIPKWKE-KRWDZBQOSA-N 385.807 4.090 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C)c(C)c2[nH]1 587264403 RECZCKFBMIVWNE-ZDUSSCGKSA-N 383.404 4.439 5 1 GIBF Cc1cnc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c([N+](=O)[O-])c1 962700777 KLKCEMVVCCTDBN-XOBRGWDASA-N 387.480 4.064 5 1 GIBF COc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260811 GOLZQZQSUDQESC-UHFFFAOYSA-N 392.209 4.226 5 1 GIBF CS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645948 FZGAJSVZALTYPE-UHFFFAOYSA-N 384.335 4.165 5 1 GIBF C[C@H](C(=O)Nc1cnc2cnc(-c3cccc([N+](=O)[O-])c3)cn12)c1ccccc1 653671301 YVXNSLSTOABQHP-AWEZNQCLSA-N 387.399 4.047 5 1 GIBF Cc1cc(Br)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])cncc2[nH]1 586981146 LEBTZNHSGSJEIK-UHFFFAOYSA-N 398.220 4.395 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc([N+](=O)[O-])c1)CC2=O 587468098 AQQJQMITQUHPIV-VDZCTEQFSA-N 396.443 4.189 5 1 GIBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 27553468 CGNGWURGADZDKB-AWEZNQCLSA-N 393.399 4.255 5 1 GIBF O=[N+]([O-])c1ccc(NC(=S)OCCc2ccc(Br)cc2)cc1 45497160 ZUPHCHGJOMYWIN-UHFFFAOYSA-N 381.251 4.313 5 1 GIBF CCOC(=O)c1c(-c2ccc(OC)cc2)cc(-c2ccco2)c([N+](=O)[O-])c1N 96931788 DRDJBIUIYVQXIG-UHFFFAOYSA-N 382.372 4.289 5 1 GIBF O=[N+]([O-])c1ccc(-c2nnc3c(Cc4ccccc4)nc4ccccc4n23)cc1 473114388 NJPZUJSBTKCSSB-UHFFFAOYSA-N 381.395 4.444 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587422866 VMQBCNUCNYVSHB-GTNSWQLSSA-N 379.290 4.111 5 1 GIBF Cc1cc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1[N+](=O)[O-] 587204161 IXYMQNQFDMDPCH-HNNXBMFYSA-N 376.457 4.261 5 1 GIBF O=C1C[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)Oc2c1ccc1c2CCCC1 587513236 QWXJODCSJDKXOV-IBGZPJMESA-N 381.384 4.047 5 1 GIBF Cc1cccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1C 587564523 VEGLVPCFDFQUMR-UHFFFAOYSA-N 376.210 4.429 5 1 GIBF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576105 MKXGQZDDEFRQNW-NQIIRXRSSA-N 377.352 4.312 5 1 GIBF CNc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576338 OABRBECQEFPQMS-RXVVDRJESA-N 392.367 4.045 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2F)N1 587728840 TYEZCQCGHPTWPB-ZKANADHPSA-N 383.192 4.259 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[N+](=O)[O-])N1 587747591 OSODWJPKEOGQOO-BTDLBPIBSA-N 379.229 4.294 5 1 GIBF Cc1c(O)cc2oc3c4c(c(C)c(O)c3c(=O)c2c1[C@H](C)[C@H](C)O)[C@@H](C)[C@@H](C)O4 2356800981 QJDBIQCTKLKBFF-FIDNZITISA-N 398.455 4.343 5 1 GIBF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587232767 BSGXXZMHQQPHSZ-ONGXEEELSA-N 380.832 4.285 5 1 GIBF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587573476 CDWLMSFCJGMWGR-WIYYLYMNSA-N 377.352 4.312 5 1 GIBF NC(=O)c1cccc(C[C@H](N)c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587260019 LXNHBXUOVRBJPF-FQEVSTJZSA-N 380.451 4.211 5 1 GIBF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587576484 OUUQGEMFSZTXFX-UTKZUKDTSA-N 377.352 4.312 5 1 GIBF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587743898 BYUMQQATYNGYBV-ABKXIKBNSA-N 395.228 4.129 5 1 GIBF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)cnc1N 1857535617 YTPXFRRSNGMNHZ-UHFFFAOYSA-N 382.807 4.453 5 1 GIBF Cc1c2c(c3oc4cc(=O)c(O)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@H](C)[C@H]2C 2356782233 DEZZBYAETRDOKW-JZSSXWJLSA-N 382.412 4.386 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](O)[C@@H]1CCCN1C3 14853930 VEPWWLXWVFFRLY-WMZHIEFXSA-N 379.456 4.030 5 1 GIBF biogenic CCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134318 MYDCVBLFRFTXSE-UHFFFAOYSA-N 397.479 4.326 5 1 GIBF FC(F)(F)c1ccn(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 587117459 CJYFSFDPIWBMNP-UHFFFAOYSA-N 382.349 4.117 5 1 GIBF O=C(c1ccccc1I)c1coc2cc([N+](=O)[O-])ccc12 587280031 HGBOLWJTHLAJBV-UHFFFAOYSA-N 393.136 4.177 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H](C2)C3=O 587431877 HZTBGVIYHUJXAU-JTSKRJEESA-N 394.427 4.082 5 1 GIBF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577267 RMMMAFBUXPHRGY-KNQAVFIVSA-N 391.379 4.486 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OC)cc1[N+](=O)[O-])CC2=O 587473399 TZXALBJZIZUEJO-NRFANRHFSA-N 385.416 4.228 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2F)N1 587725275 OIMFOINBJRTANF-ZKANADHPSA-N 383.192 4.259 5 1 GIBF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 28221584 CJUPRSWGCWCLFC-UHFFFAOYSA-N 377.422 4.384 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587269084 KJMWAWXJLBNQCL-UHFFFAOYSA-N 378.219 4.440 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578317 VWZQHFBMMUVRQH-WIYYLYMNSA-N 377.352 4.312 5 1 GIBF Cc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174597 WEVGAAZWAKTJPS-ZIAGYGMSSA-N 393.447 4.498 5 1 GIBF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747706 PSLOPXVAXSXXQM-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF O=[N+]([O-])c1sccc1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962635397 IUUCPGXDTCDGHL-GHTZIAJQSA-N 391.496 4.493 5 1 GIBF Cc1cc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Br 586977819 SVDAKBCKLXDBLS-UHFFFAOYSA-N 391.181 4.041 5 1 GIBF CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434492 WHHVHJNSWKJRDB-QVKFZJNVSA-N 378.384 4.138 5 1 GIBF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587576486 OUUQGEMFSZTXFX-UWJYYQICSA-N 377.352 4.312 5 1 GIBF Nc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])cc1 1911578092 PSXWTYHCRVNTSU-NTCAYCPXSA-N 387.439 4.419 5 1 GIBF COc1ccc2c(=O)oc3c4c(ccc3c3ccc(O)c1c23)C[C@H](C)N[C@@H]4C 2356704645 BRQBAYCSHJEJFL-NWDGAFQWSA-N 375.424 4.409 5 1 GIBF COc1cccc(N2CCN(c3cc(=O)oc4c3ccc3ccccc34)CC2)c1 1857559557 TUHUEHYFFXNQCM-UHFFFAOYSA-N 386.451 4.281 5 1 GIBF CC[N+](C)(C)CCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1857592234 BWJNIGMRCJEYQQ-UHFFFAOYSA-O 377.593 4.132 5 1 GIBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 34201754 UAWLTNURBICUPU-UHFFFAOYSA-N 381.624 4.356 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[N@@+]1([O-])CCC[C@H]1[C@@H]3O 253667009 SHQULSXBVKOENG-IGKWTDBASA-N 395.455 4.043 5 1 GIBF Cc1cc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-] 587220522 CTPVONHOEHYZFT-FQEVSTJZSA-N 386.411 4.299 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2F)N1 587721917 WQSZPAQEODCJHP-ZKANADHPSA-N 383.192 4.259 5 1 GIBF CC1=CC(C)=[N+]2[C@H]1[C@@H](c1ccc([N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 1857769524 NLJLGVMJANUWRJ-NHCUHLMSSA-N 384.303 4.472 5 1 GIBF CN1CCc2c(Br)cccc2[C@@H]1c1c[nH]c2cccc([N+](=O)[O-])c12 963289487 OBQPRFZSQCCVKN-GOSISDBHSA-N 386.249 4.416 5 1 GIBF COc1cc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c2cc1OC 102830097 GEECYOYNWIGYII-HNNXBMFYSA-N 398.528 4.328 5 3 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1F 587570329 VIIPHOQYAKPEIY-YLJYHZDGSA-N 381.315 4.142 5 1 GIBF COc1ccc(N/C=C(\[C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)[N+](=O)[O-])cc1 963118182 YYWQYCVTHYQMJF-HGCOGQBCSA-N 383.423 4.126 5 1 GIBF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586890460 PNZVFICEWKKGBE-HWPZZCPQSA-N 390.237 4.379 5 1 GIBF O=[N+]([O-])c1cccc(NCc2cccc(CNc3cccc([N+](=O)[O-])c3)n2)c1 1772618954 RAZMYHYCRDXOPT-UHFFFAOYSA-N 379.376 4.122 5 1 GIBF COC(=O)[C@H]1[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@H]2CC[C@H]1N2C 253634727 VAOSRYXOQDMAAS-PLWAMTLXSA-N 380.444 4.001 5 1 GIBF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC2=O 587472543 JKJUERWTMQAEBX-NRFANRHFSA-N 398.415 4.006 5 1 GIBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587578280 VTENWHIHAWHWNC-RXVVDRJESA-N 393.351 4.012 5 1 GIBF CC(=O)O[C@@H]1Cc2c(c3ccccc3c3nc4c(nc23)CCCC4)OC1(C)C 40764335 MVLBBSKZTGHXRO-LJQANCHMSA-N 376.456 4.307 5 1 GIBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] 587578277 VTENWHIHAWHWNC-GHTZIAJQSA-N 393.351 4.012 5 1 GIBF O=[N+]([O-])c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1F 587074983 AJELBDSIXUHNKU-UHFFFAOYSA-N 387.758 4.099 5 1 GIBF Cc1cc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2cc1[N+](=O)[O-] 587121137 UJMSTVWXPVRARJ-UHFFFAOYSA-N 379.220 4.207 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)cc(Br)c2[nH]1 587266888 CFAZVZJOIBSOTA-ZETCQYMHSA-N 384.621 4.001 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1[N+](=O)[O-])O2 587378941 XCSALWWAIJAGNV-KRWDZBQOSA-N 391.221 4.129 5 1 GIBF O=[N+]([O-])c1cn2c(n1)S[C@H](COCc1ccc(Oc3ccccc3)cc1)C2 1772655306 SCZSMGGBTCESBE-KRWDZBQOSA-N 383.429 4.275 5 1 GIBF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OC)cc1[N+](=O)[O-])CC2=O 587473400 TZXALBJZIZUEJO-OAQYLSRUSA-N 385.416 4.228 5 1 GIBF CCOc1ccccc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587780193 NKCZGQULYVYMRE-UHFFFAOYSA-N 392.209 4.211 5 1 GIBF C[n+]1c2ccccc2nc2c1c1cc(F)ccc1n2CCCC[N+]1(C)CCCC1 1857566416 PKUIEDLZVKEFRQ-UHFFFAOYSA-N 392.522 4.327 5 1 GIBF O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1ccc([N+](=O)[O-])cc1 103196424 QOYHXHHEYXKAIA-SFHVURJKSA-N 383.454 4.210 5 1 GIBF Fc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(N2CCCC2)n1 587177548 MLFXSQPHHZKTEZ-UHFFFAOYSA-N 384.418 4.461 5 1 GIBF Cc1cccc(NC(=O)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1C 587239836 YIZCRUDUDVPVDR-UHFFFAOYSA-N 381.439 4.457 5 1 GIBF NC(=O)CCCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 28821294 FAUXBCCFVOVSMS-UHFFFAOYSA-O 399.518 4.158 5 1 GIBF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587067705 LTJWVCDCWKDEGY-SECBINFHSA-N 376.756 4.481 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575896 LFCWSRBUSXDFNT-RXVVDRJESA-N 377.352 4.312 5 1 GIBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N(C)C 4295658 PHWDDUXYNJWWGG-IRXDYDNUSA-N 381.860 4.350 5 1 GIBF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174593 WEVGAAZWAKTJPS-OKILXGFUSA-N 393.447 4.498 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587261644 DXEMZTKCZFNWNR-UHFFFAOYSA-N 381.310 4.300 5 1 GIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(F)cccc2F)cc1NN1CCCCC1 15936825 OLPDRPXAJJWJMY-UHFFFAOYSA-N 394.334 4.386 5 3 GIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@@H]1C3=O 299841119 YAJBXWREZPHLFG-LJQANCHMSA-N 377.440 4.267 5 1 GIBF OCCN1CCN(c2ccc(Nc3ccnc4cc5ccccc5cc34)cc2)CC1 5162931 GICVXLQNOAJVLU-UHFFFAOYSA-N 398.510 4.246 5 1 GIBF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 53243655 ORDPHVUTWZTFSU-OAHLLOKOSA-N 395.271 4.296 5 1 GIBF Cc1ccc2c3c(cc(Cn4nc([N+](=O)[O-])cc4C)nc13)-c1ccccc1C2=O 587098127 NQLGAVLKXHLCBP-UHFFFAOYSA-N 384.395 4.216 5 1 GIBF O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cccc3c2n1CCC3 14945576 VIOQQWWWTRTPGJ-UHFFFAOYSA-N 383.382 4.398 5 1 GIBF Nc1nc(N)c2cc(COC(=O)c3c4ccccc4cc4ccccc34)ccc2n1 33495361 DUFFXUSUXDWRER-UHFFFAOYSA-N 394.434 4.458 5 1 GIBF CCc1ccccc1NC(=O)c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587241369 UWBCKHBLSAMEGH-UHFFFAOYSA-N 389.209 4.048 5 1 GIBF O=[N+]([O-])c1cc(F)ccc1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962699475 IGOAQQOHLSTVAH-YJYMSZOUSA-N 376.428 4.326 5 1 GIBF O=C1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2Cl)S1 96282308 MTKVFVBAKMUURF-CHHVJCJISA-N 390.804 4.151 5 1 GIBF Nc1ccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1 1911575803 DWAZEWJSAWVGIR-UHFFFAOYSA-N 394.408 4.257 5 1 GIBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1cccs1)c1cccc(F)c1F 28466225 LAHBSJSXWUJLNC-QGZVFWFLSA-N 379.388 4.246 5 1 GIBF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587434240 RWGKTCRDQHTCTD-WMZHIEFXSA-N 387.391 4.295 5 1 GIBF COc1ccc2c(ccc3c(CC[N+](C)(C)[O-])cc(OC)c(OC)c32)c1OC 14826904 JFTZECKIHZVYRN-UHFFFAOYSA-N 385.460 4.144 5 1 GIBF Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587747083 LWLLAWWIQSQEOT-MGPLVRAMSA-N 379.229 4.428 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2[N+](=O)[O-])N1 587718306 INKRAYSXEPXFQH-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF O=C(O)c1ccccc1C(=O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 1911585164 OGHAJMGFWUFGSH-UHFFFAOYSA-N 380.381 4.070 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc([N+](=O)[O-])c1 587568963 GRHPSOLQBJQUNE-XLIONFOSSA-N 381.315 4.142 5 1 GIBF O=[N+]([O-])c1nccn1CCCCNc1nc(-c2ccccc2)nc2ccccc12 73168088 MDBWSRXNCXMOLU-UHFFFAOYSA-N 388.431 4.294 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](C2)C3=O 587422452 UNEGRNDKGHXUJP-YVEFUNNKSA-N 379.290 4.111 5 1 GIBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cnc([N+](=O)[O-])n1 587628278 QNAJZJMBFATHHA-UHFFFAOYSA-N 379.220 4.003 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc([N+](=O)[O-])c2)N1 587747395 NNGYREVLNOMJPZ-DYZYQPBXSA-N 379.229 4.294 5 1 GIBF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587232831 BSGXXZMHQQPHSZ-GXSJLCMTSA-N 380.832 4.285 5 1 GIBF Cc1cc2[nH]c(-c3cc(I)ccc3F)nc2cc1[N+](=O)[O-] 587182636 MATCGYRKIRUMSY-UHFFFAOYSA-N 397.147 4.190 5 1 GIBF NC(=O)c1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccc(Cl)cc2)c[nH]1 587644996 UBQWBHCCWVCYBL-UHFFFAOYSA-N 380.791 4.491 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c([N+](=O)[O-])c2)N1 587713916 DMKGMUVKOZOTGL-HUTHGQBESA-N 397.219 4.433 5 1 GIBF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@+](C)([O-])[C@H]1N2C 685933129 MVHRCJQCKYPDRL-KJWPAHLWSA-N 381.476 4.242 5 1 GIBF in-vivo COc1ccc2c(c1OC)[C@]1(CCCc3c([N+](=O)[O-])cccc31)N(C)[C@H](C)C2 962621539 HDUGUZOSIYRSGL-JLCFBVMHSA-N 382.460 4.068 5 1 GIBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc(F)cc2)cc1 13584392 CYJSUTPHTXWLFW-UHFFFAOYSA-N 395.419 4.214 5 1 GIBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCC1C2CC3CC(C2)CC1C3 28712517 UHUCPXIUBAMVEE-UHFFFAOYSA-O 388.509 4.459 5 1 GIBF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586964313 XPOOIGMUWYFGBS-GFCCVEGCSA-N 379.829 4.172 5 1 GIBF CN(C)/C=C/[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511821 JGNCJVBYHZSLOF-ZVQQDINOSA-N 392.455 4.410 5 1 GIBF CCCN(CCC)c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 13560036 AABMRYNRSQIVJQ-UHFFFAOYSA-N 377.466 4.022 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@@H](O)[C@]1(C)CCCN1C3 207348205 LBYUDVFVSJBGSN-RPWUZVMVSA-N 393.483 4.420 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3c(Cl)ccnc3[nH]2)c(C)c1[N+](=O)[O-] 587265591 QUJIPPCCFQKDGL-UHFFFAOYSA-N 382.811 4.048 5 1 GIBF C[C@@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 13660344 LEDAUVNBKIUBHL-SFHVURJKSA-N 384.779 4.338 5 3 GIBF Cc1c([C@H](C)[C@H](C)O)c(O)c2oc3cc(=O)c(C)c4c-3c(c2c1O)O[C@H](C)[C@H]4C 40862937 HESPWWKIRCFDQL-MNUQUWEESA-N 398.455 4.295 5 1 GIBF biogenic O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(CCO)ccc4[nH]3)cc2)cc1 587271524 DYVBZUQUCAYKBL-UHFFFAOYSA-N 375.384 4.465 5 1 GIBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CSC3 835647 ILAIMJWAIMLLFX-UHFFFAOYSA-N 383.432 4.448 5 1 GIBF COc1cc2c(=O)oc3c4c(ccc3c2c2cccc(O)c12)C[C@H](C)N[C@@H]4C 31852154 JXIICUPAPXXMPH-NWDGAFQWSA-N 375.424 4.409 5 1 GIBF biogenic Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] 586986659 DVRUWSGITXZBQL-UHFFFAOYSA-N 383.363 4.309 5 1 GIBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)cc(Br)c2[nH]1 587268283 ZYYKHJMXVICEHA-UHFFFAOYSA-N 398.648 4.255 5 1 GIBF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174596 WEVGAAZWAKTJPS-KBPBESRZSA-N 393.447 4.498 5 1 GIBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(F)c1 587143872 BVJFUBMXJCTMIL-UHFFFAOYSA-N 392.346 4.346 5 1 GIBF Cc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1F 587267093 FJVHJQKFDZDSFW-UHFFFAOYSA-N 379.395 4.447 5 1 GIBF COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644331 VHINNJSETQVPPY-UHFFFAOYSA-N 389.205 4.221 5 1 GIBF Cc1ccc(Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)cc1 13584445 FPGOXVLDJSDIAV-UHFFFAOYSA-N 391.456 4.384 5 1 GIBF CC1(C)C[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2O1 38215106 YWZWRTAQMFMTSJ-HNNXBMFYSA-N 375.425 4.323 5 1 GIBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(Br)nc3[nH]2)ccc1Cl 587048361 UGGPMJOVLWUEQM-KXFIGUGUSA-N 379.601 4.452 5 1 GIBF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587745735 IIXALWFJPGBBLO-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc([N+](=O)[O-])cc2)N1 587749584 DSKUEJGITCQYRP-MEBBXXQBSA-N 379.229 4.314 5 1 GIBF CCOc1ccc(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943446 BQOMLENQOLULLM-UHFFFAOYSA-N 387.205 4.393 5 1 GIBF CN1C(=O)c2ccccc2Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc21 21116934 WRJBAMYXNRUTBW-UHFFFAOYSA-N 395.396 4.181 5 1 GIBF COc1cc2c(cc1O)oc(=O)c1c2c(C)c2c3cc(OC)c(O)cc3ccn21 138057353 KQQKKHFYFORKDS-UHFFFAOYSA-N 391.379 4.089 5 1 GIBF FC(F)COc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)n1 587122370 DXHODQJEQVGOQK-UHFFFAOYSA-N 377.354 4.365 5 1 GIBF C[C@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512306 MVYYKFQIUFLZKT-JOCHJYFZSA-N 394.427 4.226 5 1 GIBF Cc1c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cccc1[N+](=O)[O-] 587660979 JZYFKXBQAHJDQC-UHFFFAOYSA-N 375.359 4.408 5 1 GIBF CN(C)CCCNc1ccc2nc(-c3ccccc3)n3c4ccccc4c(=O)c1c23 100934371 BFXVUNCSONVJTM-UHFFFAOYSA-N 396.494 4.469 5 1 GIBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(F)c1 587143983 DNRDYPZGSOSGSG-UHFFFAOYSA-N 392.346 4.346 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587269426 NLACMEGOVAFRFQ-UHFFFAOYSA-N 387.783 4.300 5 1 GIBF COc1cccc(NC(=O)c2c(-c3cccnc3)[nH]c3cccc([N+](=O)[O-])c23)c1 587646412 AAQQPJREOUVDQQ-UHFFFAOYSA-N 388.383 4.399 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)[C@@H](O)CN(Cc1ccc(-c3ccccc3)cc1F)CC2 1857638876 PAGHFWHQSWZFKP-QHCPKHFHSA-N 392.430 4.493 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cn3)cc1)O2 587388413 BEBDYIMUSQDRIU-FQEVSTJZSA-N 375.384 4.254 5 1 GIBF C[C@H](C(=O)OCCCCN(C)C)c1ccc2c(=O)c3ccccc3ccc2c1 169347076 FUVPPLOPJRSFOJ-KRWDZBQOSA-N 377.484 4.342 5 1 GIBF CC(C)c1cc2cc(=O)cc3c4cc(=O)cc5cc(C(C)C)c(=O)c(c(c1=O)c23)c54 196199515 YKFHJMVFDQFWRJ-UHFFFAOYSA-N 396.442 4.300 5 1 GIBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587035692 YGZKCLOKLHQQSK-GFCCVEGCSA-N 395.444 4.352 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587261478 CDNAWTWHWNKAPE-UHFFFAOYSA-N 381.310 4.300 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587269530 PQXAEPBMHQXXML-UHFFFAOYSA-N 377.326 4.152 5 1 GIBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1OC(C)(C)C 587942888 FAAZPSHWTLGQFQ-UHFFFAOYSA-N 387.205 4.478 5 1 GIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccc(F)cc2F)cc1NN1CCCCC1 15936253 XVTWUUOZENKBGP-UHFFFAOYSA-N 394.334 4.386 5 3 GIBF C[C@H](O)CN(C)c1nc2cc(-c3ccc(Cl)cc3)nnc2c2ccccc12 28759012 PEHAZBWTEAIAAV-ZDUSSCGKSA-N 378.863 4.315 5 1 GIBF CCC[N+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 40914411 LXBMEFHVAVNYTC-XGLRFROISA-N 382.480 4.013 5 1 GIBF O=[N+]([O-])c1ccc(C2=NC(=S)N[C@@H](c3ccc(Br)cc3)C2)cc1 103165064 MOSMSJLUNUAGBI-CQSZACIVSA-N 390.262 4.166 5 1 GIBF Cc1c(Br)ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587264526 NIUAUOQGSUBWGX-UHFFFAOYSA-N 391.181 4.041 5 1 GIBF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587162448 CLPSTAAYIHDQIZ-CQSZACIVSA-N 393.216 4.024 5 1 GIBF Cc1c(C)c2ccc(OCCCOc3cc(O)cc([N+](C)(C)C)c3)cc2oc1=O 40407273 VSMMAJBKBSEGTH-UHFFFAOYSA-O 398.479 4.160 5 1 GIBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587117266 RDPNFQCXSGOVDE-UHFFFAOYSA-N 394.140 4.350 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(F)cc1F 587559336 WJDRSCZAAASKCS-XLIONFOSSA-N 399.305 4.282 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2[N+](=O)[O-])N1 587732373 MYHFRFRDBMMZFR-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746388 JTAOPMXJCYKZHR-BMLIUANNSA-N 379.229 4.428 5 1 GIBF Cc1c(F)cccc1-c1cc(-c2nc3cccc(C(N)=O)c3[nH]2)cc([N+](=O)[O-])c1 587137245 VXEBUHRFTHAHTA-UHFFFAOYSA-N 390.374 4.352 5 1 GIBF CC(C)[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198775 ONHLCNTZOBOYAR-SFHVURJKSA-N 382.420 4.437 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576947 QFRFAPOXZNWJSR-WIYYLYMNSA-N 393.351 4.012 5 1 GIBF Cc1cc(O)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)Nc1nccc(C)c1[N+](=O)[O-])C2 1772656087 YHSXCCPZVKSSHZ-UKRRQHHQSA-N 383.448 4.000 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(CNc3ccccc3Cl)[nH]c12 587060168 CWHPIQWLZJBMBI-UHFFFAOYSA-N 381.617 4.499 5 1 GIBF O=[N+]([O-])c1ccc(OCc2nc3ccc(F)c(Br)c3[nH]2)cc1F 587149095 PLJVVTKPUXPMEB-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccnc(Br)c4[nH]3)c2)c1 587269913 JDARMVIJVBFOLX-UHFFFAOYSA-N 396.204 4.358 5 1 GIBF COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509651 IHRROVNDBZIHMF-SFHVURJKSA-N 383.400 4.197 5 1 GIBF O=C1C[C@@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)Oc2c1ccc1c2CCCC1 587513972 WIXSZKJWFLUJIV-GHTZIAJQSA-N 381.432 4.189 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(F)c1 587552975 DIIWSGGQERQXRE-FXAWDEMLSA-N 381.315 4.142 5 1 GIBF CCN(CC)CCNc1c2ccccc2[n+](C)c2c1[nH]c1c(F)cc(F)cc12 55734801 RNZRDQFDLYXXCX-UHFFFAOYSA-O 383.466 4.331 5 1 GIBF Cc1onc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c1COc1ccccc1Cl 587063135 FGRJRBUQMBDBDN-UHFFFAOYSA-N 385.767 4.062 5 1 GIBF Cc1cc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2cc1[N+](=O)[O-] 587269283 KGSBKYBPJAJCBM-UHFFFAOYSA-N 375.344 4.417 5 1 GIBF CCCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135568 VVNWFELAYUGFPP-UHFFFAOYSA-N 397.479 4.136 5 1 GIBF CC(C)(C)OC(=O)CN(Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])s1 84690001 ICNXKYQDYSDHFA-UHFFFAOYSA-N 380.441 4.139 5 1 GIBF CN(C)/C=C/[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511327 FXEOKGAWRSQEGK-MDRMPYQZSA-N 392.455 4.410 5 1 GIBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2cccc(F)c2)cc1 13584389 JNFDNOMPEWZZJS-UHFFFAOYSA-N 395.419 4.214 5 1 GIBF Cc1c(Br)ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148887 DOQPDLPWEWTHKY-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)c(C)cc2[nH]1 587264436 RPQOUZXLEYMROF-GFCCVEGCSA-N 399.403 4.139 5 1 GIBF Cc1cnc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c([N+](=O)[O-])c1 962700771 KLKCEMVVCCTDBN-JLTOFOAXSA-N 387.480 4.064 5 1 GIBF CCC(=O)[C@@H]1[C@@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@@H]2CC[C@H]1N2C 29326728 JYGCGYZVYIDMNS-NWUWZPLHSA-N 382.460 4.302 5 1 GIBF O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ncco1)c1cccc2ccccc12 29231917 ZPRQKFILZIQITE-FQEVSTJZSA-N 387.395 4.450 5 1 GIBF O=[N+]([O-])c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914420 HMBSSAXZHRLCLW-UHFFFAOYSA-N 375.340 4.239 5 1 GIBF O=C1C[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)Oc2c1ccc1c2CCCC1 587512324 MWNKAMKOESRIMK-HXUWFJFHSA-N 391.379 4.287 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc([N+](=O)[O-])c1F 587557090 LOASJFMTFBIZEU-OXJNMPFZSA-N 399.305 4.282 5 1 GIBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2cccc([N+](=O)[O-])c12 587644131 NPCUFULNNYSNQA-UHFFFAOYSA-N 392.165 4.428 5 1 GIBF COc1ccc([C@H]2NC(=S)Nc3c2c(=O)oc2c3ccc3ccccc32)cc1 6484474 ZTZZIVRNXTXKNC-GOSISDBHSA-N 388.448 4.344 5 1 GIBF O=[N+]([O-])c1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587116344 UOIMWKKGKHPJTO-UHFFFAOYSA-N 387.115 4.314 5 1 GIBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccccc2)c1O 587936189 GXBQXMPRAUDMRN-UHFFFAOYSA-N 375.178 4.226 5 1 GIBF O=c1c(-c2ccc(F)c([N+](=O)[O-])c2)nc2ccccc2n1Cc1ccccc1 1772597491 ONPKLWRLUJUBOC-UHFFFAOYSA-N 375.359 4.159 5 1 GIBF COc1cc2c(CN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 40950003 XLZBJUMDRGOXML-UHFFFAOYSA-N 390.439 4.349 5 1 GIBF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587041824 GNVCKYILHAMEBQ-CQSZACIVSA-N 391.500 4.279 5 1 GIBF O=C(O)Cc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644553 ZRZKEEIBSPAAIR-UHFFFAOYSA-N 375.178 4.133 5 1 GIBF Cc1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1 14970345 TXXCVMAHAHUNGI-UHFFFAOYSA-N 389.430 4.189 5 1 GIBF Cc1nc(-c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163585 XSWHSDMGWHYWBX-UHFFFAOYSA-N 381.461 4.392 5 1 GIBF COc1ccc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1OC 587646600 WWZVXGDYCGIIQN-UHFFFAOYSA-N 376.315 4.262 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2F)N1 587727270 NEGQWFDFRGUDBC-VPTHRUTESA-N 383.192 4.259 5 1 GIBF CCCCCSC1=N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1 101618281 SROZFJNBWIWEOA-QGZVFWFLSA-N 391.493 4.356 5 1 GIBF O=[N+]([O-])c1ccc2nc(Nc3cccc(O)c3)c(Nc3cccc(O)c3)nc2c1 474609830 VWVUDJWVOCEZRA-UHFFFAOYSA-N 389.371 4.436 5 1 GIBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(C)(C)C 587202352 ACCMINMKSWYRMT-AWEZNQCLSA-N 380.420 4.092 5 1 GIBF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747788 QCCDHGGJWKBINX-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)c1 587645337 QTYXHLNOYBKFFR-UHFFFAOYSA-N 394.305 4.343 5 1 GIBF CS[C@H]1S[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CC(C)(C)CC(=O)[C@@H]12 169369515 LNPLHXQOMCAECE-UOJCXKCYSA-N 379.503 4.204 5 1 GIBF COC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cccc(C(F)(F)F)c1 587646104 JOLHQIVMGFUVIO-UHFFFAOYSA-N 378.306 4.477 5 1 GIBF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587743547 AWSWOXJKVBSZEU-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc([N+](=O)[O-])c2)N1 587747397 NNGYREVLNOMJPZ-QGHHPUGFSA-N 379.229 4.294 5 1 GIBF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587747864 QLGBCGYMPLNRPA-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)ccc1OCc1ccccc1 587937671 VGSWUXYULABGCT-UHFFFAOYSA-N 389.205 4.433 5 1 GIBF CC(=CCOc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1)CC=CC(C)(C)O 2356381200 CWGFICUYZGEREO-UHFFFAOYSA-N 396.439 4.400 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2[N+](=O)[O-])N1 587725032 BESVARKTCBIQAA-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF Nc1ccc(-c2ccc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c3c2)cc1N 587159706 UXOVCJWHLSBQGL-UHFFFAOYSA-N 393.378 4.021 5 1 GIBF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587190544 KZYUMFDYYCFLCR-QGZVFWFLSA-N 382.420 4.427 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c([N+](=O)[O-])cc1F 587555352 GHSMUAJVXKFSGW-FXAWDEMLSA-N 399.305 4.282 5 1 GIBF Cc1cccc([C@H]2N[C@H](c3cccc(C)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])c1 19995692 OGCYJIVSWQMNJB-UAFMIMERSA-N 383.448 4.006 5 1 GIBF Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1 28957239 ZPDXCOQNNMNOTC-UHFFFAOYSA-N 388.383 4.410 5 1 GIBF O=C(Nc1ccccc1Cl)c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587060508 OUDMQMUEGMMUMF-UHFFFAOYSA-N 395.600 4.139 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1 587265945 VCCGCAVHUKEEGS-JTQLQIEISA-N 384.396 4.245 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)C[C@]1(C2)c2cccc(F)c2CCN1[C@H]1CCSC1 962691685 AQSQXRMBDGIOIF-LAUBAEHRSA-N 384.476 4.092 5 1 GIBF COc1cc(OC)c2c(C3CCN(C(C)=O)CC3)nc3c(OC)cccc3c2c1 1911584599 IBHFMRZGFGHUPT-UHFFFAOYSA-N 394.471 4.140 5 1 GIBF O=C(O)C1=CN(c2ccncc2)C(c2ccco2)=C[C@H]1c1ccccc1[N+](=O)[O-] 1858588 UYWYEVMQWWMDHS-INIZCTEOSA-N 389.367 4.196 5 1 GIBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccc(-c2ccccc2)cc1 72179015 HTSCERKQDUXGIR-QSOAKEGCSA-N 391.427 4.412 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(F)c(C)c2[nH]1 587265319 WGHDHHCFJNOZAN-NSHDSACASA-N 387.367 4.270 5 1 GIBF CC(C)(C)OC(=O)N[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C1CCCC1 587225443 KVUKVYWRYJLRNA-HNNXBMFYSA-N 378.404 4.366 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 587871120 ANYUJFKLJMLZBU-UHFFFAOYSA-N 399.378 4.024 5 1 GIBF COc1cccc2cc3c(nc12)[C@](C)(CCc1ccccc1[N+](=O)[O-])NCC3 963027551 ACNRAEGANOZOII-QFIPXVFZSA-N 377.444 4.145 5 1 GIBF Nc1nc(N)c(CCCCc2ccccc2)c(/C=C/c2ccc([N+](=O)[O-])cc2)n1 5606890 FHQIBAKBLAPNEL-NTCAYCPXSA-N 389.459 4.285 5 1 GIBF COc1c(O)c(Cl)c(O)c2c(=O)c3c(C)c(Cl)c(O)c(Cl)c3oc12 14769882 OBUIAOIRKBZZNB-UHFFFAOYSA-N 391.590 4.340 5 1 GIBF biogenic Cc1ccc(-n2cnc3c(sc4ncc5sc(S)nc5c43)c2=O)cc1 28827146 NXMGTJOJPFRFER-UHFFFAOYSA-N 382.495 4.202 5 1 GIBF COc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587045851 GVSLXGGRTZHRFT-UHFFFAOYSA-N 376.800 4.230 5 1 GIBF CCOC(=O)Cc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587139573 KFGNPRBCWIHSBJ-UHFFFAOYSA-N 377.759 4.036 5 1 GIBF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587258536 MPSCOCHVVQWMLS-KRWDZBQOSA-N 389.415 4.043 5 1 GIBF COc1ccc2c(ccn2CCCCOC(=O)c2cccc([N+](C)(C)C)c2)c1 26995792 MUFDIMCKSIQFAJ-UHFFFAOYSA-N 381.496 4.484 5 1 GIBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587274175 NTUQCZDCOAZREX-AWEZNQCLSA-N 377.404 4.050 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577664 UCDXSRIJIHIHJQ-RXVVDRJESA-N 393.351 4.012 5 1 GIBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ccccc4[nH]3)cc2)nc1C(F)(F)F 587117814 GUNAFYPLFUHGDV-UHFFFAOYSA-N 387.321 4.402 5 1 GIBF COc1cccc(OCc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)c1 587781004 BKHNRQWEVAIPKJ-UHFFFAOYSA-N 376.372 4.121 5 1 GIBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3O)oc12 299858802 GYUVFRWZBPGSOR-UHFFFAOYSA-N 378.380 4.345 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(F)c2)N1 587724160 FAYIYSGQUAGFIP-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2F)N1 587728833 TYEZCQCGHPTWPB-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587163273 JYAPOXUMTCIZFD-OAHLLOKOSA-N 393.216 4.024 5 1 GIBF COCCOc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587265805 RJAXUKSVJBHDGG-UHFFFAOYSA-N 382.203 4.470 5 1 GIBF CCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] 587434059 QEMNOUMCWXAUQG-VFNWGFHPSA-N 383.400 4.271 5 1 GIBF C[n+]1c(-c2ccccc2)cc2c(=Cc3ccc([N+](=O)[O-])cc3)c3ccccc3n21 263591325 WBXVUIPSHWHTOW-UHFFFAOYSA-N 380.427 4.040 5 3 GIBF CCOC1=N[C@H]2Nc3ccc(Cl)cc3N(C)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4163985 UUVRAYGXICFEBM-RCCFBDPRSA-N 386.839 4.037 5 1 GIBF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 26487428 JIALKUXTNREBNZ-UHFFFAOYSA-N 398.854 4.044 5 1 GIBF C[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128359 KLMSXNWIXJZQLZ-BYPYZUCNSA-N 392.700 4.201 5 1 GIBF O=[N+]([O-])c1cncc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587149074 FZPWSYFJCFRHTC-SFHVURJKSA-N 382.326 4.313 5 1 GIBF COc1ccc2[nH]c(C)c(Cc3c(C)[nH]c4cccc([N+](=O)[O-])c34)c(=O)c2c1 587648496 FYLHEXWSCHIMDK-UHFFFAOYSA-N 377.400 4.134 5 1 GIBF N[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586983723 HWAULEUFMJHJMY-LLVKDONJSA-N 395.644 4.130 5 1 GIBF CNc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587747416 NRJUBIOKROKMAP-VVVCHXIZSA-N 394.244 4.162 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccc([N+](=O)[O-])cc2)N1 587752897 ULPYEHAMOPIZSB-ZUZCIYMTSA-N 395.228 4.151 5 1 GIBF COc1ccc2c(CNCCCCCCO)cc3cc4c(cc3c2c1)OCO4 28706181 VVUPMYCHYSWOOY-UHFFFAOYSA-N 381.472 4.373 5 1 GIBF CCCc1c2c(=O)c(OC)ccc-2c2ccc3cc4c(cc3c2n1C)OCO4 26398051 FJRPFHYXOUBAPE-UHFFFAOYSA-N 375.424 4.486 5 1 GIBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CC[C@H]3N1 27553330 OXEOHAXVZADDOC-IYBDPMFKSA-N 392.418 4.180 5 1 GIBF COC(=O)c1cccc2nc3cc(C(=O)C(Cl)(Cl)Cl)ccc3nc12 103221455 WCQGXJDKJYATKU-UHFFFAOYSA-N 383.618 4.123 5 1 GIBF C[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569239 PSTGCGJKESXSQO-GHTZIAJQSA-N 395.342 4.317 5 1 GIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(F)ccc2F)cc1NN1CCCCC1 15936250 RHJQYTBXJXXWCH-UHFFFAOYSA-N 394.334 4.386 5 3 GIBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1-c1ccccc1 35324313 TYTROJUHNSQTDK-UHFFFAOYSA-N 398.440 4.212 5 1 GIBF CCc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)([O-])[C@@H]2N3C)c1 261141056 NCHQYWNSCTWXGR-XTJBDQBJSA-N 381.476 4.242 5 1 GIBF COC(=O)c1ccnc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c12 587272555 VHXFCLSVGXKIJF-UHFFFAOYSA-N 390.355 4.112 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2[N+](=O)[O-])N1 587718309 INKRAYSXEPXFQH-VPTHRUTESA-N 383.192 4.259 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc([N+](=O)[O-])cc2)N1 587744637 FAARUPAMXJOKOV-QGHHPUGFSA-N 379.229 4.294 5 1 GIBF COc1cc2c(oc3oc4cc(O)cc(O)c4c(=O)c32)c(CC=C(C)C)c1O 59778183 KOHGMAFQELVQRG-UHFFFAOYSA-N 382.368 4.327 5 1 GIBF biogenic COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(Cl)cc3)c[n+]12 299844686 RGFLSSVDGALIFZ-UHFFFAOYSA-O 376.823 4.291 5 1 GIBF O=C1c2ccc(O)cc2O[C@](C[N+](=O)[O-])(c2ccccc2)[C@H]1c1ccc(F)cc1 587330393 BLXYPRNHLHFKEC-RBBKRZOGSA-N 393.370 4.062 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc([N+](=O)[O-])c2)N1 587728378 DQXLVQWTVAXHAL-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF CCCc1nc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)nn1-c1ccccc1F 587156534 UTEIBHGFDYZTLV-UHFFFAOYSA-N 380.383 4.119 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc([N+](=O)[O-])c2)N1 587747422 NTIHIHYVKYZAHD-BTDLBPIBSA-N 379.229 4.294 5 1 GIBF Cc1cc(C)cc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)([O-])[C@@H]2N3C)c1 261192047 ZOEYZOHSNFBLBQ-XTJBDQBJSA-N 381.476 4.296 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc([N+](=O)[O-])cc1)CC2=O 587468984 FUNYJJLLSSYTCI-CHHLAKQQSA-N 396.443 4.189 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F 587559337 WJDRSCZAAASKCS-YLJYHZDGSA-N 399.305 4.282 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Br)c(C)c3[nH]2)c1 587262836 YMZVXASLSDNBOV-UHFFFAOYSA-N 390.237 4.472 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H](C2)C3=O 587421846 NLESDNVWLHMJCZ-HUTHGQBESA-N 380.183 4.399 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccc([N+](=O)[O-])c4)n1)[C@@H](C2)C3=O 587431494 FPLBTWWCCBXTNL-AOMKIAJQSA-N 388.379 4.154 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)N1 587753694 WIGKKIMNRAIAKA-YPMLDQLKSA-N 391.240 4.025 5 1 GIBF CSc1ccccc1-c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 45256385 SFKHIALJRLLXCQ-INIZCTEOSA-N 397.456 4.158 5 1 GIBF Cc1c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979432 COLRZXSZXDVDPT-UHFFFAOYSA-N 394.156 4.046 5 1 GIBF O=[N+]([O-])c1cnc2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 587002183 UXAKQGONSSQGMI-UHFFFAOYSA-N 399.204 4.361 5 1 GIBF COc1cc2c(=O)oc3c4c(ccc3c2c2cccc(O)c12)C[C@H](C)N[C@H]4C 31852156 JXIICUPAPXXMPH-RYUDHWBXSA-N 375.424 4.409 5 1 GIBF biogenic O=[N+]([O-])c1cnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587150502 LANLPWXEYLZJGR-QGZVFWFLSA-N 382.326 4.313 5 1 GIBF Cc1onc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c1COc1ccc(Cl)cc1 587076360 QZEZTTUUQGSSQA-UHFFFAOYSA-N 385.767 4.062 5 1 GIBF COc1ccc2c(ccn2CCCCOC(=O)c2ccc([N+](C)(C)C)cc2)c1 27081363 GBBMOKPIRIGWBY-UHFFFAOYSA-N 381.496 4.484 5 1 GIBF COc1cc2c(NCCCN(C)C)nc3c4ccncc4ccc3c2cc1OC 71295320 QOQJZMDOBOTXPP-UHFFFAOYSA-N 390.487 4.317 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(F)cc1F 587559335 WJDRSCZAAASKCS-PXNSSMCTSA-N 399.305 4.282 5 1 GIBF CC(C)N(C[C@@H](O)Cn1c2ccccc2c(=O)c2cccc(Cl)c21)C(C)C 49816743 NLHHMFUBLITWCS-MRXNPFEDSA-N 386.923 4.288 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@@H]2CC[C@@H]1N2C 169311569 VAOSRYXOQDMAAS-OFCAXSSNSA-N 380.444 4.001 5 1 GIBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587273532 DLXAWNRDAGAONU-UHFFFAOYSA-N 376.401 4.148 5 1 GIBF COc1cc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(OC)cc1Cl 587644389 AKAMEHRUTHXBAF-UHFFFAOYSA-N 389.795 4.307 5 1 GIBF O=C(c1ccc([N+](=O)[O-])cc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21 40847051 IUCOXPUWFDDCIE-UHFFFAOYSA-N 388.339 4.208 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3ccnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587265057 LGWZPRFCSSNEBF-UHFFFAOYSA-N 382.811 4.048 5 1 GIBF COc1cc2c3c(c4cc5c(cc4c2cc1OC)OCCO5)CN1CCC[C@@H]1C3 73295264 KZXPFZPLKGIQOD-CQSZACIVSA-N 391.467 4.302 5 1 GIBF Cn1c2nc3ccccc3c-2c(NCCN2CCOCC2)c2cc(Cl)ccc21 101635209 NPJOQVFGEVIYBK-UHFFFAOYSA-N 394.906 4.229 5 1 GIBF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587241495 DRBJVWDDHUJTEV-UHFFFAOYSA-N 397.391 4.421 5 1 GIBF O=C(c1ccc2c(c1)OCO2)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645608 ZOZYYDWTRBIZFF-UHFFFAOYSA-N 378.262 4.055 5 1 GIBF O=[N+]([O-])c1cn2c(n1)S[C@H](COCc1ccc(OCc3ccccc3)cc1)C2 1857640787 IRMPUCWFWRQPMC-SFHVURJKSA-N 397.456 4.061 5 1 GIBF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1)n1ccnc1 95562462 YRVOVVWXWHDPBJ-IBGZPJMESA-N 394.431 4.324 5 1 GIBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(Cl)c3[nH]2)CC1 587270755 ZYPWFDXMFAXWOF-UHFFFAOYSA-N 384.823 4.144 5 1 GIBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)cc([N+](=O)[O-])c1OC)CC2=O 587472925 OOZYXOHOHDKDAH-NRFANRHFSA-N 385.416 4.451 5 1 GIBF COc1ccc2c(=O)oc3c4c(ccc3c3ccc(O)c1c23)C[C@@H](C)N[C@@H]4C 95486320 BRQBAYCSHJEJFL-VXGBXAGGSA-N 375.424 4.409 5 1 GIBF biogenic,in-vitro CNc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746829 LJTNDDWXPGEXFK-XYZCENFISA-N 394.244 4.162 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc([N+](=O)[O-])cc32)N1 587752000 PLRGBBDYHGXYJO-MLCYQJTMSA-N 391.240 4.220 5 1 GIBF COc1ccc2c(=O)oc3c4c(ccc3c3ccc(O)c1c23)C[C@H](C)N[C@H]4C 2356704646 BRQBAYCSHJEJFL-RYUDHWBXSA-N 375.424 4.409 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1[N+](=O)[O-] 587568094 KVGBMEAOSGDQKY-PXNSSMCTSA-N 381.315 4.142 5 1 GIBF CC(C)(Oc1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)O 26403281 QVJVMOOBARCPNP-UHFFFAOYSA-N 393.783 4.134 5 1 GIBF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 103204257 NIQRSODRYNOKNE-PLMTUMEDSA-N 397.383 4.128 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2F)N1 587714988 GSZASWMUEKPVDU-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc([N+](=O)[O-])c2F)N1 587725002 AZYBLPGSAYYIBX-XYZCENFISA-N 397.219 4.433 5 1 GIBF CCC[N+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 40914413 LXBMEFHVAVNYTC-PHSANKKPSA-N 382.480 4.013 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCCC[C@H]1[C@H]3O 73295198 CMONGIHNDXAKGU-GBXCKJPGSA-N 393.483 4.420 5 1 GIBF Cc1cc(=O)oc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)c3c(c12)OC(C)(C)C=C3 169342994 SVRMZYGMHYLZAT-UHFFFAOYSA-N 396.355 4.039 5 1 GIBF C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587510271 ABFPNJDIONYNSX-NRFANRHFSA-N 381.384 4.083 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1[N+](=O)[O-] 587568092 KVGBMEAOSGDQKY-FXAWDEMLSA-N 381.315 4.142 5 1 GIBF O=C(O)CC/C=C\C[C@@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cccnc1 27758883 YXYAAPPDKDVBLS-CZMBYRBPSA-N 398.415 4.204 5 1 GIBF O=[N+]([O-])c1ccc(N2CC[C@@H](NCC[C@H](O)c3csc4ccccc34)C2)cc1 71281266 PPJGGUVOBLNDIY-QRWLVFNGSA-N 397.500 4.102 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(OCc3ccccc3)c2[nH]1 587267769 QKMYECDQSWWQKH-CQSZACIVSA-N 377.404 4.164 5 1 GIBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 587280219 OPHKTXUSODEUFZ-LLVKDONJSA-N 384.775 4.230 5 1 GIBF O=[N+]([O-])c1ccc2c(c1)[C@]1(C=CO2)c2ccsc2CCN1Cc1ccco1 962714143 QWMZMPOPRAJYEQ-FQEVSTJZSA-N 380.425 4.457 5 1 GIBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1OC 587511100 NBVNDGDOXVQGFJ-SFHVURJKSA-N 383.400 4.197 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc([N+](=O)[O-])cc2)N1 587751462 MTRHGWFFVODXMI-QGHHPUGFSA-N 379.229 4.314 5 1 GIBF O=[N+]([O-])c1ccccc1NCc1ccc(CNc2ccccc2[N+](=O)[O-])nc1 1857538961 XHTCTOFOKHOIPU-UHFFFAOYSA-N 379.376 4.122 5 1 GIBF Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174412 OBSPOCWGSBGHOA-UHFFFAOYSA-N 381.461 4.392 5 1 GIBF CCN(CC)CCNc1ccc(CN(C)C)c2sc3ccccc3c(=O)c12 100953450 XRCMQPCSWAVMEH-UHFFFAOYSA-N 383.561 4.230 5 1 GIBF O=S(=O)(/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1 586924738 UVDPLLFBYHDBHH-JLHYYAGUSA-N 386.436 4.104 5 1 GIBF COC(=O)c1ccnc2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc12 586972316 HFQNOYGEXTZWPV-UHFFFAOYSA-N 386.433 4.068 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587267039 DJMMBJSHSREKTL-SSDOTTSWSA-N 389.721 4.137 5 1 GIBF Cc1cc(Br)ccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1CC(=O)O 587644326 UUNDOPXTFKSCIO-UHFFFAOYSA-N 389.205 4.441 5 1 GIBF COc1ccc(C[C@H](C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC 587927756 XOPHMVMRVNFGPH-JTQLQIEISA-N 375.812 4.488 5 1 GIBF NC(=O)C1CCN(c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)CC1 587644722 LIMPVRYGXILXHV-UHFFFAOYSA-N 398.850 4.098 5 1 GIBF CS[C@@H]1S[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CC(C)(C)CC(=O)[C@@H]12 169369514 LNPLHXQOMCAECE-JWZBEHFJSA-N 379.503 4.204 5 1 GIBF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587116188 RXTRPJXBUWWKBT-UHFFFAOYSA-N 380.113 4.197 5 1 GIBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OC 587507224 BFNKZYFFUGRZCV-SFHVURJKSA-N 383.400 4.197 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1[N+](=O)[O-] 587557601 NPJOFDDKKQBAHP-FXAWDEMLSA-N 381.315 4.142 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 587871390 GJJLCTWVXFNZPH-CYBMUJFWSA-N 399.378 4.104 5 1 GIBF Cc1cc(C)cc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)([O-])[C@@H]2N3C)c1 14948539 ZOEYZOHSNFBLBQ-IIUCQXFBSA-N 381.476 4.296 5 1 GIBF COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1-c1cccc([N+](=O)[O-])c1 44667950 ANIKIUAKBPWSRA-UHFFFAOYSA-N 395.390 4.491 5 1 GIBF in-vitro COc1ccc(CCNc2cc(-c3ccc(C)c([N+](=O)[O-])c3)ncn2)cc1OC 82162109 KJNOTXVQAYNGQP-UHFFFAOYSA-N 394.431 4.032 5 1 GIBF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586890518 QHAOMPWWLJDWGD-QFYYESIMSA-N 390.237 4.379 5 1 GIBF Cn1cc(-c2ncc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)s2)cn1 587021849 PXGPHQVWUUVXNV-UHFFFAOYSA-N 383.440 4.183 5 1 GIBF CC(C)[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCc1ccccc1 587198722 LGRHRPOMDCNNKI-SFHVURJKSA-N 382.420 4.437 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 587267127 UJJAKKDMOKDPLJ-LURJTMIESA-N 397.178 4.254 5 1 GIBF COc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1F 587267872 SZBRAHCZTIEGOE-UHFFFAOYSA-N 395.394 4.147 5 1 GIBF C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3c(c2)OCCO3)CC1 13817971 CWPJXPVVERJSEL-UHFFFAOYSA-N 380.508 4.478 5 1 GIBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC(C)C)[C@@H]1c1ccccc1[N+](=O)[O-] 100370794 GFWNJMPBCYKROJ-GMQRBVGNSA-N 388.420 4.042 5 1 GIBF Cc1onc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c1COc1ccccc1Cl 587063764 VVYPSEVCHBPPOQ-UHFFFAOYSA-N 385.767 4.062 5 1 GIBF CN(C)/C=C\[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511818 JGNCJVBYHZSLOF-DSTYWPJMSA-N 392.455 4.410 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c([N+](=O)[O-])c2)N1 587718003 MCHZATHITDAALP-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)cnc3[nH]2)ccc1Cl 587047820 OESSCDFZFRQQLE-RQOWECAXSA-N 379.601 4.452 5 1 GIBF CCCC[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)N1CCCCC1)C2 73168973 LWLXUWUHMUVTCQ-UCWJKEELSA-N 399.599 4.340 5 1 GIBF O=[N+]([O-])c1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182989 TVEYQHKMMZONLR-UHFFFAOYSA-N 399.575 4.396 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccc1[N+](=O)[O-])O2 587378942 XCSALWWAIJAGNV-QGZVFWFLSA-N 391.221 4.129 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1F 587570351 WFXYWRFCOUNRCV-JXFKEZNVSA-N 381.315 4.142 5 1 GIBF C[C@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 101744378 LATQFWPCIRVICJ-RRQGHBQHSA-N 385.464 4.265 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2F)N1 587725274 OIMFOINBJRTANF-VPTHRUTESA-N 383.192 4.259 5 1 GIBF O=[N+]([O-])c1cccc2c(NCc3ccc(F)cc3)nc(N3CCCCC3)nc12 299828834 HKCDKWMELBPGQD-UHFFFAOYSA-N 381.411 4.280 5 1 GIBF O=[N+]([O-])c1ccc(NCc2ccc(CNc3ccc([N+](=O)[O-])cc3)nc2)cc1 1857571681 DJFLMJARKLTJFW-UHFFFAOYSA-N 379.376 4.122 5 1 GIBF CC(=O)c1c(O)c2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=Nc1ccc(F)cc1F 1857611509 MLTFVYMZQPWIJP-UHFFFAOYSA-N 393.733 4.148 5 1 GIBF CN(C)CCCn1c(=O)c2sc3cc([N+](=O)[O-])ccc3c2c2ccccc21 27519921 MPMJFMVJEMXIQZ-UHFFFAOYSA-N 381.457 4.229 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCOCN1C3 72112402 FRAATPDOXVZVKX-CQSZACIVSA-N 379.456 4.123 5 1 GIBF Cc1cc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1[N+](=O)[O-] 587875487 PAUCUXZDFLEBBT-NSHDSACASA-N 383.335 4.119 5 1 GIBF COc1ccc2c(c1)[nH]c1c2c2c(c3c1c(C)cc1ccn(C)c13)C(=O)NC2=O 13535038 DOHWEZMWGPLSGI-UHFFFAOYSA-N 383.407 4.167 5 1 GIBF O=C(CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1 587162195 IBRIKRMNWDXAEQ-UHFFFAOYSA-N 392.184 4.188 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576098 MIDVKMBCUSSCFS-NQIIRXRSSA-N 393.351 4.012 5 1 GIBF O=C(c1ccc2c(c1)OCCO2)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645339 QXVONYSXCOWXAQ-UHFFFAOYSA-N 392.289 4.097 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587745189 GTRAUBRCDVYWDW-HUTHGQBESA-N 395.228 4.129 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746766 LDMWAXBELIWGIV-BMLIUANNSA-N 379.229 4.428 5 1 GIBF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1[N+](=O)[O-])N(C)[C@@H](C)C2 962573541 SLPQVGHYTANTJF-WLRWDXFRSA-N 376.840 4.231 5 1 GIBF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc([N+](=O)[O-])cc1 103954564 QWDQOBDIMKNHRU-CQSZACIVSA-N 398.444 4.416 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc([N+](=O)[O-])c1 587568961 GRHPSOLQBJQUNE-FXAWDEMLSA-N 381.315 4.142 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577666 UCDXSRIJIHIHJQ-WIYYLYMNSA-N 393.351 4.012 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)N1 587753689 WIGKKIMNRAIAKA-MLCYQJTMSA-N 391.240 4.025 5 1 GIBF CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1nc2ccccc2[nH]1 3362838 BNHVEZWGPYIFAZ-INIZCTEOSA-N 384.461 4.004 5 3 GIBF aggregator COc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260787 FKZTYSNXDMUTOA-UHFFFAOYSA-N 396.172 4.057 5 1 GIBF CCCc1c(O)ccc2c1O[C@](C)(Cc1c([N+](=O)[O-])ccc(O)c1F)CC2=O 587465779 HJORNKDVWPNUCQ-HXUWFJFHSA-N 389.379 4.064 5 1 GIBF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccc([N+](=O)[O-])c1)CC2=O 587468093 AQQJQMITQUHPIV-GJCOWUBNSA-N 396.443 4.189 5 1 GIBF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587743544 AWSWOXJKVBSZEU-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc([N+](=O)[O-])c1F 587557095 LOASJFMTFBIZEU-UZLBHIALSA-N 399.305 4.282 5 1 GIBF O=C(/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccc(F)cc1 587166542 DKGOXOVRFGOPLF-KTKRTIGZSA-N 383.386 4.450 5 1 GIBF Cc1cncc(Oc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)n1 587279942 VMJFZONOGUARDP-UHFFFAOYSA-N 375.340 4.463 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc([N+](=O)[O-])cc12 587578248 VOJTXPKCTLWEBE-SIKLNZKXSA-N 389.363 4.104 5 1 GIBF CCN(CCCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 13738620 WRSCNTXTGKDBKY-DTQAZKPQSA-N 395.503 4.417 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccc([N+](=O)[O-])cc13)(C1CC1)O2 587391733 YADYQTFYUJLQDU-NRFANRHFSA-N 377.400 4.237 5 1 GIBF COc1cc2c(cc1O)c1c(c3cc(OC)c(OC)cc32)C[C@H]2CCC[N+]2([O-])C1 14824791 GJJJKVFZUPAURX-SGZRZGDHSA-N 395.455 4.258 5 1 GIBF COCCNc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587262128 OUOBTLWQKJMAAX-UHFFFAOYSA-N 380.326 4.215 5 1 GIBF COc1ccc([C@@H](Cc2cc([N+](=O)[O-])ccc2OC)c2csc(N)n2)cc1 40880709 PBSYABIBXNOMBJ-MRXNPFEDSA-N 385.445 4.025 5 1 GIBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]2CC[C@@H]1N2C 169369406 KLDDEIDULFIHBU-JSXRDJHFSA-N 380.444 4.001 5 1 GIBF O=[N+]([O-])c1cncc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109616 HOKKNMCJVLRQPX-UHFFFAOYSA-N 390.243 4.495 5 1 GIBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccco2)c1O 587944055 YAGDZWCDUGGNMM-UHFFFAOYSA-N 397.156 4.267 5 1 GIBF CCCN(CCC)CCOc1ccc2[nH]c3cc(F)cc(OC)c3c(=O)c2c1 1857612818 VLXNMJCDASQICX-UHFFFAOYSA-N 386.467 4.330 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c([N+](=O)[O-])c2)N1 587718000 MCHZATHITDAALP-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF CCOc1ccccc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587780413 SHSALOAFXBJJPT-UHFFFAOYSA-N 392.209 4.211 5 1 GIBF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1cccc([N+](=O)[O-])c1 103204253 JPUUZVNJMAEXEX-PLMTUMEDSA-N 397.383 4.128 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)cnc3[nH]2)c(C)c1[N+](=O)[O-] 587264658 JINLMCXTIOYPJZ-UHFFFAOYSA-N 382.811 4.048 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2F)N1 587726364 WSUNGMKZSXSDOB-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163674 RLEGCUGEDNVTIU-OKILXGFUSA-N 393.447 4.498 5 1 GIBF CCOc1cc(/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1OC(F)F 587131206 WXBHRSRLUNTTTA-GQCTYLIASA-N 376.319 4.037 5 1 GIBF COC(=O)c1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C)cn1C(=O)OC(C)(C)C 587647400 GUXXBPDFVRZJNB-UHFFFAOYSA-N 399.403 4.423 5 1 GIBF COc1c(F)ccc(F)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587132617 FWDPSQPWIFTFMZ-UHFFFAOYSA-N 384.136 4.187 5 1 GIBF O=C(c1ccccc1)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 587148142 BXRURZUNLZKZFP-UHFFFAOYSA-N 391.358 4.420 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)cc(C)c2[nH]1 587264404 RFCBZYMCYUUJQF-CYBMUJFWSA-N 383.404 4.439 5 1 GIBF C[C@@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511839 JLSIYOQZYVKKCE-QFIPXVFZSA-N 394.427 4.226 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[C@H]2CC[C@H]1N2C 137738351 LMRSIESFCISDEV-WLRLJWMZSA-N 380.444 4.001 5 1 GIBF COc1cc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] 587263092 LFXZRJLBXZSOQH-UHFFFAOYSA-N 385.273 4.217 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ncccc4[N+](=O)[O-])cc1)[C@@H](C2)C3=O 587431882 IBBZJQUGLJPSIP-KSFYIVLOSA-N 388.379 4.154 5 1 GIBF Cc1ccnc([C@@]2(c3ccc([N+](=O)[O-])cc3)NCCc3c2sc(C)c3C)c1 963014157 UIQRPZRYHFEGCP-OAQYLSRUSA-N 379.485 4.414 5 1 GIBF CCN(CC)CCn1nc2c3ccccc3sc3c(NCCN)ccc1c32 29330980 XZPXOQAUTFEAGL-UHFFFAOYSA-N 381.549 4.117 5 1 GIBF COc1cc2cc(CN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 40848218 NCLMXJAZCFLBRY-UHFFFAOYSA-N 390.439 4.349 5 1 GIBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587388567 DFXJDOOOLFEHIF-FQEVSTJZSA-N 394.383 4.461 5 1 GIBF C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572937 ANJJJGRGNFIZPZ-GHTZIAJQSA-N 377.352 4.177 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)N1 587748678 BGOIXLCLFFGFSP-MGNBDDOMSA-N 391.240 4.025 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[N+]1([O-])CCC[C@H]1[C@H]3O 14824805 SHQULSXBVKOENG-MLGOWYMSSA-N 395.455 4.043 5 1 GIBF CC(C)CN(C)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134443 LGBUVQPNAKUNRN-UHFFFAOYSA-N 397.479 4.134 5 1 GIBF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587167488 OIGTZEDXQFNTBS-HNNXBMFYSA-N 387.346 4.118 5 1 GIBF CS(=O)(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646589 WISHTQCESUDEMQ-UHFFFAOYSA-N 384.335 4.165 5 1 GIBF COc1cc2cc([C@@H]3CC[N@+](C)(Cc4ccccc4)C[C@H]3O)sc2cc1OC 261099919 GCIVIYYHFXJQEK-KHCICDEESA-N 398.548 4.414 5 1 GIBF Cc1cc2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2cc1[N+](=O)[O-] 587242347 TVFHGHIJVXHQAZ-UHFFFAOYSA-N 384.392 4.499 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc([N+](=O)[O-])cc1F 587555955 HYEFJOQOHULQRC-FXAWDEMLSA-N 399.305 4.282 5 1 GIBF CC(C)c1nn(C)c2c1[C@](C)(c1cc3c(ccc4ccccc43)oc1=O)NCC2 962922462 XGHBHYOLHAWILD-DEOSSOPVSA-N 387.483 4.212 5 1 GIBF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163675 RLEGCUGEDNVTIU-KBPBESRZSA-N 393.447 4.498 5 1 GIBF Cc1cc(N(C)Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c([N+](=O)[O-])cc1F 587136329 DGIRKYSNJNAXNJ-UHFFFAOYSA-N 384.745 4.487 5 1 GIBF C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573859 DHCHIKWKEFXFSU-RXVVDRJESA-N 377.352 4.177 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575898 LFCWSRBUSXDFNT-WIYYLYMNSA-N 377.352 4.312 5 1 GIBF COc1c(O)c(Cl)c(C)c2c(=O)c3c(O)c(Cl)c(O)c(Cl)c3oc12 2356834318 KAUMVNNNVWRHDP-UHFFFAOYSA-N 391.590 4.340 5 1 GIBF CC1(C)CCc2c(cc3c(oc(=O)c4c5cc6c(cc5oc34)OCO6)c2O)O1 59204756 CRYRNGYGSBBFAR-UHFFFAOYSA-N 380.352 4.230 5 1 GIBF biogenic O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=[S@]2c1ccc(-c2ccccc2)cc1 73162032 MRKWZKWCOFETNQ-RUZDIDTESA-N 384.438 4.184 5 1 GIBF CCCc1c(O)ccc2c1O[C@](C)(Cc1c([N+](=O)[O-])ccc(F)c1F)CC2=O 587465768 HJIOTGXNSZYFLR-HXUWFJFHSA-N 391.370 4.498 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2=O 587468829 DSIWUEIGBOVDIC-LJQANCHMSA-N 386.360 4.042 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587749077 WXSGKLVCJMGLHB-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF C[n+]1cccc(C(=O)OCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 27079796 HZASVBINLUHESC-UHFFFAOYSA-N 396.467 4.182 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccc([N+](=O)[O-])c3)n1)O2 587390536 RBCIFWJUDZNXCJ-FQEVSTJZSA-N 375.384 4.254 5 1 GIBF COc1cccc(NC(=O)c2cnc(Nc3cccc(OC)c3)c([N+](=O)[O-])c2)c1 299857661 OKOJSEUAVJWEON-UHFFFAOYSA-N 394.387 4.003 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576155 MYBSVXDJUDRSKW-NQIIRXRSSA-N 377.352 4.312 5 1 GIBF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1c[nH]c2cccc([N+](=O)[O-])c12 963054458 JHDXKRYTGCYOTC-QFIPXVFZSA-N 388.427 4.042 5 1 GIBF Cc1cc(N(C)Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c([N+](=O)[O-])cc1F 587136678 IIKBUBLHFCTGQC-UHFFFAOYSA-N 386.280 4.111 5 1 GIBF CCC[N+]12CCc3cc4c(cc3[C@@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 40404810 NBKMONXMUXILOB-XGLRFROISA-N 382.480 4.013 5 1 GIBF O=[N+]([O-])c1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Cl 587118249 LDJZOCMUYDKOFV-UHFFFAOYSA-N 385.733 4.266 5 1 GIBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(cccc3n1)CC2 587211151 MESVWGWMNYSIIO-KRWDZBQOSA-N 391.383 4.065 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[N+](=O)[O-])N1 587743421 AQKNQAOSTMWDON-QGHHPUGFSA-N 379.229 4.294 5 1 GIBF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587749832 ZQEBDOUFXCMCOA-BMLIUANNSA-N 379.229 4.428 5 1 GIBF Cn1c2nc3ccccc3c-2c(NCCCO)c2cc(Br)ccc21 103000331 QXLQMCYZONJCSO-UHFFFAOYSA-N 384.277 4.388 5 1 GIBF Cc1nn2c(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)c(-c3ccc(F)cc3)nc2s1 299868275 ZNMYTLHTLFIFNP-UHFFFAOYSA-N 394.391 4.357 5 1 GIBF COc1ccc2c(CN3CCCC[C@H]3CO)cc3cc4c(cc3c2c1)OCO4 28706151 JPSBFFDONBLBJY-KRWDZBQOSA-N 379.456 4.077 5 1 GIBF CN(C)CCCOc1ccc2cc3ccc(OCCCN(C)C)cc3nc2c1 29404340 WQBQFIHSIFUTQA-UHFFFAOYSA-N 381.520 4.049 5 1 GIBF CCOC(=O)c1c2c3ccc(S[C@H]4CCO[C@@H]4C)c4cccc(c-2nc1=O)c43 71294334 QWRVDLPBQXXSIP-ABAIWWIYSA-N 393.464 4.175 5 1 GIBF CC(=O)Nc1ccc2c(c1)c1c(sc3ccccc31)c(=O)n2CCCN(C)C 103231887 VTZCTTWOWPRCJF-UHFFFAOYSA-N 393.512 4.280 5 1 GIBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cc(Cl)ccc1Cl 587645209 ZLLRCCVGQWEBPE-UHFFFAOYSA-N 393.182 4.401 5 1 GIBF Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c3ccccc3c(=O)n(C)c12 1857633333 QZBGXCHJDCAVTK-UHFFFAOYSA-N 389.295 4.312 5 1 GIBF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@+](C)([O-])[C@@H]1N2C 253806584 MVHRCJQCKYPDRL-UWDQQESISA-N 381.476 4.242 5 1 GIBF in-vivo C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c([N+](=O)[O-])c2)N1 587719171 PEYNTNANHZWZOQ-XYZCENFISA-N 397.219 4.433 5 1 GIBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)cc2[nH]1 587055993 RUOSUOHJPHEFDB-MRXNPFEDSA-N 390.802 4.391 5 1 GIBF Cc1cc(N(C)Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c([N+](=O)[O-])cc1F 587137180 RSVGXBXBZGNNIB-UHFFFAOYSA-N 393.762 4.117 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3ccc(F)c(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587267528 MFRFXLJLJCFMNP-UHFFFAOYSA-N 383.358 4.278 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc([N+](=O)[O-])c1 587568964 GRHPSOLQBJQUNE-YLJYHZDGSA-N 381.315 4.142 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3cccc([N+](=O)[O-])c3C2)N1 587751414 MFXKJDLPFJAWAE-YPMLDQLKSA-N 391.240 4.025 5 1 GIBF CN(C(=O)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1)C1CCCCC1 61958612 DNTNWJRIAQLMCG-UHFFFAOYSA-N 395.459 4.181 5 3 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@@H](O)[C@H]1CCCN1C3 13370335 VEPWWLXWVFFRLY-XXBNENTESA-N 379.456 4.030 5 1 GIBF biogenic CC/N=c1/cc2oc3cc(NCCC(=O)OC)c4ccccc4c3nc-2cc1C 29059526 YSSRDBFOBGMWDM-ULJHMMPZSA-N 389.455 4.290 5 1 GIBF COc1ccnc(Nc2ccc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c2)n1 103248584 ACTLQAKIPJIXFZ-UHFFFAOYSA-N 386.795 4.369 5 1 GIBF CN(C)S(=O)(=O)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)o1 586930789 HBKFSTXELKWLLH-UHFFFAOYSA-N 391.452 4.380 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587089674 FZYCSZVZSJVOMY-MRVPVSSYSA-N 376.491 4.157 5 1 GIBF C[C@@]1(c2cc([N+](=O)[O-])ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557893 PSSZSRYFVQMXKV-NQIIRXRSSA-N 395.342 4.317 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587748006 RLLHVXIIBUUDDS-BMLIUANNSA-N 379.229 4.428 5 1 GIBF CCCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12 1772652378 MFWPNYUUPSPLRY-UHFFFAOYSA-N 397.276 4.370 5 1 GIBF CCOc1ccc2nc3c(O)c(Br)cc(Br)c3nc2c1 1857767909 HKOAJRLUKWHKBP-UHFFFAOYSA-N 398.054 4.412 5 1 GIBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587117162 QCXNBLPHYCLNTF-UHFFFAOYSA-N 394.140 4.350 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Br)c1[N+](=O)[O-])O2 587378047 RMZKMSXLLQKVKB-KRWDZBQOSA-N 391.221 4.129 5 1 GIBF C[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569244 PSTGCGJKESXSQO-RXVVDRJESA-N 395.342 4.317 5 1 GIBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccc(-c2ccccc2)cc1 72179016 HTSCERKQDUXGIR-ISBHARSQSA-N 391.427 4.412 5 1 GIBF C[C@@]1(c2ccncc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338495 CNTCRVCUFCHDNI-CTNGQTDRSA-N 394.358 4.109 5 1 GIBF CN(C)CCCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34 95592560 OZXJJNODTJEUTM-UHFFFAOYSA-N 388.492 4.272 5 1 GIBF O=C(Cc1ccc(Cl)cc1)c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587072740 VXYLEEUHKUMFIS-UHFFFAOYSA-N 394.612 4.312 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c([N+](=O)[O-])cccc12 587575707 KPGLMAWNFHSDBZ-KNQAVFIVSA-N 389.363 4.104 5 1 GIBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 587623286 PEYBOUNAIWIBDH-UHFFFAOYSA-N 387.193 4.396 5 1 GIBF O=[N+]([O-])c1ccc(C2=NOC3=c4ccccc4=CSC3=C2c2ccccc2)cc1 6579044 SOGCLJFVYGBBCT-UHFFFAOYSA-N 398.443 4.034 5 1 GIBF CCN(CC)CCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1 49803336 JDPVWNAJKSDUBI-UHFFFAOYSA-N 388.471 4.419 5 1 GIBF COc1c(C)cc2c([nH]c3c2sc2c3c(=O)c(C(=O)O)cn2C2CC2)c1C 71318804 LMSWOQIBAAPWOK-UHFFFAOYSA-N 382.441 4.356 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1[N+](=O)[O-] 586896994 ORKQZZUJMIHEFC-UHFFFAOYSA-N 376.328 4.419 5 1 GIBF O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])ccc3O)nc3ccc(O)c1c23 586987323 MWMSQWVNGJBRNS-UHFFFAOYSA-N 384.347 4.433 5 1 GIBF CCOc1ccc(Cl)cc1-c1cc(Nc2ccc([N+](=O)[O-])cc2)nc(N)n1 26387686 DWHPDYVWWJDUIC-UHFFFAOYSA-N 385.811 4.430 5 1 GIBF O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1[N+](=O)[O-] 103196411 NNUBNIYVTHWZCH-SFHVURJKSA-N 383.454 4.210 5 1 GIBF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587190910 PXEDRLGMYYOHIA-QGZVFWFLSA-N 382.420 4.427 5 1 GIBF N=c1ncc(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c[nH]1 587253591 BVJDUKHTQWKTFY-UHFFFAOYSA-N 389.422 4.196 5 1 GIBF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587574956 HHNDELLDQIVPHO-WIYYLYMNSA-N 377.352 4.312 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C(=O)N1CCC[C@@H]1C3 40956950 HKZFPEULQAUTQB-CYBMUJFWSA-N 377.440 4.180 5 1 GIBF Cc1cc(N(C)Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587136041 APJHTHGPJRDUCH-UHFFFAOYSA-N 384.198 4.257 5 1 GIBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)cc(Cl)c2[nH]1 587267209 GRQVWBHLUGBBGM-SSDOTTSWSA-N 384.621 4.001 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](C)(Cc1c([N+](=O)[O-])ccc(O)c1F)CC2=O 587465775 HJORNKDVWPNUCQ-FQEVSTJZSA-N 389.379 4.064 5 1 GIBF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646364 PZYJUHXHFZGSRW-UHFFFAOYSA-N 384.335 4.165 5 1 GIBF C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512309 MVYYKFQIUFLZKT-QFIPXVFZSA-N 394.427 4.226 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1[N+](=O)[O-] 587557602 NPJOFDDKKQBAHP-PXNSSMCTSA-N 381.315 4.142 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587174826 SWDRDEDHIBRGGS-ZDUSSCGKSA-N 378.157 4.049 5 1 GIBF O=C(NCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)OCc1ccccc1 587227900 CLUZEGVIVLNUNH-UHFFFAOYSA-N 397.438 4.128 5 1 GIBF COc1ccc(C[C@@H]2c3c(Br)cccc3CC[N+]2(C)C)cc1OC 13648601 WAGPOIKDRRLACT-QGZVFWFLSA-N 391.329 4.383 5 1 GIBF CCCC[N+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 40403143 CHAIWVMLWNJULV-JINQPTGOSA-N 396.507 4.403 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(COC/C=C\c3ccccc3)[nH]c12 587781510 VTGIBRCMHQLWCG-DAXSKMNVSA-N 388.221 4.464 5 1 GIBF O=C1OCC2=C1[C@@H](c1ccc(F)cc1)c1c(c3cccnc3c3ncccc13)N2 299833852 ABONMPOMCYPUQD-KRWDZBQOSA-N 383.382 4.290 5 1 GIBF O=[N+]([O-])c1cccnc1NCc1nc2cccc(OCc3ccccc3)c2[nH]1 587269623 WQIYTVOLFOMTPJ-UHFFFAOYSA-N 375.388 4.057 5 1 GIBF CCCN(CCC)CCOc1ccc2[nH]c3cc(OC)cc(F)c3c(=O)c2c1 1857564980 POFAMQYXSSFNOG-UHFFFAOYSA-N 386.467 4.330 5 1 GIBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263988 PXHQWBPLSZEENA-COXVUDFISA-N 395.484 4.375 5 1 GIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc1 587271312 AJQQDCPRHCJPHQ-UHFFFAOYSA-N 397.441 4.298 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2[N+](=O)[O-])N1 587731378 ZGJBQAJQQBTGIT-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 587871435 HFQNNXUHINHSCL-UHFFFAOYSA-N 395.346 4.431 5 1 GIBF CN(C)CCNc1ccc2nc(-c3ccccc3)n3c4ccccc4c(=O)c1c23 101336064 YZJIGAUEDKCDIC-UHFFFAOYSA-N 382.467 4.079 5 1 GIBF COc1cc(OC)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 587110301 YULFJKOPABVYRD-UHFFFAOYSA-N 381.310 4.098 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]2CC[C@H]1N2C 29474456 KLDDEIDULFIHBU-BQJUDKOJSA-N 380.444 4.001 5 1 GIBF COc1ccc2c(=O)c3c(sc2c1)c1cc(OC)ccc1n3CCCN(C)C 43012251 JXSXCLAWRUSVHV-UHFFFAOYSA-N 396.512 4.338 5 1 GIBF O=C1c2ccccc2-c2cc(-c3ccc(O)c([N+](=O)[O-])c3O)nc3cccc1c23 587104427 HCJWEABLRWVUIX-UHFFFAOYSA-N 384.347 4.433 5 1 GIBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263989 PXHQWBPLSZEENA-KBRIMQKVSA-N 395.484 4.375 5 1 GIBF COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510658 BXYJLDKVNYAZKD-JOCHJYFZSA-N 379.412 4.289 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c([N+](=O)[O-])c2)N1 587720226 ROURKBUWUJTBKQ-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576750 PNHOSIMRMLYMQH-DENIHFKCSA-N 391.379 4.486 5 1 GIBF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc([N+](=O)[O-])cc1 103175623 VGOZHEKIVYKBQV-GOSISDBHSA-N 395.440 4.455 5 1 GIBF O=[N+]([O-])c1cc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1 1772621828 AOWYMQMHNBSCHW-UHFFFAOYSA-N 392.780 4.499 5 1 GIBF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C[N+](C)(CCO)CCO 299839501 YKROYXFJBMZFEI-CCDWMCETSA-N 388.616 4.252 5 1 GIBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cc(Cl)ccc1Cl 587644610 HQGFAFWQQMRBOU-UHFFFAOYSA-N 393.182 4.401 5 1 GIBF C[C@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1([N+](=O)[O-])c1ccccc12 40914208 JWCDMSLSJHQHNS-VZDHWGDASA-N 391.452 4.157 5 1 GIBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](n1ccc([N+](=O)[O-])n1)CCC3 587104312 GIQCFOJGQIWCIO-GOSISDBHSA-N 396.406 4.477 5 1 GIBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cc1 587271501 DHUMGBSJTAMOAN-UHFFFAOYSA-N 375.384 4.465 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cc4)o1)[C@@H](C2)C3=O 587434799 ZUAYHVCPYHAEOQ-YCRPNKLZSA-N 377.352 4.352 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2[N+](=O)[O-])N1 587727912 CLARWBFNKNSJLT-VPTHRUTESA-N 383.192 4.259 5 1 GIBF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587058784 JERCOLAVZWIFOS-NSHDSACASA-N 395.644 4.130 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC[N+](=O)[O-])(c2ccccc2)N1 587743358 DLSPOGROCLWFKB-KZULUSFZSA-N 393.256 4.033 5 1 GIBF C[C@]1(c2cccc([N+](=O)[O-])c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566977 CRMJULKTYAHBFK-LAUBAEHRSA-N 395.342 4.317 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587749801 ZJPZCCBBIIZGMC-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF Cc1ccc2cc(-c3ccc(I)c([N+](=O)[O-])c3)cn2c1 68584931 RUMIKARLYPYHPM-UHFFFAOYSA-N 378.169 4.428 5 1 GIBF biogenic NC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 299871772 ZFLHPDLHBYLXTE-UHFFFAOYSA-N 398.469 4.231 5 1 GIBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587269233 TXQVYENPUXEFME-UHFFFAOYSA-N 375.388 4.057 5 1 GIBF Cc1ccc(S(=O)(=O)CCCC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 587280274 QSDOFXPSYGPOJO-UHFFFAOYSA-N 387.413 4.086 5 1 GIBF CC(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)NSc1ccccc1[N+](=O)[O-] 95594618 ZLNNIKFQADJCCC-KRWDZBQOSA-N 399.472 4.236 5 1 GIBF O=c1oc2c3ccc4ccccc4c3n(CCN3CCOCC3)c2c2ccccc12 31830110 OSSRUGWUZPBCIW-UHFFFAOYSA-N 398.462 4.386 5 1 GIBF COc1cc2c3c(c4ccc(OC(C)=O)cc4c2cc1OC)C[C@@H]1CCCN1C3 72125142 YTQKQIIGESTPDU-HNNXBMFYSA-N 391.467 4.456 5 1 GIBF Cc1cc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2cc1[N+](=O)[O-] 587083059 ZSKLMPTXNBYVPW-UHFFFAOYSA-N 383.795 4.333 5 1 GIBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2cc([N+](=O)[O-])ccc12 587643626 HBXLQDMEVJMKGS-UHFFFAOYSA-N 392.165 4.428 5 1 GIBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262954 ILCIJESVFQAVEK-COXVUDFISA-N 379.416 4.016 5 1 GIBF C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572938 ANJJJGRGNFIZPZ-NQIIRXRSSA-N 377.352 4.177 5 1 GIBF O=C(c1n[nH]c(=S)o1)n1c(=O)c2ccccc2c2c3cc(Cl)ccc3[nH]c21 98082245 QBMSTNXJMNVNJK-UHFFFAOYSA-N 396.815 4.023 5 1 GIBF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587743902 BYUMQQATYNGYBV-XXFAHNHDSA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587173757 ISZDDEMUKJLHAA-GFCCVEGCSA-N 378.157 4.049 5 1 GIBF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)c([N+](=O)[O-])c31)CC2=O 587472061 XGMPPLOYWTVLRZ-OAQYLSRUSA-N 383.400 4.068 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC[N+](=O)[O-])(c2ccccc2)N1 587744067 GEMRZBHTHRHTJP-KZULUSFZSA-N 393.256 4.033 5 1 GIBF O=S(=O)(/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1 586923961 BWZHUTWGRZOHQS-KHPPLWFESA-N 386.436 4.104 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1[N+](=O)[O-] 587032369 IOYOTMUEOHNKSS-UHFFFAOYSA-N 395.400 4.387 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587433083 NGVFIRDYZCWQOH-KSFYIVLOSA-N 394.427 4.082 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(F)c1 587552977 DIIWSGGQERQXRE-PXNSSMCTSA-N 381.315 4.142 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2F)N1 587715405 HOYHBKAJSXKBIE-HUTHGQBESA-N 397.219 4.433 5 1 GIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@H]1[C@H]3O 1772632162 RJEFIRXCTLAIQK-WMZHIEFXSA-N 379.456 4.117 5 1 GIBF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2=O 587470878 MSARHJNRSKBWCL-KRWDZBQOSA-N 395.371 4.009 5 1 GIBF Cc1cc2c(cc1C(=O)c1ccccc1)[n+]([O-])c1cc(Cl)c(Cl)cc1[n+]2[O-] 27214313 DXIDJKGXSOVGIJ-UHFFFAOYSA-N 399.233 4.106 5 1 GIBF CS[C@@H]1S[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2CC(C)(C)CC(=O)[C@@H]21 40860769 LNPLHXQOMCAECE-JSQNDZKTSA-N 379.503 4.204 5 1 GIBF COc1ccccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1OC 101420137 SGGVUQRMUNHHRK-WOJBJXKFSA-N 396.551 4.347 5 1 GIBF O=[N+]([O-])c1cc(/C=C/c2nc3cncc(Br)c3[nH]2)ccc1Cl 587048539 XATSDYFVNPBYEW-DUXPYHPUSA-N 379.601 4.452 5 1 GIBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cc(F)c3[nH]2)c1 587262455 UIUBMSIWWIQZAP-UHFFFAOYSA-N 394.200 4.303 5 1 GIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)nc4[nH]3)c2)c1 587270842 VBAKATQXJAANHM-UHFFFAOYSA-N 396.204 4.358 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587745192 GTRAUBRCDVYWDW-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF O=C(Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1)C1CC1 13660913 DZYZTAAFGGAFMW-UHFFFAOYSA-N 380.385 4.361 5 3 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)nc2[nH]1 587266653 MKHCUECEIZQRSN-LURJTMIESA-N 397.178 4.254 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587269006 GUDCLILHHOJQHY-UHFFFAOYSA-N 378.219 4.440 5 1 GIBF Cc1c(-c2nc3cccc(I)c3[nH]2)cccc1[N+](=O)[O-] 587260771 DTWPURVIMFLKJN-UHFFFAOYSA-N 379.157 4.051 5 1 GIBF C[C@@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511097 DKQGKYFPOSXQGU-FQEVSTJZSA-N 382.372 4.262 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc([N+](=O)[O-])c1F 587557094 LOASJFMTFBIZEU-OXQOHEQNSA-N 399.305 4.282 5 1 GIBF COc1ccc(C=O)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1OC 587787755 YAUBIPDDAMCEID-UHFFFAOYSA-N 384.395 4.156 5 1 GIBF Nc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc3c(cc12)CCCCC3 197699502 XMYGGUZSZHRSQB-UHFFFAOYSA-N 382.445 4.308 5 1 GIBF Cc1cc(F)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 587266979 DBTMWKFICVXSPB-UHFFFAOYSA-N 379.395 4.447 5 1 GIBF O=[N+]([O-])c1cn2c(n1)S[C@@H](COCc1ccc(OCc3ccccc3)cc1)C2 1857640786 IRMPUCWFWRQPMC-GOSISDBHSA-N 397.456 4.061 5 1 GIBF C[C@]1(C(=O)Nc2nccs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12 40914873 KEWCYYFXAJWDRP-SGDIKTSBSA-N 391.452 4.157 5 1 GIBF O=C1C2=C(CCCC2)[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 141999010 GKVKEEXMNXMBOF-OAQYLSRUSA-N 398.846 4.306 5 1 GIBF COCCNc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587262321 RAYVRRKIJDYVDJ-UHFFFAOYSA-N 380.326 4.215 5 1 GIBF COc1ccc(C(=O)OC2(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 1857573224 ZAEBVBKRPNSOPI-UHFFFAOYSA-N 398.415 4.102 5 1 GIBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1cccs1)c1cccc(F)c1F 28466231 LAHBSJSXWUJLNC-KRWDZBQOSA-N 379.388 4.246 5 1 GIBF COc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccc4[nH]ccc4c3)n2)cc1 64521208 MHXFFMPMPXHOMM-UHFFFAOYSA-N 376.376 4.362 5 1 GIBF CCc1cnc(-c2cnc(NCCCOC)nc2-c2cccc([N+](=O)[O-])c2)s1 82163458 VGGHSGHLTPCBKW-UHFFFAOYSA-N 399.476 4.186 5 1 GIBF CC(=O)Oc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)cc(C(C)C)cc1C(C)C 95561020 VLUAZLLLNSIGIQ-UHFFFAOYSA-N 391.449 4.476 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@H]2CC[C@H]1N2C 253634725 VAOSRYXOQDMAAS-DWIQEWEKSA-N 380.444 4.001 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2F)N1 587714469 GEHNHONCWDAXJP-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2F)N1 587715409 HOYHBKAJSXKBIE-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF C[C@@]12CCCC(COC(=O)c3cccc([N+](=O)[O-])c3)=C1C(=O)O[C@H]2c1ccoc1 103206713 NINRSBRBCNFXEL-GHTZIAJQSA-N 397.383 4.130 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)O2 587390845 RXLDHESNQTUQNY-HXUWFJFHSA-N 381.432 4.182 5 1 GIBF O=[N+]([O-])c1ccccc1N1CCN(CCCCOc2ccc3c(c2)CCC3)CC1 26504901 FVGAICSKBLELGL-UHFFFAOYSA-N 395.503 4.065 5 1 GIBF CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135834 KMAKQTMIDFVDIT-OAHLLOKOSA-N 397.479 4.134 5 1 GIBF CCCC[N@@+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253665456 CHAIWVMLWNJULV-NLFFAJNJSA-N 396.507 4.403 5 1 GIBF Nc1ccc([N+](=O)[O-])c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988084 YCTOHHZTKIRFEJ-UHFFFAOYSA-N 383.363 4.309 5 1 GIBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cnc4[nH]3)c2)c1 587270981 ZIGYHACGUZTQFA-UHFFFAOYSA-N 396.204 4.358 5 1 GIBF CCC[N+]12CCc3cc4c(cc3[C@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 40404813 NBKMONXMUXILOB-PHSANKKPSA-N 382.480 4.013 5 1 GIBF COCCOc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587266516 ZNAAYAFQHOCAMV-UHFFFAOYSA-N 397.309 4.062 5 1 GIBF O=C(O)c1ccccc1/C=C\c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586882403 RSLCZUZJGYGXNE-YVMONPNESA-N 388.177 4.102 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1[N+](=O)[O-] 587568096 KVGBMEAOSGDQKY-XLIONFOSSA-N 381.315 4.142 5 1 GIBF Cn1c(=O)n(-c2c3ccccc3c(Cl)c3ccccc23)n(C(C)(C)C)c1=O 1652838 INBBOFPYFCXYBM-UHFFFAOYSA-N 381.863 4.053 5 1 GIBF COc1ccc2c(c1)CC[C@@](N)(c1nc3c4cccnc4c4ncccc4c3[nH]1)C2 587247649 VZMUYRQKRFGBFB-DEOSSOPVSA-N 395.466 4.011 5 1 GIBF COCCNc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587262561 XGIFCLRSNOXWEM-UHFFFAOYSA-N 396.325 4.095 5 1 GIBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587264338 LVQOXCATSMHXLL-INIZCTEOSA-N 390.399 4.212 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2[N+](=O)[O-])N1 587732366 MYHFRFRDBMMZFR-HUTHGQBESA-N 397.219 4.433 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccc([N+](=O)[O-])cc2)N1 587750927 KMCMVSPWEWHRNZ-QGHHPUGFSA-N 395.228 4.151 5 1 GIBF CC(C)(Oc1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)O 26399232 XIOPROXUSNJVKX-UHFFFAOYSA-N 393.783 4.134 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@@H]1[C@H]3O 32275474 LAWAARLALKUFQQ-AUSIDOKSSA-N 379.456 4.030 5 1 GIBF biogenic,in-vitro CCC(=O)[C@H]1[C@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 253633638 JYGCGYZVYIDMNS-HVSHLEFESA-N 382.460 4.302 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587749802 ZJPZCCBBIIZGMC-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1ccc(Cn2cc(COc3ccc(-c4ccccc4)cc3)nn2)cc1 1772642149 VHVLKFJXIFDGSD-UHFFFAOYSA-N 386.411 4.481 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 1857553254 ZZRBGIKFCUBUQC-UHFFFAOYSA-N 375.233 4.035 5 1 GIBF CCCCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])s3)O2)cc1 73142192 QDKWNRAXFCTRLA-GOSISDBHSA-N 389.433 4.074 5 1 GIBF O=C(Cc1ccccc1)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 1857569491 NPOYFDGDAINXJQ-UHFFFAOYSA-N 382.416 4.022 5 1 GIBF Cc1cc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2cc1[N+](=O)[O-] 587203928 QMMZFZLOGXLFAS-UHFFFAOYSA-N 395.419 4.297 5 1 GIBF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1ccc(F)c([N+](=O)[O-])c1 962372629 IZIXKYCTCHPRTB-HXUWFJFHSA-N 385.464 4.456 5 1 GIBF O=C(O)CC/C=C\C[C@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cccnc1 27758894 YXYAAPPDKDVBLS-UWZVJJBGSA-N 398.415 4.204 5 1 GIBF CS(=O)(=O)c1ccc(-c2cc(C(=O)O)c3ccc4ccccc4c3n2)cc1 45254673 YBLFBBGJHIUGBI-UHFFFAOYSA-N 377.421 4.157 5 1 GIBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1Cl 587050990 WJRVRIDWLNZJTJ-ZZXKWVIFSA-N 398.850 4.127 5 1 GIBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc([N+](=O)[O-])c1C 587868838 UTCYOYGAFRMUGG-UHFFFAOYSA-N 378.310 4.178 5 1 GIBF CCOC(=O)C1=C(C)NC(c2ccc(C)cc2)=C[C@@H]1c1ccccc1[N+](=O)[O-] 169348109 GRIPLABMJDOAPW-GOSISDBHSA-N 378.428 4.468 5 1 GIBF CCOC(=O)Cc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587047525 JZMLIAUQSBVQDD-VMPITWQZSA-N 385.807 4.401 5 1 GIBF Nc1cccc(Sc2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1ccccc1O 1857542370 RTGQQHAMWFDGOV-UHFFFAOYSA-N 381.413 4.286 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc([N+](=O)[O-])c2)N1 587747394 NNGYREVLNOMJPZ-BTDLBPIBSA-N 379.229 4.294 5 1 GIBF CCN1C(=O)C[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccccc1Cl 587061134 KQRXPFJIEPDWSE-XIKOKIGWSA-N 384.823 4.202 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Cl 587075885 MAEQLZKNFBDXQJ-UHFFFAOYSA-N 375.175 4.026 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)c(F)cc2[nH]1 587264753 SMSVWUUEPDVTFE-SECBINFHSA-N 391.330 4.101 5 1 GIBF O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 587280430 WTKSDAMMEAHKDS-UHFFFAOYSA-N 380.234 4.499 5 1 GIBF C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577691 UFPXFEALOVNOTF-NQIIRXRSSA-N 377.352 4.177 5 1 GIBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(I)cc3)c(O)c12 587645756 JLKPHDJIFOSGAO-UHFFFAOYSA-N 380.141 4.053 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016523 MMYHUBDFUXAHQG-LLVKDONJSA-N 395.238 4.209 5 1 GIBF Cc1nn(Cc2ccccc2-c2nc3cc(F)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267734 PNMLRAJZGZRNKC-UHFFFAOYSA-N 383.358 4.278 5 1 GIBF Cn1c(=O)c2cc3ccc4c(c3cc2c2ccc3cc5c(cc3c21)OCO5)OCO4 238749320 HZQUXGMAFWONCE-UHFFFAOYSA-N 397.386 4.456 5 1 GIBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587273013 CNMSHTAWTOXXGH-ZETCQYMHSA-N 389.721 4.023 5 1 GIBF COC(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2n1 587273019 YVUQSUYGDHZUQX-UHFFFAOYSA-N 390.355 4.112 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(F)cc1[N+](=O)[O-])O2 587381370 IFYLVWUCLGFGOM-OAHLLOKOSA-N 395.184 4.094 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575894 LFCWSRBUSXDFNT-NQIIRXRSSA-N 377.352 4.312 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743535 AVLHAZJFGTZPDK-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF Cc1cc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1[N+](=O)[O-] 587043549 RNKUGQYHNSRTSD-OAHLLOKOSA-N 388.836 4.088 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc([N+](=O)[O-])cc1F 587555957 HYEFJOQOHULQRC-PXNSSMCTSA-N 399.305 4.282 5 1 GIBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587076274 UDXTXTTXHIKXIG-UHFFFAOYSA-N 398.766 4.194 5 1 GIBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(F)c2)c1 587138987 YSRHEWHZHPHLFV-UHFFFAOYSA-N 396.309 4.177 5 1 GIBF O=C(CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1 587163919 VJNZFZPJJGKYJA-UHFFFAOYSA-N 392.184 4.188 5 1 GIBF CC1=CC(C)=[N+]2[C@H]1[C@H](c1ccc([N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 1857769520 NLJLGVMJANUWRJ-LEWJYISDSA-N 384.303 4.472 5 1 GIBF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66103583 LCURVIQHVBRAPQ-NRFANRHFSA-N 394.814 4.098 5 1 GIBF Cc1oc2c(c1-c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)C(=O)CCC2 586902600 CZWCSQYISQRNLW-UHFFFAOYSA-N 390.193 4.321 5 1 GIBF COc1ccc2c(c1OC)[C@@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)N(C)[C@H](C)C2 962642542 ZBRSGANPFHTRGE-MPBGBICISA-N 390.867 4.405 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccc([N+](=O)[O-])cc2)N1 587750922 KMCMVSPWEWHRNZ-BMLIUANNSA-N 395.228 4.151 5 1 GIBF CCCOc1ccc2c(=O)c3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3oc2c1 12405801 MRDFDIAULXOUSM-UHFFFAOYSA-N 379.372 4.137 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1[N+](=O)[O-] 587093945 VMAZYUQDVXOHFZ-UHFFFAOYSA-N 399.310 4.096 5 1 GIBF COc1cc2cc3c4c(cccc4c2c(OC)c1O)C(=O)N3CCCCN(C)C 27104294 TVBOUNWOELXUHG-UHFFFAOYSA-N 394.471 4.018 5 1 GIBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587147802 RXXYOMBBTNFZFO-UHFFFAOYSA-N 389.749 4.470 5 1 GIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(F)cc(Br)c2[nH]1 587159783 YLWPXODWTIYUGP-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF C[C@]1(c2cccc([N+](=O)[O-])c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566976 CRMJULKTYAHBFK-DYESRHJHSA-N 395.342 4.317 5 1 GIBF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587745740 IIXALWFJPGBBLO-XYZCENFISA-N 395.228 4.129 5 1 GIBF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587511272 OMJRAVOSYZJYKV-NRFANRHFSA-N 383.400 4.068 5 1 GIBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] 587746046 ITOFQIOCHHBFIH-HUTHGQBESA-N 395.228 4.129 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2[N+](=O)[O-])N1 587723295 WPDATZOWGNUDIH-ZKANADHPSA-N 383.192 4.259 5 1 GIBF O=C1c2ccc(O)cc2O[C@@](C[N+](=O)[O-])(c2ccccc2)[C@@H]1c1ccc(F)cc1 587330390 BLXYPRNHLHFKEC-IRLDBZIGSA-N 393.370 4.062 5 1 GIBF CCCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)c2ccccc2[N+](=O)[O-])n1 13588010 OBVQLQNNURKQES-IBGZPJMESA-N 376.416 4.215 5 1 GIBF Cc1ccc(C[C@H]2CCOC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)cc1 1857619570 BIFYTURICGPXBT-GOSISDBHSA-N 398.459 4.140 5 1 GIBF COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)CN1CCC[C@H]1C3 238743576 VFAKARQGHXFSFM-ZDUSSCGKSA-N 379.456 4.245 5 1 GIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587269531 DGYYYZBEKPEREI-LBPRGKRZSA-N 395.644 4.130 5 1 GIBF C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587510274 ABFPNJDIONYNSX-OAQYLSRUSA-N 381.384 4.083 5 1 GIBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2cccc([N+](=O)[O-])c12 587644655 JWZWLSAZTYMPGV-UHFFFAOYSA-N 389.751 4.481 5 1 GIBF CCC[N@@+]12CCc3cc4c(cc3[C@@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 253666642 NBKMONXMUXILOB-CYFREDJKSA-N 382.480 4.013 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc([N+](=O)[O-])cn3)cc1)O2 587388416 BEBDYIMUSQDRIU-HXUWFJFHSA-N 375.384 4.254 5 1 GIBF COC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644267 SFHFEQGHQUGEQS-UHFFFAOYSA-N 375.178 4.292 5 1 GIBF COc1cc2cc([C@H]3CC[N+](C)(Cc4ccccc4)C[C@H]3O)sc2cc1OC 40538140 GCIVIYYHFXJQEK-ZJWBFHOUSA-N 398.548 4.414 5 1 GIBF Cc1c(O)cc2oc3c4c(c(C)c(O)c3c(=O)c2c1[C@H](C)[C@H](C)O)[C@H](C)[C@H](C)O4 2356800983 QJDBIQCTKLKBFF-PNZRWIHMSA-N 398.455 4.343 5 1 GIBF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587434239 RWGKTCRDQHTCTD-CVDCTZTESA-N 387.391 4.295 5 1 GIBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N(C)C 4295650 PHWDDUXYNJWWGG-IAGOWNOFSA-N 381.860 4.350 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@@H]2CC[C@H]1N2C 29477605 VAOSRYXOQDMAAS-QAKNJHSXSA-N 380.444 4.001 5 1 GIBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)o1 587264133 BZMULYRBLGEDQB-UHFFFAOYSA-N 375.266 4.207 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc([N+](=O)[O-])cc1F 587555961 HYEFJOQOHULQRC-YLJYHZDGSA-N 399.305 4.282 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2F)N1 587727271 NEGQWFDFRGUDBC-ZKANADHPSA-N 383.192 4.259 5 1 GIBF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587747796 QCWVXKRZBHGFDX-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF COc1ccc2oc3c4ccccc4oc(=O)c3c2c1CN1CCCCC1=O 1857608882 WONFVYURTUQYJQ-UHFFFAOYSA-N 377.396 4.214 5 1 GIBF C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc([N+](=O)[O-])s3)ccc2o1 13674353 FMVGVBQNUFKJOR-CYBMUJFWSA-N 386.477 4.436 5 1 GIBF Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCCN)c4c21)CNC3=O 14944022 YDMFMASUROFRIE-UHFFFAOYSA-N 382.467 4.032 5 1 GIBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccc(Cl)cc1Cl 72179811 UQQHDCSTTPFQHE-RWCYGVJQSA-N 384.219 4.052 5 1 GIBF N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccccc1Cl 587056542 IPNVRMRYHYXQGF-LLVKDONJSA-N 395.644 4.130 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(F)c2)N1 587725516 QRVICCOQSIHELO-BCTVWOGZSA-N 383.192 4.259 5 1 GIBF CCOC1=N[C@H]2Nc3ccc(Cl)cc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4163987 UUVRAYGXICFEBM-OKZBNKHCSA-N 386.839 4.037 5 1 GIBF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@+](C)([O-])[C@H]1N2C 685933128 MVHRCJQCKYPDRL-JLRUASKGSA-N 381.476 4.242 5 1 GIBF in-vivo O=[N+]([O-])c1sccc1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962635405 IUUCPGXDTCDGHL-RXVVDRJESA-N 391.496 4.493 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1F 587570327 VIIPHOQYAKPEIY-PXNSSMCTSA-N 381.315 4.142 5 1 GIBF O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2c(Br)cccc2c1O 169323597 WEYRQVQOILESKH-UHFFFAOYSA-N 387.189 4.468 5 1 GIBF O=c1oc2cc(OCCCCc3ccc(Cl)cc3)ccc2c(O)c1[N+](=O)[O-] 169337558 UQGOGKXYMPLXKW-UHFFFAOYSA-N 389.791 4.462 5 1 GIBF COc1ccc([C@@H]2NC(=S)Nc3c2c(=O)oc2c3ccc3ccccc32)cc1 6484522 ZTZZIVRNXTXKNC-SFHVURJKSA-N 388.448 4.344 5 1 GIBF Oc1ccc(C2(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CCOCC2)cc1 586911931 AYCQNGPNBIXXQQ-UHFFFAOYSA-N 396.450 4.461 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1[N+](=O)[O-] 587135867 HAYOLRXLIVFTIC-UHFFFAOYSA-N 399.107 4.087 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(COC/C=C\c3ccccc3)[nH]c12 587780847 KEJABNGRDFRSTJ-DAXSKMNVSA-N 388.221 4.464 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@@H](O)[C@H]1CCC[N@@+]1([O-])C3 253666475 LDYKNAJDTNPEPC-VEXUSMLFSA-N 395.455 4.043 5 1 GIBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587389100 JAVIHKGATWLNJZ-FQEVSTJZSA-N 394.383 4.461 5 1 GIBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587745501 HJEBVZMEBVIBOH-XLFHBGCDSA-N 395.228 4.129 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[N+]1([O-])CCC[C@H]1[C@@H]3O 14824803 SHQULSXBVKOENG-OSAZCDQKSA-N 395.455 4.043 5 1 GIBF biogenic,in-vitro COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](O)[C@@H]1CCCCN1C3 14947650 KKXLHPYVIGADHN-GBXCKJPGSA-N 393.483 4.420 5 1 GIBF biogenic CN(C)CCn1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21 64549002 HSXZNRREUGFJPS-UHFFFAOYSA-N 394.478 4.327 5 1 GIBF O=[N+]([O-])c1cn(C[C@@H](OCc2cc(F)cc(F)c2)c2ccc(F)cc2F)cn1 66078762 PLIBEHNHOAUQJF-QGZVFWFLSA-N 395.312 4.306 5 1 GIBF COC(=O)[C@H]1[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@H]2CC[C@H]1N2C 253700434 KLDDEIDULFIHBU-MHTWAQMVSA-N 380.444 4.001 5 1 GIBF Cc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cccc1[N+](=O)[O-] 587261040 QKMSIOWEXOQOOK-UHFFFAOYSA-N 377.154 4.117 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587421350 PMOYXVPRENTQME-SJCJKPOMSA-N 379.290 4.111 5 1 GIBF C[C@@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(F)cc2)cc1 72123608 RYHCDBLVVKUWFC-ACJLOTCBSA-N 383.379 4.136 5 1 GIBF C[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275294 BKIURUSXLAWEFJ-ZCFIWIBFSA-N 393.247 4.315 5 1 GIBF O=C(c1ccc([N+](=O)[O-])cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988077 XUVWLBNOQJEITR-UHFFFAOYSA-N 396.358 4.291 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1[N+](=O)[O-] 587557603 NPJOFDDKKQBAHP-XLIONFOSSA-N 381.315 4.142 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578315 VWZQHFBMMUVRQH-NQIIRXRSSA-N 377.352 4.312 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(F)c2)N1 587725518 QRVICCOQSIHELO-VPTHRUTESA-N 383.192 4.259 5 1 GIBF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587746743 KZKDBSPZGKGTHI-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccc([N+](=O)[O-])cc2)N1 587752895 ULPYEHAMOPIZSB-BONVTDFDSA-N 395.228 4.151 5 1 GIBF O=Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cc3ccc(Cl)cc3)nn12 299833786 WMXYSXPLTBGJTH-UHFFFAOYSA-N 398.831 4.423 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1[N+](=O)[O-] 587021332 IEQXBTNJFZMWOZ-UHFFFAOYSA-N 381.373 4.094 5 1 GIBF COc1c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c(C)c1[N+](=O)[O-] 587376167 QJHICOQSGFVTBW-LJQANCHMSA-N 390.823 4.336 5 1 GIBF O=C(Nc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1)c1ccccn1 1857550740 UKMDLXMWNAOQJX-UHFFFAOYSA-N 393.428 4.051 5 1 GIBF O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOCc1ccc(-c3ccccc3)cc1)CC2 473084185 FURFIUREKSRFLW-LJQANCHMSA-N 379.416 4.216 5 1 GIBF O=c1c2ccccc2n2c3nc4ccccc4c-3nnc2n1-c1ccc(Cl)cc1 101697981 NHEITWCTCAWEDJ-UHFFFAOYSA-N 397.825 4.340 5 1 GIBF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587574958 HJIXEQRTCSCUTB-LAUBAEHRSA-N 393.351 4.012 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743538 AVLHAZJFGTZPDK-XYZCENFISA-N 395.228 4.129 5 1 GIBF O=[N+]([O-])c1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1F 587110236 XCYTWAFWCWJPSD-UHFFFAOYSA-N 384.245 4.128 5 1 GIBF O=C(c1ccc2c(c1)OCO2)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645002 GWUDBHUCRIOLHS-UHFFFAOYSA-N 378.262 4.055 5 1 GIBF CCOC(=O)N1CCN(C(=O)/C=C/c2c3ccccc3cc3ccccc23)CC1 103238208 IYRJIIMFVYIBHM-VAWYXSNFSA-N 388.467 4.307 5 1 GIBF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 473123212 LFMPPZAVVALQBN-GOSISDBHSA-N 393.472 4.179 5 1 GIBF CCCCc1cc(=O)oc2cc(OCc3nc4cccc([N+](=O)[O-])c4[nH]3)ccc12 586919146 VULGCXJEVPEBJW-UHFFFAOYSA-N 393.399 4.499 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016524 MMYHUBDFUXAHQG-NSHDSACASA-N 395.238 4.209 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc([N+](=O)[O-])cc2)N1 587745520 HLCJQRMBUICPQD-DYZYQPBXSA-N 379.229 4.294 5 1 GIBF COc1ccc2c(c1OC)[C@@]1(CCCc3c([N+](=O)[O-])cccc31)N(C)[C@@H](C)C2 962621535 HDUGUZOSIYRSGL-FPTDNZKUSA-N 382.460 4.068 5 1 GIBF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163512 VPYIXCASRBLSIN-UHFFFAOYSA-N 381.436 4.416 5 1 GIBF O=[N+]([O-])c1cccc(CCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 587270708 QTSIQLVKHIBUGC-UHFFFAOYSA-N 381.617 4.067 5 1 GIBF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587574955 HHNDELLDQIVPHO-RXVVDRJESA-N 377.352 4.312 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2[N+](=O)[O-])N1 587723293 WPDATZOWGNUDIH-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF O=Cc1cc(Br)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 586983263 XVOGJQUGVXHWJA-UHFFFAOYSA-N 380.585 4.367 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578316 VWZQHFBMMUVRQH-RXVVDRJESA-N 377.352 4.312 5 1 GIBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(C)cc1[N+](=O)[O-] 587862782 JJCVWVWPEIXMIH-UHFFFAOYSA-N 378.310 4.178 5 1 GIBF CC(=O)O[C@H]1Cc2c(c3ccccc3c3nc4c(nc23)CCCC4)OC1(C)C 40764336 MVLBBSKZTGHXRO-IBGZPJMESA-N 376.456 4.307 5 1 GIBF C[C@@]1(C(=O)Nc2nccs2)CC2([N+](=O)[O-])c3ccccc3C1c1ccccc12 40914875 KEWCYYFXAJWDRP-TWMPVWRBSA-N 391.452 4.157 5 1 GIBF COc1c(OC(C)=O)cc(C)c2cc3ccc(OC(C)=O)c(OC(C)=O)c3cc12 238761728 HNIXJTFKYAOWTA-UHFFFAOYSA-N 396.395 4.086 5 1 GIBF Cc1cc(Br)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 587158216 AARAKKHTZUVJMY-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 587261455 BTUJWKIFBKAWRE-SNVBAGLBSA-N 389.795 4.476 5 1 GIBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(O)c([N+](=O)[O-])c1)CC2=O 587473095 PUVCJLRTKMQALW-QGZVFWFLSA-N 387.388 4.064 5 1 GIBF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[C@H]2CC[C@H]1N2C 100862081 LMRSIESFCISDEV-GFOJFJKKSA-N 380.444 4.001 5 1 GIBF Cc1c(Br)cnc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc12 587139612 LYPYDNZRVHVMHF-UHFFFAOYSA-N 385.580 4.397 5 1 GIBF O=C(O)CCc1[nH]c2cc([N+](=O)[O-])ccc2c1CC(=O)c1ccc(Cl)cc1 587645149 XLXNNWQHKTUHIK-UHFFFAOYSA-N 386.791 4.172 5 1 GIBF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174410 WOKFHEQYNGVISM-UHFFFAOYSA-N 381.461 4.338 5 1 GIBF COC(=O)[C@H](Oc1c2ccccc2nc2ccccc12)c1ccc2c(c1)OCO2 26753060 XVWPMUDIMPSZCK-OAQYLSRUSA-N 387.391 4.410 5 1 GIBF CCN1CCC(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 200581690 STSQHGMNQPXBLZ-NRFANRHFSA-N 399.466 4.327 5 1 GIBF C[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173524 CUFTZYSRHGXATE-HSZRJFAPSA-N 398.397 4.427 5 1 GIBF COc1ccc(-c2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)cc1OC 587928797 MFBWZVAEJKKYIM-UHFFFAOYSA-N 376.372 4.217 5 1 GIBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3CCc2ccccc2)cc1 13584374 RXUAVXPJZWEMTE-UHFFFAOYSA-N 391.456 4.270 5 1 GIBF in-vivo Cc1cc(C)c(Oc2cc(Nc3ccc([N+](=O)[O-])cc3)nc3ncnn23)c(C)c1 299822609 BHRJJNNPMCTVTO-UHFFFAOYSA-N 390.403 4.494 5 1 GIBF O=C1O/C(=C/c2cccc([N+](=O)[O-])c2)C=C1Cc1ccc(Br)cc1 103175025 ZTLAERBWAWTRFV-LICLKQGHSA-N 386.201 4.424 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587090669 UUMDVXHOPHAYCW-QMMMGPOBSA-N 376.491 4.157 5 1 GIBF O=C(c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132445 BFKMMMUVLQFUIZ-UHFFFAOYSA-N 399.121 4.056 5 1 GIBF C=CC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 587243678 JPUKGIHPVNDIPZ-UHFFFAOYSA-N 387.193 4.025 5 1 GIBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@H]2CC[C@H]1N2C 253700440 KLDDEIDULFIHBU-XRXFAXGQSA-N 380.444 4.001 5 1 GIBF Cc1ccc(O)c([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1 299835278 CXIPKMGYUAPHMD-GOSISDBHSA-N 395.418 4.165 5 1 GIBF O=C(NCc1ccc(COc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])o1 1857604295 FTROCDRZHGANQT-UHFFFAOYSA-N 386.791 4.350 5 1 GIBF O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1-c1ccccc1 1857588012 UXHCALPPPGTJFD-UHFFFAOYSA-N 376.328 4.240 5 1 GIBF CSc1ccc(-c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cc1 45317673 SYSGFLGWXCETIF-KRWDZBQOSA-N 397.456 4.158 5 1 GIBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587572892 ABZBLBMFUACWMB-WIYYLYMNSA-N 393.351 4.012 5 1 GIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(O)cc2)cc1Nc1ccc(O)cc1 1857548606 UANHTNRCUSWWAN-UHFFFAOYSA-N 382.332 4.401 5 1 GIBF COc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1 1857602988 MHGFTQZOXGMQAZ-UHFFFAOYSA-N 386.451 4.281 5 1 GIBF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@H]2CC[C@H]1N2C 100801463 VAOSRYXOQDMAAS-XRULBBBTSA-N 380.444 4.001 5 1 GIBF O=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])c(OCCC3CCCCC3)c2)S1 139500932 RWQPIRXUHVNFIP-WJDWOHSUSA-N 376.434 4.268 5 1 GIBF COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc1 299837801 KZFCYCPYSSTDIK-SFHVURJKSA-N 395.418 4.160 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587037679 WSSYSCPGGWHKAO-GFCCVEGCSA-N 394.250 4.152 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1F 587556120 IUKSBIVYYDEBLB-YLJYHZDGSA-N 381.315 4.142 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc([N+](=O)[O-])cc12 587578249 VOJTXPKCTLWEBE-UGKGYDQZSA-N 389.363 4.104 5 1 GIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@H]1[C@@H]3O 1772632161 RJEFIRXCTLAIQK-CVDCTZTESA-N 379.456 4.117 5 1 GIBF FC(F)COc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 587126752 YBXAVTGDLXAADV-UHFFFAOYSA-N 377.354 4.365 5 1 GIBF COc1c(F)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F 587134169 ALJLTOBKBZQQPW-UHFFFAOYSA-N 384.136 4.187 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c([N+](=O)[O-])cccc12 587575706 KPGLMAWNFHSDBZ-DENIHFKCSA-N 389.363 4.104 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2[N+](=O)[O-])N1 587718311 INKRAYSXEPXFQH-ZKANADHPSA-N 383.192 4.259 5 1 GIBF CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-] 13745560 GOUUCLJKCPCYMJ-UHFFFAOYSA-N 388.225 4.110 5 1 GIBF CCC(=O)[C@H]1[C@@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 100791160 JYGCGYZVYIDMNS-FLTJSSMESA-N 382.460 4.302 5 1 GIBF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587264126 BWAAKRIIQZPGTJ-UHFFFAOYSA-N 397.412 4.192 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1[N+](=O)[O-] 587569319 HPKIZYVNWDBCTL-PXNSSMCTSA-N 381.315 4.142 5 1 GIBF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] 587746741 KZKDBSPZGKGTHI-BMLIUANNSA-N 379.229 4.428 5 1 GIBF C=CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1 72109090 QLQDUFVBFAZBGD-UHFFFAOYSA-N 388.448 4.300 5 1 GIBF CCCCCSC1=N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1 101618283 SROZFJNBWIWEOA-KRWDZBQOSA-N 391.493 4.356 5 1 GIBF COc1cc2cc([C@@H]3CC[N@@+](C)(Cc4ccccc4)C[C@H]3O)sc2cc1OC 261099913 GCIVIYYHFXJQEK-IECBHUPTSA-N 398.548 4.414 5 1 GIBF CC(C)=CCc1c(O)cc2oc3ccc(O)c(CCC(C)(C)O)c3c(=O)c2c1O 238777424 XOGADRPXOSJXPO-UHFFFAOYSA-N 398.455 4.275 5 1 GIBF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1 587140314 YTDSJZLHPGSAJP-UHFFFAOYSA-N 384.150 4.371 5 1 GIBF Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645778 JYTGBMJNZBHLJK-UHFFFAOYSA-N 398.419 4.259 5 1 GIBF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587650212 PQUXUTYAELPHKE-UHFFFAOYSA-N 398.362 4.474 5 1 GIBF CNc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587747418 NRJUBIOKROKMAP-XLFHBGCDSA-N 394.244 4.162 5 1 GIBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2F)cc1NN1CCCCC1 15936827 FWSWWUHZNQEEIL-UHFFFAOYSA-N 376.344 4.247 5 3 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@@H]1[C@@H]3O 13513649 LAWAARLALKUFQQ-XXBNENTESA-N 379.456 4.030 5 1 GIBF biogenic C[C@@]12CCCC(COC(=O)c3ccc([N+](=O)[O-])cc3)=C1C(=O)O[C@H]2c1ccoc1 103206715 PTCMMSMLIXVMII-GHTZIAJQSA-N 397.383 4.130 5 1 GIBF CCC[N@@+]12CCc3cc4c(cc3[C@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 253666652 NBKMONXMUXILOB-DVECYGJZSA-N 382.480 4.013 5 1 GIBF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587163270 JYAPOXUMTCIZFD-HNNXBMFYSA-N 393.216 4.024 5 1 GIBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)cnc(Cl)c2[nH]1 587267129 UPIYLRYTBIRYMO-LURJTMIESA-N 397.178 4.254 5 1 GIBF CCCc1c(O)ccc2c1O[C@@](C)(Cc1c([N+](=O)[O-])ccc(F)c1F)CC2=O 587465766 HJIOTGXNSZYFLR-FQEVSTJZSA-N 391.370 4.498 5 1 GIBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])c[nH]1 587860529 WFCMAQDHHNINDL-UHFFFAOYSA-N 395.202 4.180 5 1 GIBF O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1cccc([N+](=O)[O-])c1 66124576 AYKZZHMSHRUOTP-NRFANRHFSA-N 394.814 4.098 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCOCN1C3 72112141 FRAATPDOXVZVKX-AWEZNQCLSA-N 379.456 4.123 5 1 GIBF O=C1NC(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2Cl)S1 115793810 YCFIHDDUDUEOKN-RIYZIHGNSA-N 390.804 4.151 5 1 GIBF CCN(CC)CCOc1ccc2c(=O)c3ccc(C(F)(F)F)cc3[nH]c2c1 1857573931 RIIJRZWQUYGFOP-UHFFFAOYSA-N 378.394 4.421 5 1 GIBF CCOc1ccc(C(=O)CN2C=C[C](Cc3ccccc3)C=C2)cc1[N+](=O)[O-] 2356870006 KVWDTNLFKRQHHI-UHFFFAOYSA-N 377.420 4.336 5 1 GIBF CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135836 KMAKQTMIDFVDIT-HNNXBMFYSA-N 397.479 4.134 5 1 GIBF Cc1cccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1O 299840465 XBRQJBUUABNLQR-KRWDZBQOSA-N 395.418 4.165 5 1 GIBF O=[N+]([O-])c1cc(I)c2oc(C3=CN4CCC3CC4)cc2c1 26974560 BITGJPONAGCQKA-UHFFFAOYSA-N 396.184 4.012 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746771 LDMWAXBELIWGIV-QGHHPUGFSA-N 379.229 4.428 5 1 GIBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCC=C1C2CC3CC(C2)CC1C3 27874113 CPJQSEMKRVEGEN-UHFFFAOYSA-O 386.493 4.379 5 1 GIBF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(OC)c([N+](=O)[O-])cc31)CC2=O 587470499 KFUNBDGCGQRJOF-QFIPXVFZSA-N 397.427 4.459 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587036722 KNDKDJHCYQXBFT-NSHDSACASA-N 394.250 4.152 5 1 GIBF COCCNc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587262080 NMQWQWUVKYBCAP-UHFFFAOYSA-N 382.754 4.128 5 1 GIBF COC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 587243275 ICXYVEVCOTXSBV-UHFFFAOYSA-N 391.181 4.079 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc([N+](=O)[O-])c1C)O2 587388830 GWVHUQSCTCEARR-FQEVSTJZSA-N 377.400 4.291 5 1 GIBF Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1Cc1ccc(Cl)cc1 1857596101 ACLWXTPBDIUPDA-UHFFFAOYSA-N 394.818 4.150 5 1 GIBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586915505 DSYNDUJJXUZMCY-CWTRNNRKSA-N 385.807 4.341 5 1 GIBF O=C(O)CCC(=O)Nc1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644949 RQMNGMNAKDTNRU-UHFFFAOYSA-N 387.779 4.200 5 1 GIBF CC(C)OC(=O)C1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC(F)(F)C1 587131465 JIZZRBXNHQKKMP-UHFFFAOYSA-N 396.397 4.278 5 1 GIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587270948 UVYFNFLPXCIYPF-LBPRGKRZSA-N 395.644 4.130 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F 587559334 WJDRSCZAAASKCS-FXAWDEMLSA-N 399.305 4.282 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc([N+](=O)[O-])c2F)N1 587726961 MZBARVQKIUCXLN-HUTHGQBESA-N 397.219 4.433 5 1 GIBF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587749059 WVCALSUHEDFCDA-ABKXIKBNSA-N 395.228 4.129 5 1 GIBF Cc1c(O)cc2oc3c4c(c(C)c(O)c3c(=O)c2c1[C@H](C)[C@H](C)O)[C@@H](C)[C@H](C)O4 2356800984 QJDBIQCTKLKBFF-PSJXJDHFSA-N 398.455 4.343 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](O)[C@H]1CCCN1C3 14853927 VEPWWLXWVFFRLY-AUSIDOKSSA-N 379.456 4.030 5 1 GIBF biogenic O=C(CCN[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)c1csc2ccccc12 71295636 KPIVRCFLGTVBTF-HNNXBMFYSA-N 395.484 4.251 5 1 GIBF CCC[N@+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253806509 LXBMEFHVAVNYTC-NTKDMRAZSA-N 382.480 4.013 5 1 GIBF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587203879 POKRXACKXAPYHY-UHFFFAOYSA-N 399.382 4.127 5 1 GIBF O=C1c2ccc(O)cc2O[C@@](C[N+](=O)[O-])(c2ccccc2)[C@H]1c1ccc(F)cc1 587330411 BLXYPRNHLHFKEC-UNMCSNQZSA-N 393.370 4.062 5 1 GIBF COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645701 BIFLLGUHLAPSIG-UHFFFAOYSA-N 378.306 4.472 5 1 GIBF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587748125 SMCLRKDLICVUEW-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587645104 VNUHKRCMYQZIIW-UHFFFAOYSA-N 393.182 4.406 5 1 GIBF COc1ccc2c(c1)[C@H](c1c[nH]c3ccc(OC)c([N+](=O)[O-])c13)N(C(C)C)CC2 962085718 ADCJDXSZNONGGU-OAQYLSRUSA-N 395.459 4.449 5 1 GIBF CCOC(=O)c1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cn1C 40936060 WISGRSKPLFFILZ-UHFFFAOYSA-N 379.416 4.448 5 1 GIBF CN1CCN(c2ccc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)CC1 587048725 DWSMSGBNXXEYLC-XVNBXDOJSA-N 397.866 4.047 5 1 GIBF C[n+]1c2ccccc2c(I)c2[nH]c3c(F)cccc3c21 13555507 IFONVXHKTAWQCC-UHFFFAOYSA-O 377.180 4.043 5 1 GIBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1O)C[C@@]1(C)CCCN1C3 14593901 ICWMUURIBXVTDU-HSZRJFAPSA-N 379.456 4.332 5 1 GIBF biogenic COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccc([N+](=O)[O-])cc1 3793451 XAVFRLQWGSHWBN-UHFFFAOYSA-N 392.411 4.148 5 1 GIBF CCN(CCCN)CCCNc1nccc2c(C)c3[nH]c4ccncc4c3cc12 33885871 DXANCDPDHOAWPX-UHFFFAOYSA-N 390.535 4.045 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cn4)cc1)[C@@H](C2)C3=O 587434463 VRBIKMLHXNTZAS-JTSKRJEESA-N 388.379 4.154 5 1 GIBF O=[N+]([O-])c1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1F 587126906 IBVVZMHRDQMEKG-UHFFFAOYSA-N 381.245 4.052 5 1 GIBF Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587745708 IFDRIJWBJVZZBV-QLJPJBMISA-N 379.229 4.428 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c([N+](=O)[O-])cccc32)N1 587750057 GFUXUDDVZZINLV-XTZNXHDOSA-N 391.240 4.220 5 1 GIBF CCCNCCOc1ccc2cc3ccc(OCCNCCC)cc3nc2c1 29414886 YQESOVRNNWSFQM-UHFFFAOYSA-N 381.520 4.145 5 1 GIBF Cc1cc(Br)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 587148494 BDQAVHVPYRAGOT-UHFFFAOYSA-N 380.173 4.260 5 1 GIBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336063 NCTUXIFRBVGVDG-WHIIXXIBSA-N 387.407 4.484 5 1 GIBF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2=O 587470884 MSARHJNRSKBWCL-QGZVFWFLSA-N 395.371 4.009 5 1 GIBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587109347 HWFXRXDMLFGZEV-UHFFFAOYSA-N 390.243 4.495 5 1 GIBF Cc1ccc2c3c(cc(-c4cc([N+](=O)[O-])cnc4O)nc13)-c1ccccc1C2=O 587099019 VWCQCIAIERFXCC-UHFFFAOYSA-N 383.363 4.430 5 1 GIBF C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557351 MWPHUZRDVUDVNS-GHTZIAJQSA-N 395.342 4.317 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587173758 ISZDDEMUKJLHAA-LBPRGKRZSA-N 378.157 4.049 5 1 GIBF Cc1c2c(c3oc4cc(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@H](C)[C@]2(C)O 2356718690 CRSYXEQNEAGMIY-RNZQGJAASA-N 396.439 4.093 5 1 GIBF CCCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)n1 13588014 OIWGJZRYECFWDM-IBGZPJMESA-N 376.416 4.215 5 1 GIBF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587576792 PTJAZPVUMGMXQJ-WIYYLYMNSA-N 393.351 4.012 5 1 GIBF CCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12 855805 LNDABDSJXOLGCB-QFIPXVFZSA-N 392.411 4.289 5 3 GIBF CC[C@H](CO)Oc1cc(NCc2cccc([N+](=O)[O-])c2)c2ncn(C(C)C)c2c1 61948998 GYFJHZBGQQHMAA-QGZVFWFLSA-N 398.463 4.287 5 3 GIBF CCN(CC)CCNc1ccc(COC(C)=O)c2sc3ccccc3c(=O)c12 5487847 YBQVWCLNKFVHCN-UHFFFAOYSA-N 398.528 4.232 5 1 GIBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)c1 34156742 YXCHUJNDWUXLKF-UHFFFAOYSA-N 380.731 4.068 5 1 GIBF O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccccc1 40568631 DGBADWXCUUCGEU-UHFFFAOYSA-N 390.395 4.133 5 1 GIBF CC1(C)Oc2cc(CCCCC[N+](C)(C)C)cc(O)c2[C@@H]2C=C(CO)CC[C@H]21 89455898 KYTNTMGOBZWDSE-WOJBJXKFSA-O 388.572 4.395 5 1 GIBF CCN1CCC(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 200581730 STSQHGMNQPXBLZ-OAQYLSRUSA-N 399.466 4.327 5 1 GIBF CCOc1cc(C(C)=O)c(OCC)n1-c1cccc(Br)c1[N+](=O)[O-] 587935677 FBCAOOMMLJKXOM-UHFFFAOYSA-N 397.225 4.148 5 1 GIBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C(F)(F)F)c2[nH]1 587116701 CAVAKPYFZKGIKS-UHFFFAOYSA-N 393.247 4.062 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(C)=O)cc2[nH]1 587264020 QGMHROLXTWNILI-LBPRGKRZSA-N 397.387 4.025 5 1 GIBF O=[N+]([O-])c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183483 CYCNILFYLLAPGL-DAXSKMNVSA-N 391.168 4.246 5 1 GIBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587269494 OUXAYPDPGWDWPA-UHFFFAOYSA-N 397.334 4.475 5 1 GIBF Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 1857555406 RXTSCMFMLZMDPR-UHFFFAOYSA-N 398.231 4.011 5 1 GIBF COc1cc2cc([C@@H]3CC[N+](C)(Cc4ccccc4)C[C@H]3O)sc2cc1OC 40538142 GCIVIYYHFXJQEK-AHTUAUCYSA-N 398.548 4.414 5 1 GIBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1F 587138883 AGSNHYYNDCKKAM-UHFFFAOYSA-N 389.543 4.227 5 1 GIBF Cc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Cl 587268925 DRMCCDMDPAWOJU-UHFFFAOYSA-N 398.850 4.453 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587422206 SHCUDQVAQIECKS-YVEFUNNKSA-N 379.290 4.111 5 1 GIBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)cc([N+](=O)[O-])c1OC)CC2=O 587465117 AMYCKPQXWRSKDX-FQEVSTJZSA-N 389.379 4.281 5 1 GIBF COC(=O)c1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C)cn1C(=O)OC(C)(C)C 587647850 RJVIGXTYMFFGIA-UHFFFAOYSA-N 399.403 4.423 5 1 GIBF COc1c(O)ccc(/C=C/C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1[N+](=O)[O-] 101618472 ZERAGDHGZNCIMG-GFSSNIECSA-N 375.421 4.080 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1F 587116090 NDIIUNDAGNVAJE-UHFFFAOYSA-N 377.257 4.239 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]2CC[C@@H]1N2C 169354700 KLDDEIDULFIHBU-WOZUAGRISA-N 380.444 4.001 5 1 GIBF O=C1OCC2=C1[C@H](c1ccc(F)cc1)c1c(c3cccnc3c3ncccc13)N2 299833853 ABONMPOMCYPUQD-QGZVFWFLSA-N 383.382 4.290 5 1 GIBF O=c1c2ccc(Cl)cc2sc2c(N3CCOCC3)nc3ccccc3c12 473169866 OHPPEORUHKZPKA-UHFFFAOYSA-N 382.872 4.453 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1[N+](=O)[O-] 587568098 KVGBMEAOSGDQKY-YLJYHZDGSA-N 381.315 4.142 5 1 GIBF COc1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc([N+](=O)[O-])c1 962996266 IHSPLTRNPZNWKQ-HXUWFJFHSA-N 381.457 4.208 5 1 GIBF C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1O 169727158 VZWQSXRTFMRXEK-IYBDPMFKSA-N 384.310 4.070 5 1 GIBF O=C(/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccc(F)cc1 587166678 GBIWNHZGRCSNBL-KTKRTIGZSA-N 383.386 4.450 5 1 GIBF COc1cc2c3c(c4cc5c(cc4c2cc1OC)OCCO5)C[C@@H]1CCCN1C3 73311677 VJONHTGPEWFGJM-AWEZNQCLSA-N 391.467 4.302 5 1 GIBF O=C(c1ccc2c(c1)OCCO2)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645591 YWKWQLQWLYYVJC-UHFFFAOYSA-N 392.289 4.097 5 1 GIBF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587749062 WVCALSUHEDFCDA-JDNHERCYSA-N 395.228 4.129 5 1 GIBF Cc1cc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-] 587220524 CTPVONHOEHYZFT-HXUWFJFHSA-N 386.411 4.299 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cc([N+](=O)[O-])c1)O2 587375056 BLOYKWKDDIBNBN-KRWDZBQOSA-N 391.221 4.129 5 1 GIBF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c([N+](=O)[O-])ccc(O)c3n1)CC2=O 587471804 VICMZBAGRDZRGB-LJQANCHMSA-N 394.383 4.213 5 1 GIBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(Cc2ccccc2)c1O 587936146 GALXQLVSMPVHFE-UHFFFAOYSA-N 389.205 4.150 5 1 GIBF O=[N+]([O-])c1ccc(CSc2nnnn2-c2cccc(Cl)c2Cl)cc1 95771666 NHAHKHVQCKYOHZ-UHFFFAOYSA-N 382.232 4.170 5 1 GIBF CS(=O)(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645816 DSABIRBQELUAIZ-UHFFFAOYSA-N 384.335 4.165 5 1 GIBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc(O)cc1)c1ccccc12 27861230 IAYGEXZHOWWHOU-UHFFFAOYSA-N 385.467 4.052 5 1 GIBF CCCC[N@+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253665439 CHAIWVMLWNJULV-CJFMBICVSA-N 396.507 4.403 5 1 GIBF O=C1c2ccccc2-c2cc(-c3cccc(O)c3[N+](=O)[O-])nc3ccc(O)c1c23 586988119 ZNNBIBYKATWOFG-UHFFFAOYSA-N 384.347 4.433 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016116 GRXFBPJREZVEQZ-SNVBAGLBSA-N 395.238 4.209 5 1 GIBF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587051868 GAQAKGIXNGTFPF-CYBMUJFWSA-N 389.846 4.261 5 1 GIBF Cc1cc2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c(C)n1 587267640 OBAJEMGZPSRHKJ-UHFFFAOYSA-N 376.420 4.012 5 1 GIBF O=[N+]([O-])c1ccc2oc(N[C@@H](Cc3ccc(O)cc3)c3ccccn3)nc2c1 28001804 ALJOGRPKJFRUDW-KRWDZBQOSA-N 376.372 4.233 5 1 GIBF CC1(C)C=Cc2c(cc3c(oc(=O)c4c5cc6c(cc5oc34)OCO6)c2O)O1 59204747 SBENEJBTTBZVRN-UHFFFAOYSA-N 378.336 4.311 5 1 GIBF biogenic O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66103585 LCURVIQHVBRAPQ-OAQYLSRUSA-N 394.814 4.098 5 1 GIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Br)c(F)c2[nH]1 587159728 VOGDRDJGVAUHPA-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF Cc1c(Cl)ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 587269662 LITJWUSIQDZDJF-UHFFFAOYSA-N 398.850 4.453 5 1 GIBF O=C(O)c1cn2c3ccc(C(F)(F)F)cc3oc3c(F)c(F)cc(c1=O)c32 1772579724 DETLPNSDSJNEDI-UHFFFAOYSA-N 383.228 4.194 5 1 GIBF CC/N=c1/cc2oc3cc(NCCC(=O)O)c4ccccc4c3nc-2cc1C 29059155 WQEMADOKNAMYLM-KQWNVCNZSA-N 375.428 4.201 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCOCCN1C3 72112632 RPBYBJFFDNNUKE-OAHLLOKOSA-N 393.483 4.166 5 1 GIBF O=[N+]([O-])c1ccc(C2=NC(=S)N[C@H](c3ccc(Br)cc3)C2)cc1 103165062 MOSMSJLUNUAGBI-AWEZNQCLSA-N 390.262 4.166 5 1 GIBF COc1cc2cc([C@@H]3CC[N+](C)(Cc4ccccc4)C[C@@H]3O)sc2cc1OC 169348720 GCIVIYYHFXJQEK-WEAPTXNRSA-N 398.548 4.414 5 1 GIBF Cc1c(F)cccc1-c1cc(-c2nc3cc(N)c(N)cc3[nH]2)cc([N+](=O)[O-])c1 587135822 PJBZNJPUKQEPGC-UHFFFAOYSA-N 377.379 4.417 5 1 GIBF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265186 PNZHFYUZKZHBNP-UHFFFAOYSA-N 376.372 4.100 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2F)N1 587726367 WSUNGMKZSXSDOB-ZKANADHPSA-N 383.192 4.259 5 1 GIBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccc(Cl)cc1Cl 72179810 UQQHDCSTTPFQHE-DFVUYQKZSA-N 384.219 4.052 5 1 GIBF O=C(N/C(=C/c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 103174972 LCCZSRQVSUVAHS-DEDYPNTBSA-N 384.395 4.399 5 1 GIBF CC(=O)N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(C)cc1 587216968 RWEZGQOARADPHJ-IBGZPJMESA-N 395.466 4.388 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587269419 NJUWDQGYBHIBCA-UHFFFAOYSA-N 377.326 4.152 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578284 VVSDVJBIFXWEGN-KNQAVFIVSA-N 391.379 4.486 5 1 GIBF N=C(S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(Cc2cccc(Cl)c2)c1O 653809988 IPKJOQXQSJSYSD-UHFFFAOYSA-N 388.836 4.121 5 1 GIBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587269023 HIEHWEITNNKAPS-UHFFFAOYSA-N 378.219 4.440 5 1 GIBF NS(=O)(=O)Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586930184 NNLIDYDIEKHFBA-UHFFFAOYSA-N 387.464 4.325 5 1 GIBF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587198904 VOJJWTZULROVKK-UHFFFAOYSA-N 383.408 4.213 5 1 GIBF COCCOc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587264686 HKHXYCPBGQQQCD-UHFFFAOYSA-N 382.203 4.470 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[C@@H]2CC[C@@H]1N2C 169369465 LMRSIESFCISDEV-NRDMVMEKSA-N 380.444 4.001 5 1 GIBF O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644451 DKWMLZAYGAAFDJ-UHFFFAOYSA-N 386.791 4.172 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc([N+](=O)[O-])cc32)N1 587753291 UWMARIBLIFFXBS-XTZNXHDOSA-N 391.240 4.220 5 1 GIBF C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2o1 13674366 TXOSDVWTUXHGDQ-OAHLLOKOSA-N 380.448 4.375 5 1 GIBF O=[N+]([O-])c1cc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Cl 587049855 MNPRZFWWXIBTPG-DUXPYHPUSA-N 389.711 4.111 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H](C2)C3=O 587422478 PTMNWOAJSDUSJQ-BTDLBPIBSA-N 380.183 4.399 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c([N+](=O)[O-])c2)N1 587719169 PEYNTNANHZWZOQ-XLFHBGCDSA-N 397.219 4.433 5 1 GIBF COc1cc([N+](=O)[O-])ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587745191 GTRAUBRCDVYWDW-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587749075 WXSGKLVCJMGLHB-BMLIUANNSA-N 379.229 4.428 5 1 GIBF CC1(C)Oc2cc3c4c(c5ccc(O)cc5c3cc2O1)[C@H](O)[C@@H]1CCCN1C4 66259524 LQJHAQZXLBOSAZ-PGRDOPGGSA-N 377.440 4.217 5 1 GIBF COc1cc2cnc3c4ccc(NCCCN(C)C)nc4ccc3c2cc1OC 49803929 IGXTXFYAVODKDN-UHFFFAOYSA-N 390.487 4.317 5 1 GIBF Cc1ccc(O)c([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1 299835280 CXIPKMGYUAPHMD-SFHVURJKSA-N 395.418 4.165 5 1 GIBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCCCC1)[C@@H](C2)C3=O 587431875 HZTBGVIYHUJXAU-HTAPYJJXSA-N 394.427 4.082 5 1 GIBF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746476 KCFRDTFGZXGMQF-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)CN1CCC[C@@H]1C3 2356438839 VFAKARQGHXFSFM-CYBMUJFWSA-N 379.456 4.245 5 1 GIBF COc1cc(OCc2nc3cc(C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587263724 ZQSKJXGYMNZPPX-UHFFFAOYSA-N 392.209 4.130 5 1 GIBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccc(F)cc2)c1O 587936374 IKJOCVABRRAZEB-UHFFFAOYSA-N 393.168 4.365 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)c([N+](=O)[O-])c1)O2 587378985 YLAQNXDIEZXTMC-KRWDZBQOSA-N 391.221 4.129 5 1 GIBF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434684 YKVUKUNRTNQVAA-CVDCTZTESA-N 387.391 4.295 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575674 KDWKAYHOATXADF-UGKGYDQZSA-N 391.379 4.486 5 1 GIBF COc1ccc(Nc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1 1911570557 MTSCAPKFFLTDAF-UHFFFAOYSA-N 392.367 4.276 5 1 GIBF Cc1cc(-c2n[nH]c(-c3ccc(OCC(C)C)c([N+](=O)[O-])c3)n2)cc(Cl)n1 40391661 WSDPBPRFHJPQCE-UHFFFAOYSA-N 387.827 4.439 5 1 GIBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586890519 QHAOMPWWLJDWGD-QLJPJBMISA-N 390.237 4.379 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586897699 ICCRURIBDYQJPV-UHFFFAOYSA-N 388.221 4.485 5 1 GIBF CCNc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1[N+](=O)[O-] 587872528 ZQEPFDCOMFLCES-UHFFFAOYSA-N 398.394 4.116 5 1 GIBF CC[C@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135602 AQZHQLRYTCJINN-AWEZNQCLSA-N 397.479 4.325 5 1 GIBF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587241740 IAVCYKKRPBUWSD-UHFFFAOYSA-N 383.364 4.031 5 1 GIBF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472296 FUNYJJLLSSYTCI-MLUDITRGSA-N 396.443 4.189 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578313 VWZQHFBMMUVRQH-GHTZIAJQSA-N 377.352 4.312 5 1 GIBF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587747862 QLGBCGYMPLNRPA-BMLIUANNSA-N 379.229 4.428 5 1 GIBF O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1ccccc1[N+](=O)[O-] 103196409 NNUBNIYVTHWZCH-GOSISDBHSA-N 383.454 4.210 5 1 GIBF CCC[N@+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253806513 LXBMEFHVAVNYTC-YADARESESA-N 382.480 4.013 5 1 GIBF C[C@H](CSc1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587170536 CIWRDQXPNQLSCD-SECBINFHSA-N 376.369 4.414 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)N1 587753686 WIGKKIMNRAIAKA-MGNBDDOMSA-N 391.240 4.025 5 1 GIBF CS[C@@H]1S[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CC(C)(C)CC(=O)[C@@H]12 40860771 LNPLHXQOMCAECE-NQZOLGFYSA-N 379.503 4.204 5 1 GIBF CSc1ccc(-c2ccccc2CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 45285448 PQEVMCLRBFRZRD-INIZCTEOSA-N 397.456 4.158 5 1 GIBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576754 PNHOSIMRMLYMQH-SIKLNZKXSA-N 391.379 4.486 5 1 GIBF COc1ccc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1OC 587646223 LRQBERTZOXLVHB-UHFFFAOYSA-N 376.315 4.262 5 1 GIBF COc1ccc(Cl)c2c1CCN[C@]2(c1ccccc1[N+](=O)[O-])C(F)(F)F 963270298 OJIFYNPBENLGPK-INIZCTEOSA-N 386.757 4.208 5 1 GIBF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CC[N+](C)([O-])[C@@H]1N2C 38406284 MVHRCJQCKYPDRL-IZEQZHGBSA-N 381.476 4.242 5 1 GIBF in-vivo CCOC(=O)CNc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587225325 POZDIMVIYBLHPH-UHFFFAOYSA-N 397.438 4.301 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)N1 587748679 BGOIXLCLFFGFSP-MLCYQJTMSA-N 391.240 4.025 5 1 GIBF CCc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)([O-])[C@@H]2N3C)c1 261141055 NCHQYWNSCTWXGR-UWDQQESISA-N 381.476 4.242 5 1 GIBF O=[N+]([O-])c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586999372 YUIOXLBPLYLWOJ-DAFODLJHSA-N 388.177 4.133 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc([N+](=O)[O-])cc2)N1 587745523 HLCJQRMBUICPQD-QGHHPUGFSA-N 379.229 4.294 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1[N+](=O)[O-] 587242451 LUCSGRGBMFBELH-UHFFFAOYSA-N 391.343 4.496 5 1 GIBF O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 6554169 BKCXNRAQBXZAPS-HXUWFJFHSA-N 386.411 4.185 5 3 GIBF CC(C)(CCS(=O)(=O)CCCCCCCC[N+](C)(C)C)N(Cl)Cl 71331938 SXVFCPNZPAVGOB-UHFFFAOYSA-N 390.441 4.226 5 1 GIBF CSc1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587269595 FWEVOAFFGILJDY-UHFFFAOYSA-N 396.472 4.213 5 1 GIBF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577268 RMMMAFBUXPHRGY-SIKLNZKXSA-N 391.379 4.486 5 1 GIBF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1[N+](=O)[O-] 596255 CCHCIAAUGPVGAU-UHFFFAOYSA-N 392.411 4.148 5 1 GIBF CS[C@@H]1S[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2CC(C)(C)CC(=O)[C@H]21 40860773 LNPLHXQOMCAECE-ZFZWDLNGSA-N 379.503 4.204 5 1 GIBF Cc1cc(=O)oc2c(OCC(=O)c3coc4cc([N+](=O)[O-])ccc34)cccc12 587279917 UMHKCIMAXAJDKZ-UHFFFAOYSA-N 379.324 4.018 5 1 GIBF CCOC(=O)c1c2c3ccc(S[C@H]4CCO[C@H]4C)c4cccc(c-2nc1=O)c43 71294336 QWRVDLPBQXXSIP-NHYWBVRUSA-N 393.464 4.175 5 1 GIBF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[C@H]2CC[C@H]1N2C 101058624 KLDDEIDULFIHBU-NCYKPQTJSA-N 380.444 4.001 5 1 GIBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587159535 QZDYRRFVTSSHIW-UHFFFAOYSA-N 389.346 4.286 5 1 GIBF O=C1C[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)Oc2c1ccc1c2CCCC1 587505547 JDFHRXACJFPXJD-OAQYLSRUSA-N 383.375 4.256 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c([N+](=O)[O-])cc1F 587555371 GHSMUAJVXKFSGW-YLJYHZDGSA-N 399.305 4.282 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578286 VVSDVJBIFXWEGN-SIKLNZKXSA-N 391.379 4.486 5 1 GIBF NC(=S)N1N=C(c2cccc3ccccc23)C[C@H]1c1ccc([N+](=O)[O-])cc1 103215854 CWEFFQHQIXTROA-IBGZPJMESA-N 376.441 4.143 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)N1 587753691 WIGKKIMNRAIAKA-XTZNXHDOSA-N 391.240 4.025 5 1 GIBF O=C(O)CCc1[nH]c2cccc([N+](=O)[O-])c2c1CC(=O)c1ccc(Cl)cc1 587644449 DIVWNNROBTVAOJ-UHFFFAOYSA-N 386.791 4.172 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587749450 YCCMCRPZYLYMQG-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc([N+](=O)[O-])cc2)N1 587749582 DSKUEJGITCQYRP-BMIGLBTASA-N 379.229 4.314 5 1 GIBF COc1ccc2c3c([nH]c2c1[N+](=O)[O-])[C@H](C)N(Cc1ccc([N+](=O)[O-])cc1)CC3 5885847 FGHOGSVXOHWIFY-LBPRGKRZSA-N 396.403 4.112 5 1 GIBF CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)OCC)c1C 587648411 DONGBQFZNHDTLC-UHFFFAOYSA-N 399.403 4.041 5 1 GIBF CC(C)(C)C(=O)Nc1nnc(-c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)s1 103231245 RUWIHMMRLZHWPE-UHFFFAOYSA-N 389.481 4.452 5 1 GIBF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747704 PSLOPXVAXSXXQM-BMLIUANNSA-N 379.229 4.428 5 1 GIBF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587747795 QCWVXKRZBHGFDX-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF CN(C)CCNc1ccc2c3c(cccc13)-c1nc3cc([N+](=O)[O-])ccc3nc1-2 29059020 XQRDOGZBHACJQO-UHFFFAOYSA-N 385.427 4.312 5 1 GIBF O=c1cc(OCc2ccc([N+](=O)[O-])cc2)cc[c-]1-c1n[nH]cc1-c1ccccc1 169690448 SBJISSNAWRESJD-UHFFFAOYSA-N 386.387 4.310 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)cc(F)c2[nH]1 587263904 OYUWFXLOCPTYFW-LLVKDONJSA-N 387.367 4.270 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1-c1cccc([N+](=O)[O-])c1)O2 587388884 HFEZIIDRANMLCP-LJQANCHMSA-N 375.384 4.254 5 1 GIBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3cccc([N+](=O)[O-])c3C2)N1 587751411 MFXKJDLPFJAWAE-MGNBDDOMSA-N 391.240 4.025 5 1 GIBF COc1ccc2c(c1)oc(=O)c1c2oc2ccc3c(c21)CN(CC1CC1)CO3 1772628004 YAVDIUMTBQRSHK-UHFFFAOYSA-N 377.396 4.263 5 1 GIBF O=[N+]([O-])/C=C(\NCCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1 3785375 NEUQFRGOGGSIFE-RELWKKBWSA-N 380.492 4.066 5 1 GIBF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)(O)[C@@H]1N2C 13475501 AJWNTIIQZLHZRZ-IIUCQXFBSA-O 382.484 4.133 5 1 GIBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CC(=O)CCN1C3 68267588 UFZMINRGVALSIK-CQSZACIVSA-N 391.467 4.108 5 1 GIBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263991 PXHQWBPLSZEENA-XYPHTWIQSA-N 395.484 4.375 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2F)N1 587714465 GEHNHONCWDAXJP-HUTHGQBESA-N 397.219 4.433 5 1 GIBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587116661 AJOKMKPKVSMSJN-UHFFFAOYSA-N 381.358 4.341 5 1 GIBF O=c1c2cc(Cl)ccc2oc2cc(OCCCCCO[N+](=O)[O-])cc(O)c12 1857628897 AVLWWVYYGPFCCU-UHFFFAOYSA-N 393.779 4.063 5 1 GIBF COc1cc2c(NCCCN(C)C)nc3c4cccnc4ccc3c2cc1OC 71295440 JJDSDZFHOJSMQQ-UHFFFAOYSA-N 390.487 4.317 5 1 GIBF COc1cc2oc3c4c(O)cc(O)cc4oc(=O)c3c2c(O)c1CC=C(C)C 14762538 AOUOJLLMRHYNMM-UHFFFAOYSA-N 382.368 4.327 5 1 GIBF biogenic CCCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149525 LPGCWDCRFSXIIN-UHFFFAOYSA-N 397.479 4.136 5 1 GIBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)cc1 587272215 QAHHMNTWAQSGBS-UHFFFAOYSA-N 377.316 4.234 5 1 GIBF O=[N+]([O-])c1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1[N+](=O)[O-] 587087552 LEIAVFGJCAJCOP-UHFFFAOYSA-N 396.750 4.157 5 1 GIBF NS(=O)(=O)c1ccc(F)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587140483 HDQSBDQOXSIHPN-UHFFFAOYSA-N 391.427 4.323 5 1 GIBF COc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(F)c2)c(F)c1 587152557 PZYNPDXKPTVAFF-UHFFFAOYSA-N 382.326 4.487 5 1 GIBF C[C@@]1(c2ncccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337141 OPFJCFPYBSCJST-WIYYLYMNSA-N 394.358 4.109 5 1 GIBF COc1cccc(NC(=O)c2c(-c3cccnc3)[nH]c3cc([N+](=O)[O-])ccc23)c1 587647512 ZZFCTJLUZUBWOL-UHFFFAOYSA-N 388.383 4.399 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587746706 KHFIILJDVKUWLS-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747787 QCCDHGGJWKBINX-VVVCHXIZSA-N 395.228 4.129 5 1 GIBF COc1ccc(C(O)(CC2C[C@H]3CC[C@H](C2)[N+]3(C)C)c2ccc(OC)cc2)cc1 101420148 NLTIZGMICXWHCL-FGZHOGPDSA-N 396.551 4.347 5 1 GIBF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586890517 QHAOMPWWLJDWGD-MGPLVRAMSA-N 390.237 4.379 5 1 GIBF O=[N+]([O-])c1ccc(OCc2nc3cc(F)cc(Br)c3[nH]2)cc1F 587149994 XSXIUVCZWIBUNY-UHFFFAOYSA-N 384.136 4.091 5 1 GIBF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587432402 JXRFTKBIEFTQNC-GIMINZRKSA-N 379.412 4.132 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(-c3csc4c3CCOC4)[nH]c12 587031730 LRJUUFVOFHZAKY-UHFFFAOYSA-N 380.223 4.035 5 1 GIBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ncccc4[N+](=O)[O-])cc1)[C@@H](C2)C3=O 587431880 IBBZJQUGLJPSIP-AOMKIAJQSA-N 388.379 4.154 5 1 GIBF CSc1cccc(-c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)c1 45255128 KIMLFYNBZSVXJM-KRWDZBQOSA-N 397.456 4.158 5 1 GIBF Cc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746770 LDMWAXBELIWGIV-DYZYQPBXSA-N 379.229 4.428 5 1 GIBF Cc1ccc(NC(=O)CSCCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 586969925 BIDWEFHQXYDXLN-UHFFFAOYSA-N 384.461 4.002 5 1 GIBF Cc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1[N+](=O)[O-] 587127580 XSVPKBFVDULQMC-UHFFFAOYSA-N 377.282 4.221 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174348 HNMYFJADUGDHPH-UHFFFAOYSA-N 389.184 4.445 5 1 GIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587271017 WWOOYONDAVNFAJ-LBPRGKRZSA-N 384.745 4.386 5 1 GIBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c([N+](=O)[O-])cc1F 587555369 GHSMUAJVXKFSGW-XLIONFOSSA-N 399.305 4.282 5 1 GIBF CN1CCN(c2ncccc2C=C2c3ccccc3-c3ccc([N+](=O)[O-])cc32)CC1 1857553773 NQUJDYPNURGIQA-UHFFFAOYSA-N 398.466 4.311 5 1 GIBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@@H]1[C@@H]3O 299838879 RJEFIRXCTLAIQK-XXBNENTESA-N 379.456 4.117 5 1 GIBF N=c1ncc(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c[nH]1 587253526 BMKNCPSTLYORCA-UHFFFAOYSA-N 389.422 4.196 5 1 GIBF CC[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587449671 QQULQWFIIYRRQT-JLTOFOAXSA-N 385.441 4.292 5 1 GIBF Cc1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587748007 RLLHVXIIBUUDDS-BTDLBPIBSA-N 379.229 4.428 5 1 GIBF O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cnc1O 299866110 OKDZHNDDEDVGFD-UHFFFAOYSA-N 394.318 4.344 5 1 GIBF CCN(CC)c1ccc2nc3c4ccccc4c(=NCCCO)cc-3oc2c1 377803807 IUXDCUJECJMAFD-UHFFFAOYSA-N 375.472 4.215 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587174823 SWDRDEDHIBRGGS-CYBMUJFWSA-N 378.157 4.049 5 1 GIBF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587749063 WVCALSUHEDFCDA-XXFAHNHDSA-N 395.228 4.129 5 1 GIBF CN(C)CCc1c2c(c3nccc4c5ccccc5[nH]c1c34)NC(=O)CS2 1489961 GNFZXVRWYHFYNY-UHFFFAOYSA-N 376.485 4.018 5 1 GIBF biogenic COC(=O)[C@@H]1[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[C@@H]2CC[C@H]1N2C 40373554 VAOSRYXOQDMAAS-XIGKFDRGSA-N 380.444 4.001 5 1 GIBF C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1O 169727159 VZWQSXRTFMRXEK-HZPDHXFCSA-N 384.310 4.070 5 1 GIBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N(C)C 4295657 PHWDDUXYNJWWGG-DLBZAZTESA-N 381.860 4.350 5 1 GIBF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[N+]1(C)CC=CC1 6010181 PHAVBLVRMFBTCX-RTBURBONSA-N 382.355 4.322 5 1 GIBF O=C1C[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)Oc2c1ccc1c2CCCC1 587513238 QWXJODCSJDKXOV-LJQANCHMSA-N 381.384 4.047 5 1 GIBF COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587643296 CXLKZQJUWSQGQQ-UHFFFAOYSA-N 389.205 4.221 5 1 GIBF O=[N+]([O-])c1ccc(C2=[N+]3N[C-](c4ccccc4)C[C@@H]3c3ccccc3O2)s1 169688472 WYJYDEAXMFMLMT-MRXNPFEDSA-N 377.425 4.038 5 1 GIBF O=C(O)CCC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645124 WOSZYVKUUHAZJT-UHFFFAOYSA-N 386.791 4.373 5 1 GIBF O=C(c1c(-c2ccc3c(c2)OCCO3)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645454 VWHDTTQTOJPKHQ-UHFFFAOYSA-N 392.289 4.259 5 1 GIBF CN1CCc2c(Br)cccc2[C@H]1c1c(F)ccc([N+](=O)[O-])c1F 963289284 LNNRRLNOBKHSCG-INIZCTEOSA-N 383.192 4.213 5 1 GIBF COc1c(O)ccc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1[N+](=O)[O-] 40901138 ZERAGDHGZNCIMG-CKPHGNMVSA-N 375.421 4.080 5 1 GIBF C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1O 169727160 VZWQSXRTFMRXEK-HOTGVXAUSA-N 384.310 4.070 5 1 GIBF COc1cccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c12 587268256 ZCWFVJRUQVYOHT-UHFFFAOYSA-N 377.404 4.008 5 1 GIBF O=C(O)c1cc(F)cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587270277 LAAZSEIPLBYCER-UHFFFAOYSA-N 378.319 4.037 5 1 GIBF CCOC(=O)c1c(-c2ccc(OC)cc2)cc(-c2ccc[nH]2)c([N+](=O)[O-])c1N 96931784 OLZXEIIXJHRBAA-UHFFFAOYSA-N 381.388 4.024 5 1 GIBF O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1cccc([N+](=O)[O-])c1 66124577 AYKZZHMSHRUOTP-OAQYLSRUSA-N 394.814 4.098 5 1 GIBF CC1=Nc2ncnn2[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC1CCCCC1 103938469 FHTZJPVEHIAUSG-HVESIFNPSA-N 383.408 4.001 5 1 GIBF COC[n+]1cc2cc(OC)c(OC)cc2c2ccc3cc(OC)c(OC)cc3c21 1629548 GYOROUADNUXACI-UHFFFAOYSA-N 394.447 4.072 5 1 GIBF C[N+](C)([O-])CCc1c2c(c3nccc4c5ccccc5[nH]c1c34)NC(=O)CS2 14697402 CPRFPOYNQSHGTH-UHFFFAOYSA-N 392.484 4.030 5 1 GIBF N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccccc1Cl 587058591 XPKRVSYLQJZKPD-LLVKDONJSA-N 395.644 4.130 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(C)ccc(C)c2[nH]1 587265748 XNXFSZNUZSVZMX-ZDUSSCGKSA-N 383.404 4.439 5 1 GIBF O=C(O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12 230506524 SDRAETFVRBBLOB-UHFFFAOYSA-N 388.164 4.172 5 1 GIBF in-vitro O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc3c(cc2[nH]1)OCCCO3 587110273 YFJKXPXQIVDURD-UHFFFAOYSA-N 393.321 4.242 5 1 GIBF COc1c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c(C)c1[N+](=O)[O-] 587376155 QJHICOQSGFVTBW-IBGZPJMESA-N 390.823 4.336 5 1 GIBF Cc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587556346 JLRHKBDWAPIVLZ-NQIIRXRSSA-N 395.342 4.451 5 1 GIBF Cc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587264368 MGHXMAAXPKYPKB-UHFFFAOYSA-N 391.181 4.041 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1[N+](=O)[O-])O2 587376162 HXEANNFPDGZNOT-KRWDZBQOSA-N 391.221 4.129 5 1 GIBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575677 KFIOQGKYZSCXNU-KNQAVFIVSA-N 391.379 4.486 5 1 GIBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[C@@H]2CC[C@@H]1N2C 169369466 LMRSIESFCISDEV-FYZZASKESA-N 380.444 4.001 5 1 GIBF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587574957 HJIXEQRTCSCUTB-DYESRHJHSA-N 393.351 4.012 5 1 GIBF Cc1oc2c(c1-c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)C(=O)CCC2 586902493 BAKBJZOEYJDXQO-UHFFFAOYSA-N 390.193 4.321 5 1 GIBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)cc(F)c2[nH]1 587262220 GKBXXUBUYOVKLQ-SECBINFHSA-N 391.330 4.101 5 1 GIBF C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557352 MWPHUZRDVUDVNS-NQIIRXRSSA-N 395.342 4.317 5 1 GIBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587270840 RNDILDDPYUTUEO-IBGZPJMESA-N 388.427 4.293 5 1 GIBF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587572889 ABZBLBMFUACWMB-NQIIRXRSSA-N 393.351 4.012 5 1 GIBF COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576944 QFRFAPOXZNWJSR-GHTZIAJQSA-N 393.351 4.012 5 1 GIBF CCc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)([O-])[C@@H]2N3C)c1 14948529 NCHQYWNSCTWXGR-IIUCQXFBSA-N 381.476 4.242 5 1 GIBF CCS(=O)(=O)Nc1ccc(N=c2c3ccccc3n(C)c3ccccc23)cc1 377853474 PJFGHQSUZHTFMM-UHFFFAOYSA-N 391.496 4.326 5 1 GIBF COc1cc(OCc2nc3cc(Br)cc(C)c3[nH]2)ccc1[N+](=O)[O-] 587263283 QANUBSBBZSVICQ-UHFFFAOYSA-N 392.209 4.130 5 1 GIBF O=[N+]([O-])c1c(F)cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1F 961613951 JEZLUBCHGLSWNP-HNNXBMFYSA-N 395.203 4.403 5 1 GIBF CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c(=O)c3cc12 18168608 URXKRPPJGJDRQW-UHFFFAOYSA-N 389.503 4.077 5 1 GIBF N[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586983724 HWAULEUFMJHJMY-NSHDSACASA-N 395.644 4.130 5 1 GIBF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577269 RMMMAFBUXPHRGY-UGKGYDQZSA-N 391.379 4.486 5 1 GIBF COC(=O)c1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 587643937 KUCLEVIKIOKIPX-UHFFFAOYSA-N 375.178 4.292 5 1 GIBF COc1cc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cc(OC)c1OC 15935757 NJWUWZXTRYAPCL-UHFFFAOYSA-N 375.424 4.385 5 3 GIBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586971938 BSVBZKINMFAKSW-UHFFFAOYSA-N 398.444 4.217 5 1 GIBF O=[N+]([O-])c1c(Br)ccc2nc(-c3csc4c3CCOC4)[nH]c12 587032494 XCPFXRHJOXSSPU-UHFFFAOYSA-N 380.223 4.035 5 1 GIBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(Br)o3)nc12 587007338 HSXKFTIRAPMCNL-UHFFFAOYSA-N 386.987 4.256 5 1 GIBF O=C1C[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)Oc2c1ccc1c2CCCC1 587513929 VNUCZMMLMJNGST-HXUWFJFHSA-N 390.395 4.434 5 1 GIBF CCC(=O)[C@H]1[C@@H](c2ccc3c([N+](=O)[O-])c(OC)ccc3c2)C[C@@H]2CC[C@@H]1N2C 169306346 JYGCGYZVYIDMNS-DKXUYOFUSA-N 382.460 4.302 5 1 GIBF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586890463 PNZVFICEWKKGBE-MGPLVRAMSA-N 390.237 4.379 5 1 GIBF O=[N+]([O-])c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586921465 IVOOYPLENICQJR-UHFFFAOYSA-N 393.424 4.112 5 1 GIBF CS[C@H]1S[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CC(C)(C)CC(=O)[C@@H]12 169369516 LNPLHXQOMCAECE-QCPWZWHMSA-N 379.503 4.204 5 1 GIBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[N+](=O)[O-])N1 587747593 OSODWJPKEOGQOO-QGHHPUGFSA-N 379.229 4.294 5 1 GIBF CN1c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C(C)(C)C(=O)C1(C)C 1911585649 WWPZOAXWLIHTAM-UHFFFAOYSA-N 396.447 4.314 5 1 GIBF CC1=NN(C(=S)SCc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccccc2)C1 49792582 RAUBFSPAQJPIRP-GOSISDBHSA-N 387.486 4.040 5 1 GIBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 100036801 DRKKFEDPIHQMQP-BDBAMQCISA-N 388.420 4.042 5 1 GIBF Cc1cc([N+](=O)[O-])ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576160 MYBSVXDJUDRSKW-WIYYLYMNSA-N 377.352 4.312 5 1 GIBF CN1c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@H](O)C1(C)C 1911580147 KUYCSWDMYRAUGR-SFHVURJKSA-N 398.463 4.106 5 1 GIBF CN(C)CCOc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048558 XIFQKZXHRMDYNQ-YWEYNIOJSA-N 386.839 4.235 5 1 GIBF O=[N+]([O-])c1ccc(C[n+]2ccc3c(c2)[nH]c2ccc(Br)cc23)cc1 45356044 FNBPKYVATQXMQZ-UHFFFAOYSA-O 383.225 4.328 5 1 GIBF COc1ccc(CN(CC(=O)OC(C)(C)C)Cc2ccc([N+](=O)[O-])s2)cc1 84687236 KLAVHPZZDKGNJC-UHFFFAOYSA-N 392.477 4.009 5 1 GIBF CCCCc1cc(=O)oc2cc(OCc3nc4ccc([N+](=O)[O-])cc4[nH]3)ccc12 586917625 DTHBMBMAEYJAQK-UHFFFAOYSA-N 393.399 4.499 5 1 GIBF O=[N+]([O-])c1cnc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587150171 LANLPWXEYLZJGR-KRWDZBQOSA-N 382.326 4.313 5 1 GIBF Cc1cc(C)cc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587563771 AOEPEUWBNDPVHS-UHFFFAOYSA-N 376.210 4.429 5 1 GIBF Cc1c(-c2nc3ccc(I)cc3[nH]2)cccc1[N+](=O)[O-] 587261096 SWCOQQLMVZPGFJ-UHFFFAOYSA-N 379.157 4.051 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ncccc3[N+](=O)[O-])cc1)O2 587391362 WBSMBWWCZFBHJN-LJQANCHMSA-N 375.384 4.254 5 1 GIBF COc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(OC)c1C 587786852 HGBJMCUGNGADFV-UHFFFAOYSA-N 392.209 4.226 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2F)N1 587715412 HOYHBKAJSXKBIE-XYZCENFISA-N 397.219 4.433 5 1 GIBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2[N+](=O)[O-])N1 587725033 BESVARKTCBIQAA-PWJLMRLQSA-N 383.192 4.259 5 1 GIBF CCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c-2nc1=O)c43 95593728 VWXKRYCZXIHSPX-UHFFFAOYSA-N 377.513 4.494 5 1 GIBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c([N+](=O)[O-])cccc12 587575709 KPGLMAWNFHSDBZ-UGKGYDQZSA-N 389.363 4.104 5 1 GIBF CN(C(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 61958608 ADZUQSPLBFBJTJ-UHFFFAOYSA-N 395.459 4.181 5 3 GIBF COc1cc2c3c(c4cc5c(cc4c2cc1OC)OCO5)C[C@@H]1CCCN1C3 15216028 XYIVQGONBIUUEZ-ZDUSSCGKSA-N 377.440 4.259 5 1 GIBF CN(C)/C=C\[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511333 FXEOKGAWRSQEGK-WHIOSMTNSA-N 392.455 4.410 5 1 GIBF COc1cccc2c3c(cnc12)CCN[C@@]3(Cc1ccc([N+](=O)[O-])cc1)C(F)F 963072345 YSPBIDZAHFYEKV-OAQYLSRUSA-N 399.397 4.000 5 1 GIBF O=[N+]([O-])c1cn2c(n1)S[C@@H](COCc1ccc(Oc3ccccc3)cc1)C2 1772655307 SCZSMGGBTCESBE-QGZVFWFLSA-N 383.429 4.275 5 1 GIBF CCn1c(SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1-c1ccccc1 1857563395 FFVVBWPEYREWLZ-UHFFFAOYSA-N 385.405 4.074 5 1 GIBF CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-] 13528708 WJBWYGYWSFXTLU-UHFFFAOYSA-N 389.209 4.443 5 1 GIBF Cc1cc(Br)ccc1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586980701 FEUMUIGGDIZZDV-UHFFFAOYSA-N 376.210 4.429 5 1 GIBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(C)cc1[N+](=O)[O-])O2 587391254 TYQRSEQABJAWKJ-HXUWFJFHSA-N 377.400 4.291 5 1 GIBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(F)c2)N1 587724163 FAYIYSGQUAGFIP-ZKANADHPSA-N 383.192 4.259 5 1 GIBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1[N+](=O)[O-] 587862808 KJYFYGQDPZHSJC-UHFFFAOYSA-N 391.305 4.174 5 1 GIBF