smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 82135900 BAUDIBBFBRVADU-AWEZNQCLSA-N 439.903 4.846 5 1 IJBF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163623 RGQFEMICGGSMIZ-UHFFFAOYSA-N 445.435 4.664 5 1 IJBF Cc1ncc([N+](=O)[O-])n1CCCCCCCCCCn1cnc2cc(F)ccc2c1=O 473113370 GLJTZGQNJDIJQX-UHFFFAOYSA-N 429.496 4.770 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)(COc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O 587453871 PYIYDSJZAOLDNV-FNZWTVRRSA-N 428.440 4.540 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587697244 NBOCENMNRLQGCB-YYSFKGJASA-N 443.700 4.956 5 1 IJBF O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(F)cc1[N+](=O)[O-] 13761286 GBQIPKICNHWJFY-DUXPYHPUSA-N 438.198 4.872 5 1 IJBF COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163931 NXZYYSDOFDVLFT-UHFFFAOYSA-N 431.452 4.678 5 1 IJBF O=C(O)c1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1 103284574 MVFBJYCYZTZJDA-UHFFFAOYSA-N 441.105 4.665 5 1 IJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(I)cc2[nH]1 587109780 NNBDSPMOXMYTQE-UHFFFAOYSA-N 447.154 4.685 5 1 IJBF C[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199533 HGNISDAPABVGDW-AWEZNQCLSA-N 443.463 4.808 5 1 IJBF O=C1C[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)Oc2c1ccc1c2CCCC1 587500910 YUTPYNZVNYWXGD-OAQYLSRUSA-N 444.281 4.879 5 1 IJBF Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505916 MEPRANISNMFWKG-HSZRJFAPSA-N 437.883 4.770 5 1 IJBF CCOc1cc2oc(=O)c(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2cc1Br 586998571 LFMVANKKFOSGFF-UHFFFAOYSA-N 448.204 4.545 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587748073 UGJUAJXXVZZYAR-BIBXISHDSA-N 437.309 4.865 5 1 IJBF CCCCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br 587270435 XUPZNEXPYGZNTI-UHFFFAOYSA-N 448.273 4.804 5 1 IJBF COc1ccc2c(c1)[C@H](c1ccc(Sc3ncccn3)c([N+](=O)[O-])c1)N(C(C)C)CC2 962088258 FQJRODQRUDACSS-QFIPXVFZSA-N 436.537 4.901 5 1 IJBF O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccn1 2500890 RSPOJGKSHGYSHV-NRFANRHFSA-N 431.839 4.783 5 1 IJBF O=C(Cc1ccccc1Oc1c(Cl)cccc1[N+](=O)[O-])O[C@H]1OC(=O)c2ccccc21 26392171 HEHARVQLYSZMCL-QFIPXVFZSA-N 439.807 4.995 5 1 IJBF COc1cc(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cc2[N+](=O)[O-])cc(OC)c1OC 82152250 UCSAAECBPXPZFV-UHFFFAOYSA-N 444.390 4.818 5 1 IJBF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12 963635162 LSAGXPUXPALVEB-OWJWWREXSA-N 444.491 4.550 5 1 IJBF COC(=O)N(C)[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587482 NUBVKFJDHSDLPJ-JOCHJYFZSA-N 435.480 4.735 5 1 IJBF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148270 WRIQWFUYLAVVLT-UTKZUKDTSA-N 437.544 4.597 5 1 IJBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)cc1 587342849 QBVUQLUORHETTK-RRPUWOKSSA-N 437.427 4.549 5 1 IJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])cccc21 587469798 FVZWISVJZJRCML-VWLOTQADSA-N 429.428 4.706 5 1 IJBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 13863812 HVZJOWMEYSKFNV-PKNBQFBNSA-N 425.554 4.657 5 1 IJBF COC(=O)Cc1ccc2c(c1)NC(=O)c1cc(C)c(-c3ccc([N+](=O)[O-])c(OC)c3)cc1N2 89469111 OVISARFWMBEMGJ-UHFFFAOYSA-N 447.447 4.604 5 1 IJBF CCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1Br 587262504 AZZYTSOLTCPVIX-UHFFFAOYSA-N 436.262 4.610 5 1 IJBF C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331887 KIAHBYZZVFFUGV-NZQKXSOJSA-N 441.386 4.645 5 1 IJBF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12 963635163 LSAGXPUXPALVEB-OYLFLEFRSA-N 444.491 4.550 5 1 IJBF Cc1cc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Br 586977498 PXBDLUQRBMSDIW-UHFFFAOYSA-N 425.080 4.895 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 587681497 XOPCADUEMWVQTA-VPTHRUTESA-N 444.098 4.883 5 1 IJBF Nc1c2c(nc3c1[C@H](c1cccc([N+](=O)[O-])c1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284167 JBAXSCCUCJLJCH-IBGZPJMESA-N 441.443 4.843 5 1 IJBF Cc1ncc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)c1Br 586979045 PABUKNRJYLORFG-UHFFFAOYSA-N 426.068 4.675 5 1 IJBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587035616 WLNUGSDALWWCNN-LBPRGKRZSA-N 439.453 4.865 5 1 IJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)cnc(Cl)c2[nH]1 587056723 UCUMRFIMOLJZFA-GFCCVEGCSA-N 442.690 4.953 5 1 IJBF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1c(Cl)cccc1[N+](=O)[O-])CC2=O 587460340 LXKSZJXPAIUTQJ-QFIPXVFZSA-N 447.871 4.720 5 1 IJBF CC1(C)C[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2O1 35920355 WVQRNYQXPPQDMD-HNNXBMFYSA-N 436.331 4.946 5 1 IJBF O=c1c2ccc(Cl)cc2ncn1CCCCCCCCCCn1cnc([N+](=O)[O-])c1 473113822 HNOLMRCPSBBIRM-UHFFFAOYSA-N 431.924 4.976 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 587263235 KUZKYQVZILBKCE-MRVPVSSYSA-N 425.228 4.524 5 1 IJBF CCCCCOc1cc(OC[C@H](O)CNCCCC)cc2oc3ccccc3c(=O)c12 1772608717 YVFOMMZPFZNMDF-GOSISDBHSA-N 427.541 4.645 5 1 IJBF COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccc([N+](=O)[O-])cc23)cc1 103263940 CGOZSABHBLOFQK-UHFFFAOYSA-N 426.517 4.651 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 587747801 QDKADLHKVVYKNX-YUNKPMOVSA-N 434.309 4.720 5 1 IJBF C[C@](O)(CSc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73295579 XSFONVROXDBQLI-KRWDZBQOSA-N 443.378 4.803 5 1 IJBF O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 587280224 OTEBVNYHXOQJQE-UHFFFAOYSA-N 442.309 4.894 5 1 IJBF C[C@]12CCC(=O)c3c1c(nn3Cc1ccc([N+](=O)[O-])cc1)C[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088058 UYNSRKBUFVSFKD-RGAJYYFASA-N 447.535 4.642 5 1 IJBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135313 XVJXAGLWQBKSEX-QZTJIDSGSA-N 437.544 4.693 5 1 IJBF O=[N+]([O-])c1ccc(N2CN3C(=C(O)[C@H]2c2ccccc2[N+](=O)[O-])Nc2ccccc23)cc1 169331816 WLBKCBZINBAYHD-HXUWFJFHSA-N 431.408 4.681 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3cc(F)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] 587267354 JGZUGDWKHHHKHN-UHFFFAOYSA-N 444.264 4.901 5 1 IJBF COc1cc([N+](=O)[O-])ccc1NC(=S)NCCCNc1ccnc2cc(Cl)ccc12 40875258 IOGMBHHQNSIOEA-UHFFFAOYSA-N 445.932 4.594 5 1 IJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149582 YZIQOOWOYZLLLJ-CALCHBBNSA-N 437.544 4.915 5 1 IJBF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150312 MADBVNIYJBCFFU-UHFFFAOYSA-N 439.560 4.796 5 1 IJBF O=C(O)c1cc2[nH]c(CC3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587958672 FJMONICOGZOUOO-UHFFFAOYSA-N 426.428 4.797 5 1 IJBF Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)o1 653687974 CCPOVUJLPWHOOP-UHFFFAOYSA-N 441.871 4.906 5 1 IJBF COc1ccc([C@H]2[C@@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1OC 1772613335 SDHYWARWTJBHLS-KOSHJBKYSA-N 430.464 4.619 5 1 IJBF O=C(O)c1cccc2c1n1c3ccccc3n2n2c3ccccc3n1c1cccc(C(=O)O)c12 85549514 BKTKHUKERRNOIX-UHFFFAOYSA-N 448.438 4.962 5 1 IJBF biogenic CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587261962 FLEQUJDAOOALPS-JTQLQIEISA-N 439.346 4.721 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@]31CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 963035481 NFEAOJDQWPWPIR-DVECYGJZSA-N 448.479 4.759 5 1 IJBF COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Cl 587054057 INZJOQTWRFBLEB-QGZVFWFLSA-N 437.283 4.914 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1[N+](=O)[O-] 587573064 AZYWOVFYYYJJOI-QPPBQGQZSA-N 428.400 4.794 5 1 IJBF c1ccc2c(NCc3cn(CCCN4CCCC4)nn3)c3oc4ccccc4c3nc2c1 1772601762 WYGWKXFPTCCZAH-UHFFFAOYSA-N 426.524 4.824 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82134471 XFPNIZCYQKKRBP-UHFFFAOYSA-N 449.511 4.875 5 1 IJBF N=C(N)c1ccc(Nc2nc(Nc3ccc(-c4ccccc4)cc3)ncc2[N+](=O)[O-])cc1 45339309 IOMAFFJUDARGBX-UHFFFAOYSA-N 425.452 4.823 5 1 IJBF CCCCOc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br 587268063 WGZFGEWFCOVOQR-UHFFFAOYSA-N 436.310 4.781 5 1 IJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587268288 PHVZQCADFHATSG-UHFFFAOYSA-N 432.200 4.621 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(F)c(C(=O)O)c3)cc1[N+](=O)[O-])O2 587383402 ZVWXYAAHXGGNRU-OAQYLSRUSA-N 436.395 4.696 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(Br)c1 587541422 UNXUNLOZEPAVHB-PXNSSMCTSA-N 442.221 4.766 5 1 IJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587265655 RPPCRIFLRUNBCM-ZDUSSCGKSA-N 431.408 4.783 5 1 IJBF C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82148843 UIDNVXAMTSUQAS-JHOJWFKBSA-N 449.555 4.770 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267318 IPABDSZRNRHZLJ-UHFFFAOYSA-N 431.374 4.898 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1cccc([N+](=O)[O-])c1 587865965 RCGVWBILTKQRCR-UHFFFAOYSA-N 434.374 4.628 5 1 IJBF COC(=O)c1cccc2nc3c([C@@H](O)[C@H](CCCCC(C)C)C(=O)OC)cccc3nc12 2356323536 CGWWWFZGEOYBRY-FDDCHVKYSA-N 438.524 4.609 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587002823 HHVBUNLOUJIZFB-UHFFFAOYSA-N 437.051 4.539 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc([N+](=O)[O-])c4)c1)[C@@H](C2)C3=O 587432696 KUZAAZMLYCSYFD-CPJSRVTESA-N 447.443 4.680 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587695465 JZBXGTJHDMALEF-YYSFKGJASA-N 443.700 4.956 5 1 IJBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135550 WXUWIEBLPSVSEB-IAGOWNOFSA-N 437.544 4.915 5 1 IJBF O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c2c1 587171144 KKYGUCFXPGRNFT-UHFFFAOYSA-N 446.847 4.731 5 1 IJBF CCN(CC)CCn1c2ccccc2c2c1c(=O)c1ccccc1n2CCN(CC)CC 64549320 AAZKSZMRLNUZMW-UHFFFAOYSA-N 432.612 4.793 5 1 IJBF C/C=C(\C)C(=O)NCCc1c2c(c3nccc4c5ccccc5[nH]c1c34)NC(=O)CS2 96910859 FYLUWBJINWEXIB-QLKAYGNNSA-N 430.533 4.538 5 1 IJBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587049415 IOCIBJRGWQDXMN-HJWRWDBZSA-N 427.848 4.515 5 1 IJBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)(C)C 587206636 XFSCMTZBVWVGRV-LBPRGKRZSA-N 441.326 4.716 5 1 IJBF C[N@+]1(CCCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261137697 MKNASJNZVVEVJG-ZUKKLESISA-O 440.611 4.807 5 1 IJBF CC1=C(c2ccc3nc(-c4cc([N+](=O)[O-])ccc4SCC(C)C)[nH]c3c2)NNC(=O)C1 586973515 OYLMZBVPZLNACS-UHFFFAOYSA-N 437.525 4.642 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(Br)c2[nH]1 587266283 ZVLOKAJDVFDHJK-JTQLQIEISA-N 434.246 4.585 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 587713249 CMRVHQGDDYMCGX-ZKANADHPSA-N 431.208 4.721 5 1 IJBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 82216907 GEBPBEAOEMNNJM-MSOLQXFVSA-N 439.560 4.795 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 587538476 FELXULQKIJYKGE-YLJYHZDGSA-N 442.221 4.766 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(Br)c1 587541421 UNXUNLOZEPAVHB-FXAWDEMLSA-N 442.221 4.766 5 1 IJBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1CCCc1ccc(Cl)c(Cl)c1 587943054 JYLVGEOTHIZPCZ-UHFFFAOYSA-N 439.299 4.625 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005393 GXPSZFBLOGPDTJ-UHFFFAOYSA-N 432.459 4.712 5 1 IJBF CCOC(=O)c1ccc(NC(=O)Cc2cccc3c(=O)c4ccc(C)c(C)c4oc23)cc1 103299298 SEYKSWUDGDQQPI-UHFFFAOYSA-N 429.472 4.921 5 1 IJBF COc1cc(OCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] 587263077 KOAIYPMTVMKERV-UHFFFAOYSA-N 446.179 4.840 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 587863195 UCVLYGIKEJYKPB-UHFFFAOYSA-N 435.358 4.513 5 1 IJBF Cc1ccc(CN2C(=O)C[C@@H](c3ccc(C)cc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 653721931 MKDXROLHRRLNDO-DMDYGQEQSA-N 430.504 4.912 5 1 IJBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 1857583955 PSLWUCZXKZIBKK-UHFFFAOYSA-N 434.761 4.937 5 1 IJBF COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587336535 NPXYTOXKTUEIBO-LADGPHEKSA-N 437.423 4.808 5 1 IJBF O=C(Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 96167970 OBZCZAGIVPJHMB-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587181111 MTFYMDAVLANVNQ-SSDOTTSWSA-N 445.648 4.564 5 1 IJBF CCNc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] 587863183 TUNALZFWXOUBSW-UHFFFAOYSA-N 434.374 4.606 5 1 IJBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(F)cc3Br)c[n+]12 299844752 XXJDYBDULBCNCH-UHFFFAOYSA-O 439.264 4.539 5 1 IJBF COc1ccc2c(c1)[C@](c1ccc([N+](=O)[O-])cc1)(c1cccc(OC(C)=O)c1)N[C@H]1CC[C@H]21 962999877 ZMCOQPVAGDAYHS-AFESJLNVSA-N 444.487 4.670 5 1 IJBF O=[N+]([O-])c1cnc2ccc(Br)cc2c1-n1cc(CSc2ccccc2)nn1 103271667 MNNCXKBLSLQNOL-UHFFFAOYSA-N 442.298 4.779 5 1 IJBF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1C)c1cccc([N+](=O)[O-])c1 103205064 RDNNVCGYIMNCMZ-SFHVURJKSA-N 443.776 4.663 5 1 IJBF COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 587047323 GIRPGUDUPYYHBR-HYXAFXHYSA-N 436.649 4.844 5 1 IJBF Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963094758 CZCPBAXXCIMSBZ-QUGAMOGWSA-N 428.463 4.899 5 1 IJBF O=[N+]([O-])c1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1 103284577 BFTHNFOEKBFUDL-UHFFFAOYSA-N 442.093 4.875 5 1 IJBF CCCc1nc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)nn1-c1ccccc1F 587155741 GGAOBPCMQVNXTM-UHFFFAOYSA-N 445.252 4.573 5 1 IJBF COc1cc2cc(C(=O)CC3(O)CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 13818018 LLSISOMGTGWJAD-UHFFFAOYSA-N 440.585 4.663 5 1 IJBF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(Cl)cc12 587078686 ZPSUEOWJJOAXAS-SNVBAGLBSA-N 428.832 4.718 5 1 IJBF COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163932 NOHTUXLVRYITBB-UHFFFAOYSA-N 445.479 4.987 5 1 IJBF COc1cc([C@H]2CC(=O)c3ccccc3O2)cc([N+](=O)[O-])c1OC(=O)Nc1ccccc1 98083385 XOAWRXJJESECTQ-HXUWFJFHSA-N 434.404 4.921 5 1 IJBF CCOc1cc([C@H]2NC(=O)N=C(c3ccccc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702717 AKDQCRSWAYXLAK-UYAOXDASSA-N 437.477 4.798 5 1 IJBF CC(C)COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br 587151870 VBVXCURKVJVWNX-UHFFFAOYSA-N 438.253 4.987 5 1 IJBF C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82148025 COCJHTKATGDHCW-ITNCUTESSA-N 449.555 4.674 5 1 IJBF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587043558 RULXFQCOCZTIKX-INIZCTEOSA-N 431.908 4.968 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 587263653 NFHNJPRSQGTZQH-QMMMGPOBSA-N 425.228 4.524 5 1 IJBF COc1cc2c3c(c1)O[C@](C)(c1cc4c(=O)c5cc(C)ccc5oc4nc1C)[C@@H](C2)C3=O 587436527 QFJGWWXVAJXMPZ-AFMDSPMNSA-N 427.456 4.629 5 1 IJBF CCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O 587747333 PSRPNQYNSSVJAE-XTZNXHDOSA-N 439.281 4.614 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)[C@]1(CCC2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962637741 PCKUNLFWFUIPSE-SQHAQQRYSA-N 425.532 4.922 5 1 IJBF Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513459 SZPYRGYUSAAKHH-QHCPKHFHSA-N 430.460 4.750 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 587753394 VQKOVWWJZVRCLF-ZDUSSCGKSA-N 434.309 4.526 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587265282 VOERDQBCTKHRKG-VIFPVBQESA-N 441.337 4.980 5 1 IJBF COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82225289 TYQYMXMGYMOPJT-UHFFFAOYSA-N 431.452 4.741 5 1 IJBF CC1=CC(C)=[N+]2[C@H]1[C@@H](c1ccc(OCCC[N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 1857764931 QJPCKEMKIJMVEV-DNQXCXABSA-N 442.383 4.750 5 1 IJBF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O 587432896 MILGNQKQZPCRBB-BVZFJXPGSA-N 442.427 4.623 5 1 IJBF O=[N+]([O-])c1cccc(NC(=S)N2CCCN(Cc3ccc(Cl)cc3Cl)CC2)c1 45322097 RCBXYBXZPYZKAL-UHFFFAOYSA-N 439.368 4.806 5 1 IJBF COC(=O)c1ccc(Oc2ccc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c3c2)cc1 587159812 ZYXPFHPDYOJKHK-UHFFFAOYSA-N 437.383 4.768 5 1 IJBF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])cn3ccnc13)CC2=O 587470528 KSNWGZLISAPVOQ-VWLOTQADSA-N 443.459 4.810 5 1 IJBF COc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc([N+](=O)[O-])cc1 653738919 RVIWNVPOEYXBDQ-NVNXTCNLSA-N 436.645 4.961 5 1 IJBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CC(=O)c1c([N+](=O)[O-])cccc12 961746026 CFTADVYBKJMBOI-RUZDIDTESA-N 449.507 4.576 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c1)O2 587391811 ZIBMURPCUPUHAS-RUZDIDTESA-N 445.475 4.927 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 587865902 OLELRWHHVWXVHR-ZDUSSCGKSA-N 449.385 4.984 5 1 IJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963113138 VDEUDKUAVBBURD-HXUWFJFHSA-N 433.295 4.678 5 1 IJBF C[N+]1(CCCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 34802153 MKNASJNZVVEVJG-XIDOUCRZSA-O 440.611 4.807 5 1 IJBF C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82148475 AENNCVXPJRUIFB-ITNCUTESSA-N 449.555 4.674 5 1 IJBF CC[N+]1(C[C@@H]2c3ccccc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209488386 ZOEOHYIBEYMINZ-BJKOFHAPSA-N 437.991 4.767 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2[N+](=O)[O-])N1 587675463 BSGDUBAYJSALTG-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF COc1cc2c(cc1OC)[C@@](C)(c1ccc(Br)cc1[N+](=O)[O-])N(C)[C@@H](C)C2 962636072 VRTXNKIEEGUJQY-FKIZINRSSA-N 435.318 4.514 5 1 IJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587511234 FNHTXSPPNYURTR-AREMUKBSSA-N 441.439 4.633 5 1 IJBF NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4[N+](=O)[O-])cc3)cc12 95595044 RSBLTCHMMIJLMZ-UHFFFAOYSA-N 433.464 4.827 5 1 IJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 586973448 OMLRBNLFWKLVFJ-UHFFFAOYSA-N 425.558 4.638 5 1 IJBF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587167505 SPLXJASYGXCJBW-CQSZACIVSA-N 448.252 4.742 5 1 IJBF CC(C)c1ccc2nc3ccc(C(=O)N[C@H](C)CCCc4cccnc4)cn3c(=O)c2c1 27524598 DCNXKPFVMNEKDU-GOSISDBHSA-N 428.536 4.507 5 1 IJBF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 104056732 QSKOPXMHNFGFMO-ATPAHOSSSA-N 430.486 4.635 5 1 IJBF CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O 169702710 QOVFYKJDUHRDDL-UNMCSNQZSA-N 431.448 4.737 5 1 IJBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 1772584641 ZDDBWCDZBSWLHV-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF CC(C)(C)OC(=O)N(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C[C@H]1CCCO1 587197086 IDAJAIJQUMSHIU-OAHLLOKOSA-N 433.512 4.575 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006755 RMZCOMMUDYFFOQ-UHFFFAOYSA-N 436.063 4.916 5 1 IJBF CN(C)[C@H](Cn1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O)c1cccc(Br)c1 587939037 HCGGBTNBWVUUTP-GOSISDBHSA-N 446.301 4.540 5 1 IJBF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1[N+](=O)[O-] 1552602 ZQIOEYNQFIXWJE-SFQUDFHCSA-N 425.510 4.954 5 1 IJBF CCCOc1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cc1Br 587261240 ZTZXISFYADIPHZ-UHFFFAOYSA-N 436.262 4.707 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2Br)N1 587676911 ISQZYXXICBLZEZ-VPTHRUTESA-N 444.098 4.883 5 1 IJBF Cc1c(S(=O)(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)sc2ccc(C(C)C)cc12 114594600 PJNYMXUZRPHRKR-UHFFFAOYSA-N 434.495 4.740 5 1 IJBF CCOC(=O)CCC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962956875 SNAWJGBNSKZORS-AVRWGWEMSA-N 435.524 4.977 5 1 IJBF COc1cccc2cc3c(nc12)[C@@](c1cccc([N+](=O)[O-])c1)(c1ccccc1F)NCC3 963050301 XYOGHWYNXAMSJK-RUZDIDTESA-N 429.451 4.728 5 1 IJBF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCC[N+](C)(C)[O-])c1ccccc1 36184673 NWFWLXVUCFLSOQ-DEOSSOPVSA-N 444.526 4.744 5 1 IJBF O=[N+]([O-])c1ccc(NC(=S)Nc2ncnc3c2sc(=S)n3-c2ccccc2)cc1 45286692 KJWXMPHIVITWBF-UHFFFAOYSA-N 440.535 4.929 5 1 IJBF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc([N+](=O)[O-])cc31)c1ccccc1CO2 100641943 XUMPWBQEUCERPH-DJKKODMXSA-N 427.416 4.667 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 587573005 ARCBGJPORHUSOI-RDGATRHJSA-N 446.459 4.994 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 587707750 WPFCLBAMEHSWMT-ABKXIKBNSA-N 433.199 4.837 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)cc1[N+](=O)[O-] 587863055 PHTDTFLXMUYAMI-UHFFFAOYSA-N 435.358 4.513 5 1 IJBF CCOc1cc(CC(C)=O)c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943876 RBQSSNJOFJKWCB-UHFFFAOYSA-N 443.269 4.524 5 1 IJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 963192252 ZYHDAVZAEUIILL-SJCJKPOMSA-N 440.761 4.702 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)[C@@H](O)[C@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103232397 SUDIGTAQRKSJKD-XDHUDOTRSA-N 439.487 4.741 5 1 IJBF COc1ccc(-c2cc(O)n(-c3c([N+](=O)[O-])cc(Br)c(F)c3C)c2O)cc1 587944005 VLGXXKJHRQHDKG-UHFFFAOYSA-N 437.221 4.682 5 1 IJBF Fc1cccc(Cn2nnc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2Cl)c1 587161675 PESRSTJYHKSWQS-UHFFFAOYSA-N 429.846 4.759 5 1 IJBF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O 587430770 BQAXBFSYIGPCPI-UQBPGWFLSA-N 447.443 4.680 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 587538474 FELXULQKIJYKGE-PXNSSMCTSA-N 442.221 4.766 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1 587678767 LOQNFBMSOVPFCU-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587745083 JLYCSHJJBPLPSM-GIPWTMENSA-N 437.309 4.865 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 587709405 MDUARGNLPHZQKV-XXFAHNHDSA-N 433.199 4.837 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc([N+](=O)[O-])c1 587860596 YRSOJKMNPOWXPQ-UHFFFAOYSA-N 436.251 4.883 5 1 IJBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)N1 962947481 NNZRKXYEEDNUET-YCRPNKLZSA-N 433.537 4.975 5 1 IJBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587048139 FPIPUDIHHYGITR-UHFFFAOYSA-N 443.891 4.743 5 1 IJBF COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344653 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Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513458 SZPYRGYUSAAKHH-HSZRJFAPSA-N 430.460 4.750 5 1 IJBF CCCN1CCc2c(c3cc(OC)c(OC)cc3c3c(OC)c(OC)c(OC)cc23)C1 95574629 PAMFPKCXSWJIDM-UHFFFAOYSA-N 425.525 4.804 5 1 IJBF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)N1 962906791 ZGSGYYHTRIRGGO-SIKLNZKXSA-N 438.480 4.715 5 1 IJBF Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCOCC1 103144094 RGCAFITZESYYSV-UHFFFAOYSA-N 443.912 4.698 5 1 IJBF CCCCN[C@@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2C(=O)CC[C@H]12 103205342 AOQHSNORNSQRRV-AMGIVPHBSA-N 448.563 4.954 5 1 IJBF CC(=O)Nc1cc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] 587105202 SKDYUVZLZQUDOB-UHFFFAOYSA-N 425.400 4.685 5 1 IJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587514546 ZLWHZQDMHPDDBY-AREMUKBSSA-N 425.440 4.927 5 1 IJBF CC[C@@H]([C@@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4)[N+](=O)[O-] 1857644481 SGBOCKRVBRSLIW-GAJHUEQPSA-N 436.464 4.799 5 1 IJBF O=C(Nc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1)c1ccccc1 653866597 GZSGMHFMLNPMNU-UHFFFAOYSA-N 434.433 4.816 5 1 IJBF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148265 WRIQWFUYLAVVLT-UWJYYQICSA-N 437.544 4.597 5 1 IJBF O=[N+]([O-])c1ccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc3ccccc3s2)cc1 82174455 RMGDWQDNSBITGS-INIZCTEOSA-N 433.493 4.919 5 1 IJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 587027080 OUACYKCKFMVMQZ-IRWQIABSSA-N 428.489 4.747 5 1 IJBF O=C1CCCN1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 3940914 DNFYUGQOSDLSNQ-QHCPKHFHSA-N 431.492 4.659 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)[C@H](O)[C@@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103232400 SUDIGTAQRKSJKD-MZNJEOGPSA-N 439.487 4.741 5 1 IJBF C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105175835 AENNCVXPJRUIFB-XVSRIUFKSA-N 449.555 4.674 5 1 IJBF COc1cccc(-c2coc3cc4occ(-c5cccc(OC)c5)c(=O)c4c(O)c3c2=O)c1 653905164 NQXKKGSUPAFMCK-UHFFFAOYSA-N 442.423 4.956 5 1 IJBF NCC1CCC(CNc2nc(Nc3cc(Cl)cc(Cl)c3)ncc2[N+](=O)[O-])CC1 28898319 YJKNISLFURSVJE-UHFFFAOYSA-N 425.320 4.612 5 1 IJBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82134852 VAXQKKXIUDCNDC-JTSKRJEESA-N 445.523 4.972 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 587865782 IWDPVMKLMNZPLD-CYBMUJFWSA-N 449.385 4.984 5 1 IJBF N=c1sc(-c2ccnc([N+](=O)[O-])c2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 29465372 KFXHESLZCSQJOR-UHFFFAOYSA-N 436.202 4.709 5 1 IJBF CC1=CC(C)=[N+]2[C@@H]1[C@@H](c1ccc(OCCC[N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 1857764932 QJPCKEMKIJMVEV-RPWUZVMVSA-N 442.383 4.750 5 1 IJBF COc1cc2c(cc1OC)C[N+]1(Cc3ccccc3)CCc3cc4c(cc3[C@@H]1C2)OCO4 42876708 PDQOHBVCBCNUAB-UHFKCPIBSA-N 430.524 4.803 5 1 IJBF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)c(C)c1)c1cccc([N+](=O)[O-])c1 103205055 KZHQFXOZIFWLRI-GOSISDBHSA-N 443.776 4.663 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3cccc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] 587265803 SXFUQFXXUKMTDP-UHFFFAOYSA-N 426.274 4.762 5 1 IJBF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)CC2=O 587460250 LJMMEIHSQJWWBQ-IPQOISQHSA-N 447.871 4.878 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc13)O2 587391372 WGCHFVYCSOGATF-HXUWFJFHSA-N 437.452 4.930 5 1 IJBF COc1cc2c3c(c1)O[C@](C)(COc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O 587453876 PYIYDSJZAOLDNV-RXFWQSSRSA-N 428.440 4.540 5 1 IJBF CCNc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1[N+](=O)[O-] 587865724 GVQXGLSHPBZZKZ-UHFFFAOYSA-N 448.401 4.996 5 1 IJBF Cn1cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 962698006 HDBKYPDWRBSZBM-HXOBKFHXSA-N 438.528 4.587 5 1 IJBF COc1cc2c([C@H](O)CCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 40430021 MCYVKOUXLAXNAZ-JOCHJYFZSA-N 448.519 4.662 5 1 IJBF COc1ccc(Nc2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3nc2-c2ccccc2)cc1OC 40866756 GZQBZLLREYQXRO-UHFFFAOYSA-N 447.407 4.874 5 1 IJBF COC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c(OC)c1 87328081 DESJUPICQMYOMC-UHFFFAOYSA-N 438.461 4.794 5 1 IJBF O=[N+]([O-])c1ccc(-c2nn3c(Nc4nc5ccc(Cl)cc5s4)nnc3s2)cc1 98084336 LNUVKBVXLAEFAW-UHFFFAOYSA-N 429.874 4.768 5 1 IJBF O=C(c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133690 ZRTWZTAMYSWYTK-UHFFFAOYSA-N 433.020 4.911 5 1 IJBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCC(=O)OCC)c1ccc(OC)c([N+](=O)[O-])c1 963256814 FUMJMXTZYJMJIU-BVZFJXPGSA-N 440.540 4.847 5 1 IJBF CC1=C2C(=NC(=O)N(c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)N(c2ccccc2)N1 103918285 IZEUCQFAGDKYSJ-JOCHJYFZSA-N 425.448 4.973 5 3 IJBF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1 587014075 JAFBGPFMYGKSNT-UHFFFAOYSA-N 432.509 4.808 5 1 IJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 587511757 ILMIPKXZNSXTRP-SANMLTNESA-N 425.440 4.927 5 1 IJBF CC1(C)Cc2cccc(Oc3cc(NN4CCCCC4)c([N+](=O)[O-])cc3[N+](=O)[O-])c2O1 15936804 DBOVPEMHYKLROJ-UHFFFAOYSA-N 428.445 4.822 5 3 IJBF Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148587 MDTNWTXTJJLFSU-UHFFFAOYSA-N 447.539 4.743 5 1 IJBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(F)c1 587143859 BNKTWVXAKDFDDY-UHFFFAOYSA-N 436.355 4.859 5 1 IJBF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O 587433138 OVCUHFPADFCHDO-AVRWGWEMSA-N 447.443 4.680 5 1 IJBF CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 653767630 LPTRJFNBKZJPRA-SFHVURJKSA-N 437.540 4.774 5 1 IJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 587512829 OVBTUGAFFCWDST-GVMLUORFSA-N 430.504 4.944 5 1 IJBF Cc1cc(C)cc(-c2c(OCC[C@@H]3CCCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26579519 CHQBMOWBXUMZQU-INIZCTEOSA-N 441.915 4.894 5 1 IJBF C[C@](O)(CSc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28094081 UWJWKINSGOVARG-INIZCTEOSA-N 434.823 4.749 5 1 IJBF CC(C)COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587265528 VOMPDCFMDUEKMW-UHFFFAOYSA-N 449.261 4.767 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)O2 587383974 XVERFESFKZKWCL-HXUWFJFHSA-N 449.429 4.971 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Br)N1 587676940 JBVKIGZLQZVOOI-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CC(=O)c1ccc(NCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 653726402 SOUWQCNGEBHJRL-DEOSSOPVSA-N 442.475 4.587 5 1 IJBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 962919662 KIGFRWKIWLXOFE-GHTZIAJQSA-N 442.443 4.713 5 1 IJBF Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163593 HDWYJWAPFVYBND-UHFFFAOYSA-N 431.452 4.815 5 1 IJBF CC(C)CCOc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br 587268416 WTCYSOZMRWOIDI-UHFFFAOYSA-N 434.294 4.666 5 1 IJBF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4153247 NSTKWLOUBHKXPV-FPOVZHCZSA-N 445.903 4.655 5 1 IJBF Cc1ncc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1Br 586979323 WQIJGTZTUVMSBT-UHFFFAOYSA-N 426.068 4.675 5 1 IJBF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)CC2=O 587459992 KCPBFRSTHMDODI-JOCHJYFZSA-N 441.871 4.549 5 1 IJBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl 587048055 PLKXYLCOQXREBE-KXFIGUGUSA-N 431.779 4.588 5 1 IJBF COc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1C 587118440 NCJRZVOFPRIPJM-UHFFFAOYSA-N 431.374 4.719 5 1 IJBF CCCCCOc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br 587267779 QRLPUDZKNFUDHS-LBPRGKRZSA-N 436.310 4.917 5 1 IJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccc(F)cc3)cc(Cl)cn12 1857653636 UKDOKBULKXOUNJ-UHFFFAOYSA-N 445.859 4.676 5 1 IJBF C[C@@H]1CC(=O)c2c(c3c(c4c(-c5ccc([N+](=O)[O-])cc5)cc(=O)oc24)OC(C)(C)C=C3)O1 29133037 OHLVIQMCEVIJJA-GFCCVEGCSA-N 433.416 4.906 5 1 IJBF C[N+]1(C[C@@H]2c3cc(F)ccc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209466931 LQMXQUYWTHPKGP-XZOQPEGZSA-N 441.954 4.516 5 1 IJBF O=[N+]([O-])c1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587151842 UPXGZHJOXQTPJS-IBGZPJMESA-N 426.335 4.826 5 1 IJBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622848 IDLNIUHLNKJPNM-UHFFFAOYSA-N 429.230 4.559 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2Br)N1 587682447 ZAJOSCAOKNRDMV-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc([N+](=O)[O-])cc1 1772656524 GSJQFAGYXXXULA-UHFFFAOYSA-N 425.422 4.915 5 1 IJBF CN(C)c1ccc2c(-c3ccc(N4CCOCC4)cc3)c3ccc(=[N+](C)C)cc-3sc2c1 40934123 KXVITJPQVZAWEM-UHFFFAOYSA-N 444.624 4.608 5 1 IJBF CS(=O)(=O)c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586924523 BCGDKBWRFMMIJF-UHFFFAOYSA-N 443.868 4.987 5 1 IJBF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586974983 ZPJCFRPKTZNFSI-HSZRJFAPSA-N 427.533 4.770 5 1 IJBF O=[N+]([O-])c1cccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2nc3ccccc3s2)c1 82163609 KDPXXPIMPDXTLH-MRXNPFEDSA-N 433.493 4.919 5 1 IJBF CCCc1c(O)ccc2c1O[C@]1(CCOc3c([N+](=O)[O-])cc(Br)cc31)CC2=O 587457546 JYCRSZOUOYEJSN-HXUWFJFHSA-N 448.269 4.659 5 1 IJBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OCC(=O)C(C)(C)C 1857536948 TYWCKTICWRGHFJ-UHFFFAOYSA-N 444.507 4.721 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 587263237 KUZKYQVZILBKCE-QMMMGPOBSA-N 425.228 4.524 5 1 IJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513324 ROCCWKXRTOGVPG-QFIPXVFZSA-N 433.464 4.722 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 587717610 LJSOXBWMLWFDII-LZVRBXCZSA-N 429.236 4.767 5 1 IJBF COc1ccc(Cl)c2c1CCN[C@]2(Cc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 963256137 ALPRBGNBUIJDBL-XMMPIXPASA-N 448.910 4.765 5 1 IJBF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)c(C)c1)c1cccc([N+](=O)[O-])c1 103205057 KZHQFXOZIFWLRI-SFHVURJKSA-N 443.776 4.663 5 1 IJBF CC(C)COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br 587158757 ICVHXUNNOULNFT-UHFFFAOYSA-N 438.253 4.987 5 1 IJBF Cc1ccc(Oc2ccc([C@@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2[N+](=O)[O-])cc1 963507041 HKVMAZZDLJWXMU-UQBPGWFLSA-N 448.475 4.572 5 1 IJBF COc1cc2c(cc1OC)C[N+]1(Cc3ccccc3)CCc3cc4c(cc3[C@H]1C2)OCO4 42876710 PDQOHBVCBCNUAB-YFIOFSHDSA-N 430.524 4.803 5 1 IJBF O=[N+]([O-])c1cccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163636 FHQCITKMFXHVFF-UHFFFAOYSA-N 445.504 4.679 5 1 IJBF C[C@@]12CC[C@H]3[C@@H](Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CC[C@@]53C)[C@@H]1CCC2=O 169318124 CYEFAKCCVSSKBP-QGENRFSVSA-N 447.535 4.642 5 1 IJBF O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772629017 WCRZANWLFHMINP-UHFFFAOYSA-N 437.952 4.552 5 1 IJBF CCN(CCCCCN(C(C)=O)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 13738621 FNNJASPFRMWKET-SAPNQHFASA-N 437.540 4.676 5 1 IJBF CC[n+]1c(-c2ccccc2)c2cc(NC(=O)CCCC(=O)O)ccc2c2ccc(N)cc21 28821296 ZKGLLQJAHICJMC-UHFFFAOYSA-O 428.512 4.743 5 1 IJBF COc1ccc2c(c1O)Oc1ccc(cc1)CCC(=O)O[C@@H]1C[C@@H]2[N+]2([O-])CCCC[C@@H]2C1 238786152 DAXDGQJWTVXYJO-TYCCBXKASA-N 439.508 4.753 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1 587859320 DOLHAGHLRSOGLU-NSHDSACASA-N 438.271 4.570 5 1 IJBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CCC(C)(C)OC)CCC(C)(C)O4 238771544 KAFSPMPVODPUGB-UHFFFAOYSA-N 442.508 4.827 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCCC1 587575972 LPVMOZTTXGPOKG-RCZVLFRGSA-N 446.459 4.994 5 1 IJBF Oc1c(Br)cc(Br)c2nc3ccc(Br)cc3nc12 653873526 UABKAANPQJYKQO-UHFFFAOYSA-N 432.897 4.776 5 1 IJBF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc([N+](=O)[O-])cn1 587388910 HRUAMTYBWLPPPV-FQEVSTJZSA-N 435.436 4.778 5 1 IJBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2F)cn1 66078760 AKGIUANTUNQXHA-QGZVFWFLSA-N 443.328 4.926 5 1 IJBF COc1cc2c(cc1OC)C[N@+]1(Cc3ccccc3)CCc3cc4c(cc3[C@@H]1C2)OCO4 253806758 PDQOHBVCBCNUAB-NEKDWFFYSA-N 430.524 4.803 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 587681499 XOPCADUEMWVQTA-ZKANADHPSA-N 444.098 4.883 5 1 IJBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2c(Br)cc(Br)cc21 103213464 CIBANEZMLHWFMM-ZDUSSCGKSA-N 426.064 4.859 5 1 IJBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CC(=O)c1c([N+](=O)[O-])cccc12 961746073 CFTADVYBKJMBOI-VWLOTQADSA-N 449.507 4.576 5 1 IJBF CCCCCOc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587276852 OBMNUVKUZUIVBL-LBPRGKRZSA-N 436.310 4.803 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)[C@]1(CCC2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962637729 PCKUNLFWFUIPSE-IGKIAQTJSA-N 425.532 4.922 5 1 IJBF C[C@@H]1[C@H]2Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3[C@@]1(c1ccccc1)CCN2C 169320465 AGQGWEFITGZVDG-ADCSMLMYSA-N 442.515 4.996 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 587751757 OOFQIJJFXNKLDO-BIBXISHDSA-N 435.293 4.835 5 1 IJBF CC(=O)Oc1ccc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2c1O)OC(C)(C)C=C4 2356429658 DGEICEZPNFALMT-UHFFFAOYSA-N 436.460 4.976 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2[N+](=O)[O-])N1 587681238 RKHDRZJBIALDGO-VPTHRUTESA-N 444.098 4.883 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 587746430 JVUQHMMIVBAUPR-FKIZINRSSA-N 430.277 4.911 5 1 IJBF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82148841 UIDNVXAMTSUQAS-SLWXAUBPSA-N 449.555 4.770 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 587751407 MCYJEVIJXJISRN-FKIZINRSSA-N 430.277 4.911 5 1 IJBF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 28564997 UHPZARWNKXYBIY-CLJLJLNGSA-N 447.579 4.684 5 1 IJBF CCCC1=C(C(=O)OCC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(CCC)N1 49784891 JEUQMFCLJMDRRS-UHFFFAOYSA-N 430.501 4.516 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 587675916 BLCZKBSPEHXTAT-VPTHRUTESA-N 444.098 4.883 5 1 IJBF Cc1cccc2c1[C@@H](c1cccc(F)c1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963904808 TUEKYEXBRUURSE-QVKFZJNVSA-N 444.459 4.768 5 1 IJBF CC(C)c1ccc(COc2ccc(N(CCN)C(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 1772575745 UDQPWNNHHUQENY-UHFFFAOYSA-N 433.508 4.903 5 1 IJBF Cc1ccc2nc(Nn3c(-c4ccc([N+](=O)[O-])cc4)nnc3-c3cccnc3)sc2c1 103195967 WGPZMWCOCPJFDY-UHFFFAOYSA-N 429.465 4.709 5 1 IJBF CC(C)(C)OC(=O)NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCC(=O)CC1 587233821 DTKZCZPRBVQGHY-UHFFFAOYSA-N 431.496 4.522 5 1 IJBF CCOC(=O)[C@@]1(c2cc3ccccc3c3ccccc23)NCCc2c(C(=O)O)cccc21 963125748 SXRJRZQECBEMMN-HHHXNRCGSA-N 425.484 4.644 5 1 IJBF C[C@@]12CC[C@@H]3[C@@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 27327157 UYNSRKBUFVSFKD-BNCYKHGJSA-N 447.535 4.642 5 1 IJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 72123520 NMQRENXEEOAAEM-SNDJDQCESA-N 445.397 4.968 5 1 IJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1 261171770 TWMYBOAPLPGDEW-HPSBNLBRSA-N 426.560 4.989 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Br)N1 587676941 JBVKIGZLQZVOOI-VPTHRUTESA-N 444.098 4.883 5 1 IJBF CSc1nc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C=C1Cl)N2 66101313 GVNJBGNISFLQPS-HNNXBMFYSA-N 444.944 4.775 5 1 IJBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc([N+](=O)[O-])cc1 587390826 RQFOCQWVRDIIMY-QFIPXVFZSA-N 434.448 4.780 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C)cc1[N+](=O)[O-] 587865816 KFIANQLCAGQPMB-UHFFFAOYSA-N 449.385 4.903 5 1 IJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccccc3F)cc(Cl)cn12 1857774224 UOYQYYJWMXUHCR-UHFFFAOYSA-N 445.859 4.676 5 1 IJBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587109543 XUPMFIVXWFEHNJ-UHFFFAOYSA-N 430.136 4.618 5 1 IJBF Cc1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1[N+](=O)[O-] 587119021 UFGAJQFNYPVYCN-UHFFFAOYSA-N 446.345 4.618 5 1 IJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1 587271573 GQAREGKFIIJNBD-UHFFFAOYSA-N 430.464 4.763 5 1 IJBF CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82135343 YLVPTKKKUWAPEW-UHFFFAOYSA-N 437.544 4.693 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O 587431185 CQUOGWXRHFIHFH-DFBJGRDBSA-N 447.443 4.680 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 587557173 QQFWAMOJLSOKKH-YLJYHZDGSA-N 429.331 4.605 5 1 IJBF Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1Cl 586968439 RNPZHHPNXCCUMN-UHFFFAOYSA-N 435.296 4.959 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 587751408 MCYJEVIJXJISRN-MPBGBICISA-N 430.277 4.911 5 1 IJBF Cc1cccc2c1[C@H](c1cccc(F)c1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963904809 TUEKYEXBRUURSE-VFNWGFHPSA-N 444.459 4.768 5 1 IJBF CSc1ccc(SC[C@@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 28014845 VHHMYOMSJZQQII-QGZVFWFLSA-N 446.472 4.817 5 1 IJBF CC(C)(C)OC(=O)NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCC(=O)CC1 587234379 LKOQLYVNWAKBLK-UHFFFAOYSA-N 431.496 4.522 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] 587266991 DFTVYSYIOLFFIY-UHFFFAOYSA-N 431.374 4.898 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(=O)c5cc(C)ccc5oc4nc1C)[C@@H](C2)C3=O 587436528 QFJGWWXVAJXMPZ-SIBVEZHUSA-N 427.456 4.629 5 1 IJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2ccccc2[N+](=O)[O-])N2CCC1CC2 587472940 OROYIWMILFLUNM-AQIZGWBQSA-N 434.492 4.724 5 1 IJBF COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2C[C@@H]2CCCN3CCCC[C@@H]23)cc1 5544522 ZNPZRHFEKKYHGT-CVDCTZTESA-N 434.540 4.808 5 1 IJBF CC(=O)Oc1cc(C(=O)[C@H](Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC(C)=O 27754625 CKPUCCLDACZBLR-OAQYLSRUSA-N 447.443 4.655 5 1 IJBF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148266 WRIQWFUYLAVVLT-DYESRHJHSA-N 437.544 4.597 5 1 IJBF CCc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 586949125 QJCFBHBSLCITJT-UHFFFAOYSA-N 436.493 4.810 5 1 IJBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587391319 VADZYBPAEQEZDB-HSZRJFAPSA-N 433.464 4.813 5 1 IJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4cc(F)cc(F)c4)c3oc2c1OC 96932323 JQHNOLSDMBNZPL-UHFFFAOYSA-N 428.387 4.926 5 1 IJBF Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O 587512951 QEJNXAANHFKNFR-RUZDIDTESA-N 430.460 4.534 5 1 IJBF Cc1ccc(S(=O)(=O)Cc2nc(Nc3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 45316040 FCELUEWFNJVEPE-UHFFFAOYSA-N 434.477 4.564 5 1 IJBF O=C1c2cc([N+](=O)[O-])ccc2CC[C@H]1CCN1CCC(c2noc3cc(F)ccc23)CC1 103232436 XCJLVDRQFATWPP-KRWDZBQOSA-N 437.471 4.890 5 1 IJBF CC1=C(C(=O)OC(C)(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)(C)C)=C(C)N1 38428528 WLWXEUYUQXEKTI-UHFFFAOYSA-N 430.501 4.513 5 1 IJBF Cc1ccc(NC(=O)CSc2ncnn2-c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 72119967 ZJWIGMHMGMOTHE-UHFFFAOYSA-N 438.296 4.522 5 1 IJBF COC(=O)N(C)[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587481 NUBVKFJDHSDLPJ-QFIPXVFZSA-N 435.480 4.735 5 1 IJBF CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCCC[N+](C)(C)[O-])c1ccccc1 36184672 NWFWLXVUCFLSOQ-XMMPIXPASA-N 444.526 4.744 5 1 IJBF CCCCNc1ncc(C(=O)N2C[C@H](CC)CC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148591 GFQGLZBVQCQJMX-DLBZAZTESA-N 425.533 4.915 5 1 IJBF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)C2 100646753 NIAWVABUSUNUMW-YSFYHYPLSA-N 428.916 4.600 5 1 IJBF Nc1cc(Cl)ccc1Sc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 1911572959 IMPADDPSJNDYET-UHFFFAOYSA-N 428.853 4.911 5 1 IJBF C[C@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341688 ZQRDPDZAODFWOM-IFMALSPDSA-N 438.367 4.622 5 1 IJBF COc1ccc(CCn2c(-c3ccc(F)c([N+](=O)[O-])c3)nc3cc(C(=O)O)ccc32)cc1 43065546 CSQPJLPBHBITFD-UHFFFAOYSA-N 435.411 4.700 5 1 IJBF CC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1 43173283 IUQCOLZYHWWSOT-YIXHJXPBSA-N 442.431 4.703 5 1 IJBF CCCCN[C@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2C(=O)CC[C@@H]12 103205339 AOQHSNORNSQRRV-WXVAWEFUSA-N 448.563 4.954 5 1 IJBF CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O 114754878 LBMFXSVJMHVNBN-QFIPXVFZSA-N 431.448 4.622 5 1 IJBF C[C@@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 68248628 SKMAQZSSDQYMHA-IBGZPJMESA-N 435.358 4.587 5 1 IJBF Cc1cc(-c2c(O)cc(O)cc2C[C@H](C)O)c2c3c4c(cc(=O)cc-4oc2c1)C[C@H](C)O3 238787201 ZBHWFCDBQYHGLR-KBPBESRZSA-N 432.472 4.531 5 1 IJBF O=[N+]([O-])c1cc(/C=C\c2nc3cccc(I)c3[nH]2)ccc1Cl 587047804 NVUWGCDPEZUTIK-ALCCZGGFSA-N 425.613 4.900 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1[N+](=O)[O-] 587538862 GXYNLQMLVHIVGE-YLJYHZDGSA-N 442.221 4.766 5 1 IJBF COc1cccc2cc3c(nc12)[C@](c1ccccc1)(c1ccc(C)c([N+](=O)[O-])c1)NCC3 963046910 LQUBTILTENDSFA-SANMLTNESA-N 425.488 4.898 5 1 IJBF COc1ccc2c(c1OC)[C@@](COc1ccccc1[N+](=O)[O-])(C(C)(C)C)N(C)[C@H](C)C2 962622204 JPILNONNYQRHBJ-GYCJOSAFSA-N 428.529 4.809 5 1 IJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3ccccc3)C2)cc1 5579432 LMCUMVWDQKNIAM-NRFANRHFSA-N 437.477 4.570 5 1 IJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1 100391890 TWMYBOAPLPGDEW-TXDLGXNGSA-N 426.560 4.989 5 1 IJBF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc([N+](=O)[O-])ccc31)c1ccccc1CO2 100641899 JUTWGTYDKMQTFO-DJKKODMXSA-N 427.416 4.667 5 1 IJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1 261171780 TWMYBOAPLPGDEW-XYQHTRRXSA-N 426.560 4.989 5 1 IJBF CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc3cc4nc5ccccc5nc4cc3n12 299860948 KAYXGLFGTLPYND-UHFFFAOYSA-N 442.866 4.600 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(Br)c1 587541423 UNXUNLOZEPAVHB-XLIONFOSSA-N 442.221 4.766 5 1 IJBF Cc1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587744777 FQEHRFCQPHVXLZ-BFKBQSEMSA-N 448.336 4.658 5 1 IJBF CC[C@H]([C@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4)[N+](=O)[O-] 1857644482 SGBOCKRVBRSLIW-HXOBKFHXSA-N 436.464 4.799 5 1 IJBF COc1ccccc1/C=C/C(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 34636530 SMYAUOBKCWDREZ-MDWZMJQESA-N 430.420 4.509 5 1 IJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2=O 587466950 QYYIRUBUGRKGEN-QGZVFWFLSA-N 437.395 4.612 5 1 IJBF CCN(CC)c1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 587665567 SFUPKYSVJDXXTK-UHFFFAOYSA-N 444.491 4.821 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2[N+](=O)[O-])N1 587679061 PXOKAQKQXHPSPV-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CN(C)S(=O)(=O)c1ccc(OCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586931696 JKJMOFWNLCLZQS-UHFFFAOYSA-N 431.517 4.699 5 1 IJBF COC(=O)c1ccc(Oc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 587389582 LSAHGQBICFKPCZ-QFIPXVFZSA-N 448.431 4.771 5 1 IJBF C[C@@]12CCC(=O)c3nn(Cc4ccc([N+](=O)[O-])cc4)c(c31)C[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]12 27331812 CYEFAKCCVSSKBP-CNAKYOPWSA-N 447.535 4.642 5 1 IJBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2=O 587466949 QYYIRUBUGRKGEN-KRWDZBQOSA-N 437.395 4.612 5 1 IJBF CCN(CC)c1ccc(-c2nn(-c3cccc(F)c3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587666285 CQQSBHMAHMGIJK-UHFFFAOYSA-N 448.454 4.652 5 1 IJBF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C1CCCC1 587226092 OSFAHNGQRHKWAE-AWEZNQCLSA-N 439.310 4.990 5 1 IJBF CCCc1c2nc(C(=O)O)cc(/C=C/c3ccccc3)c2cc2c(=O)cc(C(=O)O)oc12 29223925 JMULJQNLTAIZGM-MDZDMXLPSA-N 429.428 4.861 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092239 TWEMSVIDYBDHLD-UHFFFAOYSA-N 433.209 4.950 5 1 IJBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cncc([N+](=O)[O-])c2[nH]1 587086399 IUTZYAGOSVIUTP-VOTSOKGWSA-N 429.267 4.897 5 1 IJBF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(CCc1ccc([N+](=O)[O-])cc1)C2 26145582 KFMLWKYJGFGILS-UHFFFAOYSA-N 441.940 4.724 5 1 IJBF CCN(CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])c(Nc2ccc3ncsc3c2)n1 64527565 RLLGKIGDNTVCEP-AWEZNQCLSA-N 429.550 4.661 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587752266 QHGDJEUASKKNJT-YBTHPKLGSA-N 435.293 4.619 5 1 IJBF CC(C)CCOc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587277190 QGZXTNKORNWFSS-GFCCVEGCSA-N 436.310 4.659 5 1 IJBF COc1cc2c3c(c1)O[C@@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)[C@@H](C2)C3=O 587417922 FSIFWRSCVWHKQT-OYHNWAKOSA-N 431.872 4.868 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1[N+](=O)[O-] 587573069 AZYWOVFYYYJJOI-ZJSXRUAMSA-N 428.400 4.794 5 1 IJBF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@@H]2c1ccc([N+](=O)[O-])cc1 104056736 QSKOPXMHNFGFMO-NOMGLIDZSA-N 430.486 4.635 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587749241 CZOSYFVUJDVQJN-GIPWTMENSA-N 435.293 4.619 5 1 IJBF O=[N+]([O-])c1ccc(-c2cc(CNCc3c[nH]c4ccc(Br)cc34)on2)cc1 653716374 XSUWUEQSAUXPGL-UHFFFAOYSA-N 427.258 4.783 5 1 IJBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)N1 962947478 NNZRKXYEEDNUET-BTYIYWSLSA-N 433.537 4.975 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2[N+](=O)[O-])N1 587675464 BSGDUBAYJSALTG-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587049389 HTZJDSWQHWRHDC-FPLPWBNLSA-N 441.875 4.823 5 1 IJBF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(Br)cc1[N+](=O)[O-])CC2=O 587459426 WRTVBAGRTQDDOT-HXUWFJFHSA-N 434.286 4.982 5 1 IJBF O=[N+]([O-])c1c(F)cc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1F 962963778 ZDMBOSSCZDDQKV-KRWDZBQOSA-N 428.357 4.633 5 1 IJBF Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O 587512953 QEJNXAANHFKNFR-VWLOTQADSA-N 430.460 4.534 5 1 IJBF CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])ccc21 35064561 HMINVLBEXOOHGM-UHFFFAOYSA-N 425.466 4.532 5 1 IJBF CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82135412 ICPYIMATAXBKOA-YESZJQIVSA-N 425.533 4.913 5 1 IJBF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163906 OLBXQHPXENHPIL-UHFFFAOYSA-N 445.479 4.987 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120461 KBTMVIBJTKJUNR-UHFFFAOYSA-N 444.089 4.661 5 1 IJBF Cc1nn(Cc2ccc([C@H]3c4ccsc4CCN3Cc3cccnc3)o2)c(C)c1[N+](=O)[O-] 963003834 DQRIUCKUCHNIOC-HSZRJFAPSA-N 449.536 4.654 5 1 IJBF CN(C(=O)Cc1ccc(Cl)c(Cl)c1[N+](=O)[O-])[C@H](CN1CCCC1)c1ccccc1 26575184 OCZACIDLYORNMN-GOSISDBHSA-N 436.339 4.740 5 1 IJBF CC(C)[C@H](NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 84713803 SJAIVGYRWIRMMF-INIZCTEOSA-N 428.794 4.904 5 1 IJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587867724 CPYAXBJUXNFPFG-UHFFFAOYSA-N 432.280 4.889 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1 587576208 NHFKRMSFEIXLLS-ZJSXRUAMSA-N 432.432 4.604 5 1 IJBF O=C(COC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 95576787 VYFUWICMILCYGI-UHFFFAOYSA-N 438.823 4.540 5 1 IJBF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328987 BHVLTXQPYUKTDK-NZQKXSOJSA-N 441.386 4.862 5 1 IJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 82135108 DWQLHUBEXDKADZ-ROUUACIJSA-N 439.560 4.795 5 1 IJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587108999 FNLYKCIXECGOTD-UHFFFAOYSA-N 445.151 4.751 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 587863408 ZOIJGEJIVOVAOP-ZDUSSCGKSA-N 449.385 4.902 5 1 IJBF CC(C)c1ccc2nc3ccc(C(=O)N[C@@H](C)CCCc4cccnc4)cn3c(=O)c2c1 27525626 DCNXKPFVMNEKDU-SFHVURJKSA-N 428.536 4.507 5 1 IJBF O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 49799607 LFKDQCVODYHILG-DEOSSOPVSA-N 449.482 4.997 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 587573001 ARCBGJPORHUSOI-DHLKQENFSA-N 446.459 4.994 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587695463 JZBXGTJHDMALEF-NIVTXAMTSA-N 443.700 4.956 5 1 IJBF CCOC(=O)c1c2c3ccc(S[C@@H](C)[C@]4(C)CSCO4)c4cccc(c-2nc1=O)c43 71294684 IBCFLQFWCYTALG-MYODQAERSA-N 439.558 4.866 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc2cc([N+](=O)[O-])ccc12 587579378 ZFFRHGWKOFXIPE-QPPBQGQZSA-N 429.384 4.862 5 1 IJBF CCn1c2cc(=NC(=O)CCCC(=O)O)ccc-2c2ccc(N)cc2c1-c1ccccc1 379420241 MIKQPKWCCRZXSY-UHFFFAOYSA-N 427.504 4.697 5 1 IJBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587047889 BSYBONGWTGFOLV-VOTSOKGWSA-N 445.838 4.654 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc13)O2 587391729 XVTMJZJBCFURGH-IBGZPJMESA-N 437.452 4.930 5 1 IJBF C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105175833 AENNCVXPJRUIFB-NVGWVTIJSA-N 449.555 4.674 5 1 IJBF Nc1ccc(-c2cc(-c3ccccc3)nc(NC[C@H]3CC[C@H](C(=O)O)CC3)n2)cc1[N+](=O)[O-] 299828652 RFOKLKNGIPKNDF-JCNLHEQBSA-N 447.495 4.604 5 1 IJBF CCCCCOc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br 587273284 JOAGJBAHZCAQOK-UHFFFAOYSA-N 436.310 4.632 5 1 IJBF O=[N+]([O-])c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)c(C(F)(F)F)c1 101613010 MTJUBCJNVJWLHX-NYTJIUQPSA-N 449.433 4.571 5 1 IJBF O=[N+]([O-])c1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 587265096 SVPIEBKHTGZRON-UHFFFAOYSA-N 445.151 4.751 5 1 IJBF O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2c(OCC[C@H]2CCCCN2)c1-c1cccs1 3822605 KOHSYYWXDQLZCT-GFCCVEGCSA-N 433.917 4.729 5 1 IJBF Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc(OCc4ccccc4)ccc3c(=O)c12 12405802 QUIJOUCLQZTTCJ-UHFFFAOYSA-N 427.416 4.928 5 1 IJBF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(O)c1 587241194 XGZBPEFUIMPYFQ-UHFFFAOYSA-N 436.855 4.987 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 587707528 VEJPNRHOGPKCIN-ABKXIKBNSA-N 433.199 4.837 5 1 IJBF COc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1[N+](=O)[O-] 587752544 RQPRBWFFOCFIQN-DYBLOJMWSA-N 434.265 4.610 5 1 IJBF COc1cc([N+](=O)[O-])ccc1OCCCCOc1c2ccoc2cc2oc(=O)ccc12 35969595 QYVAUKKINSYKGP-UHFFFAOYSA-N 425.393 4.694 5 1 IJBF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4153249 NSTKWLOUBHKXPV-PZJWPPBQSA-N 445.903 4.655 5 1 IJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4cc(F)ccc4F)c3oc2c1OC 96933388 ZPKPMCGXNSGYAX-UHFFFAOYSA-N 428.387 4.926 5 1 IJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@@H](c3cccs3)C2)cc1 31905898 LVGBDUHSSXVCTP-GOSISDBHSA-N 443.506 4.631 5 1 IJBF C[C@]12CCC(=O)c3nn(Cc4ccc([N+](=O)[O-])cc4)c(c31)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088084 CYEFAKCCVSSKBP-BUIQJFRMSA-N 447.535 4.642 5 1 IJBF CCOc1ccccc1[C@](N)(c1nc2c3cccnc3c3ncccc3c2[nH]1)C(F)(F)F 587092409 MDBQUQWFWOOZOZ-QFIPXVFZSA-N 437.425 4.823 5 1 IJBF CC[C@@H](C)CCC[C@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12 1857653039 AZOPYQAOEZDMBE-TWWFPWMWSA-N 438.524 4.609 5 1 IJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)c(Br)cc2[nH]1 587158722 GHOILBUZJQMIBT-UHFFFAOYSA-N 445.042 4.714 5 1 IJBF CCCc1c(O)ccc2c1O[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)CC2=O 587465864 IASBFGPEYYTQQF-DEOSSOPVSA-N 436.439 4.883 5 1 IJBF Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963094754 CZCPBAXXCIMSBZ-MRDQGFSESA-N 428.463 4.899 5 1 IJBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587049384 HTZJDSWQHWRHDC-BQYQJAHWSA-N 441.875 4.823 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3cc(Br)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267281 IBJHMMDEKRKHSS-UHFFFAOYSA-N 444.264 4.901 5 1 IJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(CC(C)C)CCN1C3 72112107 SVQQHBTYZIFDTH-GOSISDBHSA-N 434.580 4.717 5 1 IJBF O=C(Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1 95561942 LHXIXOUFOUIJIR-UHFFFAOYSA-N 438.248 4.830 5 1 IJBF O=[N+]([O-])c1nn(Cc2ccc([C@H]3NCCc4cc(-c5ccccc5)ccc43)o2)cc1Cl 962665150 JIDNSWSKHHGNSY-QFIPXVFZSA-N 434.883 4.988 5 1 IJBF CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 587181113 MTFYMDAVLANVNQ-ZETCQYMHSA-N 445.648 4.564 5 1 IJBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1[N+](=O)[O-] 587388422 BFEAHYDEHGSWOM-JOCHJYFZSA-N 434.448 4.780 5 1 IJBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)c(F)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587426388 MMEDBSSRMSLPGE-GAJHUEQPSA-N 449.390 4.596 5 1 IJBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCC1CCCCC1 775522 DHCXUOZUVHPWRF-UHFFFAOYSA-N 429.473 4.586 5 1 IJBF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(OC)cc([N+](=O)[O-])c4OC)[nH]c3c2)cc1 587261133 VQEMGQJUGJWUHM-UHFFFAOYSA-N 449.419 4.734 5 1 IJBF CC1=C2C(=NC(=O)N(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)N(c2ccccc2)N1 103918283 IZEUCQFAGDKYSJ-QFIPXVFZSA-N 425.448 4.973 5 3 IJBF C[N@+]1(CCCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261137694 MKNASJNZVVEVJG-UCGGBYDDSA-O 440.611 4.807 5 1 IJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCN(CC2CC2)CN1C3 72112430 AMZIVDKODQDYOU-SFHVURJKSA-N 432.564 4.819 5 1 IJBF COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261113 UMYZJDAPIRQHBA-UHFFFAOYSA-N 446.179 4.937 5 1 IJBF O=[N+]([O-])c1cccc(CCc2nc3c(Br)ccc(Br)c3[nH]2)c1 587269804 GZNVPXCBUIWBKW-UHFFFAOYSA-N 425.080 4.781 5 1 IJBF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)CC2=O 587460236 LJMMEIHSQJWWBQ-AMXDTQDGSA-N 447.871 4.878 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2[N+](=O)[O-])N1 587678620 KRDNBDYSFFUASY-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF NC(=O)CSC1=N[C@@H](c2cccc([N+](=O)[O-])c2)c2sc3ccc(Cl)cc3c2N1 1857555953 WBMUOXUIVJSCIT-HNNXBMFYSA-N 432.914 4.552 5 1 IJBF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3cnccc32)c(C)c1 84732744 UEKQXFHLXPSWGP-UHFFFAOYSA-N 447.520 4.985 5 1 IJBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587147439 NBWRTUUUXBMAFG-UHFFFAOYSA-N 434.200 4.579 5 1 IJBF COc1ccc(-n2c(Nc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)n[nH]c2=S)cc1 49784425 HCVSUKPUWSXZDN-UHFFFAOYSA-N 426.483 4.714 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 587573003 ARCBGJPORHUSOI-RCZVLFRGSA-N 446.459 4.994 5 1 IJBF COc1cccc(CN2C(=O)C[C@@H](c3ccc(C)cc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)c1 653746422 NPXHHSGJXVLRIZ-DMDYGQEQSA-N 446.503 4.612 5 1 IJBF C[C@@]1(c2cc([N+](=O)[O-])ccc2Cl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963187498 VBTZFDXLBUODCT-DYVFJYSZSA-N 449.212 4.783 5 1 IJBF O=[N+]([O-])c1ccc(N2CN3C(=C(O)[C@H]2c2cccc([N+](=O)[O-])c2)Nc2ccccc23)cc1 169332111 HQSQNRUCTUVLNR-HXUWFJFHSA-N 431.408 4.681 5 1 IJBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(F)F 587507511 QIQPRNFLIOUSAG-GOSISDBHSA-N 433.407 4.833 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc([N+](=O)[O-])c1 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CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1Cc1ccccc1 40566911 OSINYCSNZQPOGB-QFIPXVFZSA-N 435.480 4.621 5 1 IJBF C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587502683 SKUQMUIPAQYLLG-JOCHJYFZSA-N 428.872 4.880 5 1 IJBF CN(C)CCCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 27704977 IERZUQGRGAVFFP-UHFFFAOYSA-N 432.524 4.807 5 1 IJBF COCCNc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587262058 NEYROHOFQAVXNT-UHFFFAOYSA-N 449.305 4.746 5 1 IJBF O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1)c1cccc(Cl)c1 1857573393 RNXHVISKMLTALP-UHFFFAOYSA-N 435.827 4.893 5 1 IJBF O=C(Nc1ccccc1)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 621476571 XNIXIGGLXTUVNB-UHFFFAOYSA-N 437.411 4.801 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 587683217 VWNDJNLYNFSBBN-ZKANADHPSA-N 444.098 4.883 5 1 IJBF COc1cc2sc3ccc(-c4ccc(CN5CCOCC5)cc4)cc3c(=O)c2cc1OC 61969064 VVHVZTRASJTEQF-UHFFFAOYSA-N 447.556 4.931 5 3 IJBF 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5 1 IJBF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)[C@@H]1c1ccc(F)cc1 587337810 RVFCBXPMPRTYTR-NFBKMPQASA-N 439.370 4.616 5 1 IJBF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc([N+](=O)[O-])cc1 84462200 VTFXHLRRLPVBSX-SFQUDFHCSA-N 425.510 4.954 5 1 IJBF CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(NC(=O)CCCC(=O)O)cc21 28821297 MIKQPKWCCRZXSY-UHFFFAOYSA-O 428.512 4.743 5 1 IJBF COCCn1c(-c2cccc(Cl)c2)nn(-c2ccc([N+](=O)[O-])cc2Cl)c1=S 45302589 UDYMVRAJXXLUHZ-UHFFFAOYSA-N 425.297 4.932 5 1 IJBF O=C1OCCCN1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587496 STKHWLHESIEASL-QHCPKHFHSA-N 447.491 4.879 5 1 IJBF Cc1nc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2cc1Br 586980426 YNZXTVYSSRHKIA-UHFFFAOYSA-N 426.068 4.675 5 1 IJBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC[C@@]1(C)CCCC(C)(C)O1 1857572432 QGRRZEKCFPVMKA-XMMPIXPASA-N 428.481 4.742 5 1 IJBF NC(=O)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587037815 NODJTQCAHUVJRD-UHFFFAOYSA-N 447.501 4.998 5 1 IJBF COc1cccc2cc3c(nc12)[C@](c1cccc([N+](=O)[O-])c1)(c1ccccc1F)NCC3 963050306 XYOGHWYNXAMSJK-VWLOTQADSA-N 429.451 4.728 5 1 IJBF COC(=O)c1ccc(NCc2cncn2Cc2cccc([N+](=O)[O-])c2)cc1-c1ccccc1 40424397 PLZTXDIYJSTMQO-UHFFFAOYSA-N 442.475 4.905 5 1 IJBF O=C(O)c1cccc(C(=O)O)c1-c1c2cc(Cl)c(=O)cc-2oc2cc(O)c(Cl)cc12 84849192 CHGLKDXUBRPJLU-UHFFFAOYSA-N 445.210 4.974 5 1 IJBF COc1ccc([C@]2(CCC(C)(C)[N+](=O)[O-])c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962623673 IPMCRMHWXQJGFS-SSOJOUAXSA-N 442.556 4.668 5 1 IJBF COC(=O)c1ccc(NCc2cncn2Cc2ccccc2[N+](=O)[O-])cc1-c1ccccc1 40955302 SGWDJFIIDRPIDX-UHFFFAOYSA-N 442.475 4.905 5 1 IJBF C[N@+]12CCCC[C@H]1[C@@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 254127880 COVRFRZXBPXMME-APMFXMBPSA-N 441.595 4.856 5 1 IJBF COc1cc2c(cc1OC)S[C@H](C(=O)C[C@@H]1C=CC[N+](C)(Cc3ccccc3)CC1)C2 36286894 XXUAMLUZORJNNC-SXYYHFOHSA-N 438.613 4.903 5 1 IJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587027081 OUACYKCKFMVMQZ-IXDGSTSKSA-N 428.489 4.747 5 1 IJBF CN1CCN(c2ccc3nc(-c4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)[nH]c3c2)CC1 587272398 RZKVINQREZLBGY-UHFFFAOYSA-N 429.480 4.682 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2[N+](=O)[O-])N1 587681237 RKHDRZJBIALDGO-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CC[C@H](C)CCC[C@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12 1857653040 AZOPYQAOEZDMBE-WIRVKHDMSA-N 438.524 4.609 5 1 IJBF CSc1sc(-c2nnc(SC)n2-c2ccc([N+](=O)[O-])cc2)c2c1C(=O)CCC2 28360524 AFWIBDHDUYHAFL-UHFFFAOYSA-N 432.552 4.867 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 587747390 NJNOWGMIGIJXPB-YUNKPMOVSA-N 430.277 4.911 5 1 IJBF COc1ccc2c(c1)c1nn(CCN3CCCC3)c3cc4c(c(c13)n2C)C=CC(C)(C)O4 26578108 NYEXGQFBKZRKBN-UHFFFAOYSA-N 430.552 4.970 5 1 IJBF COc1cc2c(cc1OC)[C@H](c1ccccc1[N+](=O)[O-])N(CCOc1ccccc1)CC2 40891674 LHNJVWFGOZBFDI-VWLOTQADSA-N 434.492 4.639 5 1 IJBF C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C 82148469 AENNCVXPJRUIFB-LPNJYYIDSA-N 449.555 4.674 5 1 IJBF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587079644 JRGOSNCMYAWKBS-LBPRGKRZSA-N 434.681 4.611 5 1 IJBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1 1772576013 HQIADIOASMBOTQ-UHFFFAOYSA-N 430.848 4.581 5 1 IJBF O=c1oc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc2c(O)c1[N+](=O)[O-] 143271573 SMUVWQYHDZYMRS-UHFFFAOYSA-N 433.416 4.922 5 1 IJBF O=c1cc(NCc2ccc3c(c2)OCCO3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857617700 MQJNRCWZIBFNPI-UHFFFAOYSA-N 438.383 4.572 5 1 IJBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)nn2)c1 587270603 WHWRCIGBLFZIDS-UHFFFAOYSA-N 442.279 4.756 5 1 IJBF O=C(c1ccc(Cl)cc1I)c1coc2cc([N+](=O)[O-])ccc12 587279841 CZHWGFQITISQPD-UHFFFAOYSA-N 427.581 4.830 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 587750943 KQHXTMKNIFUNHN-ODXCJYRJSA-N 430.277 4.911 5 1 IJBF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055536 TYLXIONOIYDAHM-PKOBYXMFSA-N 436.295 4.910 5 1 IJBF O=C1OCCCN1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587497 STKHWLHESIEASL-HSZRJFAPSA-N 447.491 4.879 5 1 IJBF O=[N+]([O-])c1cc(F)cc2c1OCC[C@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644596 WXKRPVAWGVGGNO-RLWLMLJZSA-N 445.494 4.507 5 1 IJBF COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2n(C)c2cc(Cl)ccc12 469740564 QARASDYLZFENIJ-UHFFFAOYSA-N 441.940 4.597 5 1 IJBF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c1)[C@@H](C2)C3=O 587425232 AMKYRHIHUWIENH-UQBPGWFLSA-N 449.434 4.984 5 1 IJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C/c2ccccc2[N+](=O)[O-])N2CCC1CC2 587472943 OROYIWMILFLUNM-PNZYDNNZSA-N 434.492 4.724 5 1 IJBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587107611 CYPQSLCTUJRWDH-UHFFFAOYSA-N 430.136 4.618 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 587750945 KQHXTMKNIFUNHN-YUNKPMOVSA-N 430.277 4.911 5 1 IJBF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1cccc([N+](=O)[O-])c1 13831896 XJMWGISBXWPWGW-SFQUDFHCSA-N 425.510 4.954 5 1 IJBF O=[N+]([O-])c1cc2c(cc1/C=C/c1sc(Nc3ccccc3)n[n+]1-c1ccccc1)OCO2 29063834 QJUWCSHUEWODQF-VAWYXSNFSA-N 445.480 4.971 5 1 IJBF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 28564818 BUYMPOCSZLJXOY-CLJLJLNGSA-N 447.579 4.684 5 1 IJBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135311 XVJXAGLWQBKSEX-ZWKOTPCHSA-N 437.544 4.693 5 1 IJBF CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174523 FORGIJUVNBDRGM-UHFFFAOYSA-N 437.500 4.585 5 1 IJBF Cc1cc(-c2c(O)cc(O)cc2C[C@@H](C)O)c2c3c4c(cc(=O)cc-4oc2c1)C[C@H](C)O3 238784642 ZBHWFCDBQYHGLR-KGLIPLIRSA-N 432.472 4.531 5 1 IJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 963192255 ZYHDAVZAEUIILL-SJKOYZFVSA-N 440.761 4.702 5 1 IJBF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)c1C 586946709 CZNHFSGBFWDYRW-UHFFFAOYSA-N 440.456 4.695 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)cc2[nH]1 587261831 DCJYMWVGZBJALE-JTQLQIEISA-N 434.246 4.585 5 1 IJBF COc1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260890 KONULUALMBHIOP-UHFFFAOYSA-N 436.262 4.705 5 1 IJBF O=C1CCc2c(nc3cccc4c3c2CC4)[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587210124 FWUDAHRORVGYNN-HXUWFJFHSA-N 440.377 4.742 5 1 IJBF O=[N+]([O-])c1ccc(-c2cc([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)on2)cc1 962692541 BUHWSPCGGMHLGS-ZHRRBRCNSA-N 425.485 4.842 5 1 IJBF Cc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074758 XSMLWAKSDNTQCZ-UHFFFAOYSA-N 447.680 4.502 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(OC(F)(F)F)c2[nH]1 587264466 SEAQGFXKTJSYCO-JTQLQIEISA-N 439.346 4.721 5 1 IJBF CCCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 82147715 HUXNCHIZTNYIQN-UHFFFAOYSA-N 439.903 4.847 5 1 IJBF CCOc1cc([C@H]2NC(=O)N=C(c3ccccc3)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O 169702711 QOVFYKJDUHRDDL-RBBKRZOGSA-N 431.448 4.737 5 1 IJBF O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2c(OCC[C@@H]2CCCCN2)c1-c1cccs1 1487530 KOHSYYWXDQLZCT-LBPRGKRZSA-N 433.917 4.729 5 1 IJBF Cc1ccc(C(=O)Nc2cccc3cc(Oc4cncc(C(N)=O)c4)ccc23)cc1[N+](=O)[O-] 299835698 LDYQOABQTMSMFB-UHFFFAOYSA-N 442.431 4.595 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1 587542138 XGMUCWYZBUTIIG-FXAWDEMLSA-N 442.221 4.766 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996222 TUTFGDGUXDAGLX-UHFFFAOYSA-N 440.095 4.651 5 1 IJBF CC(=O)Nc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3[S@]2=O)cc1 5890698 HTXFPYPUHGNXTR-IPBJYNAHSA-N 433.489 4.927 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82149469 VCAHIURORKLBRS-HOTGVXAUSA-N 449.511 4.683 5 1 IJBF CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC 587669763 OJCJSRYYADOSBD-UHFFFAOYSA-N 431.448 4.758 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 587717618 LJSOXBWMLWFDII-YYSFKGJASA-N 429.236 4.767 5 1 IJBF COc1ccc2c(c1OC)C[N@@+]1(Cc3ccccc3)CCc3cc4c(cc3[C@@H]1C2)OCO4 253640358 ZTCXXLUNOLOKTQ-FIPFOOKPSA-N 430.524 4.803 5 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O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 963192257 ZYHDAVZAEUIILL-YVEFUNNKSA-N 440.761 4.702 5 1 IJBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587267295 IEGLZFDJMTYZNP-GFCCVEGCSA-N 436.310 4.773 5 1 IJBF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCn3nc([N+](=O)[O-])cc3C)c1)CC2=O 587471506 SDUGZAQRABREFU-OAQYLSRUSA-N 437.452 4.501 5 1 IJBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82136041 HUCCHPZHMPYVMG-UHFFFAOYSA-N 445.523 4.703 5 1 IJBF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587167510 SRYPUTDIAGYEMB-AWEZNQCLSA-N 448.252 4.742 5 1 IJBF O=[N+]([O-])c1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Cl 586959054 IIDRBHNBPFQVRM-VWLOTQADSA-N 442.722 4.627 5 1 IJBF CCCCCNS(=O)(=O)c1ccc(/N=c2\c3ccccc3[nH]c3cc(N)ccc23)cc1 26849089 AFBYGTGEWSQNEN-UHFFFAOYSA-N 434.565 4.604 5 1 IJBF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587198092 GJBNAKFGISZYEP-UHFFFAOYSA-N 427.417 4.726 5 1 IJBF O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 587280490 YLZJYBQNBQWRKB-UHFFFAOYSA-N 436.424 4.602 5 1 IJBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2)cc1F 587148101 ZZZUVZQKPGJWDE-UHFFFAOYSA-N 436.418 4.757 5 1 IJBF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328986 BHVLTXQPYUKTDK-NFBKMPQASA-N 441.386 4.862 5 1 IJBF COc1ccc(-c2coc3c(c(O)cc4occ(-c5ccc(OC)cc5)c(=O)c43)c2=O)cc1 653891174 TWCHPOVZCCAPMG-UHFFFAOYSA-N 442.423 4.956 5 1 IJBF O=[N+]([O-])c1cc(F)cc2c1OCC[C@@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644590 WXKRPVAWGVGGNO-QFQXNSOFSA-N 445.494 4.507 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135542 KQPUBXHIOZOPOI-IYBDPMFKSA-N 449.511 4.683 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232176 MOVSKIAHUCDZFR-UHFFFAOYSA-N 427.258 4.783 5 1 IJBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587266116 ZZAXRCVOQPUYKT-AWEZNQCLSA-N 431.477 4.696 5 1 IJBF COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82221488 NPYRRXUDNSVCAS-UHFFFAOYSA-N 431.452 4.678 5 1 IJBF O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc([N+](=O)[O-])cc2)C1)-c1ccccc1C4=O 586987144 KCQGEQNPGICLHD-GOSISDBHSA-N 436.423 4.707 5 1 IJBF COc1cc2c([C@@H](O)CCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 40430019 MCYVKOUXLAXNAZ-QFIPXVFZSA-N 448.519 4.662 5 1 IJBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587434347 TYEYEENCHZZZIR-GTXMWFPTSA-N 427.453 4.526 5 1 IJBF CSc1sc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920495 SAVLXLFYEMUADY-UHFFFAOYSA-N 431.948 4.757 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1[N+](=O)[O-])O2 587387150 ZSXHBVKWHNNRJN-OAQYLSRUSA-N 436.395 4.696 5 1 IJBF Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857541810 GQARDVLBHOQKSS-UHFFFAOYSA-N 440.268 4.898 5 1 IJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(C(C)=O)cc4)c3oc2c1OC 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4.516 5 1 IJBF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Oc1ccc([N+](=O)[O-])cn1 587432879 MCKCDUAVEAPYIK-OSPHWJPCSA-N 448.431 4.678 5 1 IJBF COc1cc2[nH]c3cc(Nc4ccc(CN5CCOCC5)cc4)ccc3c(=O)c2cc1Cl 1911574277 ZOQTVTXTUCTOGW-UHFFFAOYSA-N 449.938 4.919 5 1 IJBF O=C(c1ccccc1)n1c2ccccc2c2nnc(SCc3ccccc3[N+](=O)[O-])nc21 205093416 XRNVPANNLDYYFO-UHFFFAOYSA-N 441.472 4.869 5 1 IJBF COc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2ccc(Cl)cc2)nn1 299862354 JNLXCPCVQJMBHE-UHFFFAOYSA-N 430.895 4.505 5 1 IJBF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])cnc4[nH]3)c(=O)oc2c1C 586918757 SAHINTSLURGRAR-UHFFFAOYSA-N 434.452 4.525 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 587261871 DLGHERKDLFEOQU-MRVPVSSYSA-N 425.228 4.524 5 1 IJBF COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)ccc1OC(F)F 587645533 YGBSQRDFHBBBMR-UHFFFAOYSA-N 430.285 4.936 5 1 IJBF O=[N+]([O-])c1ccc(-n2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c([N+](=O)[O-])c1 27755852 JIBCGVZLCBDSMN-UHFFFAOYSA-N 436.255 4.616 5 1 IJBF C[C@@](O)(COC(=O)c1ccccc1Cl)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801532 OWRRKBQZSKHHBI-GOSISDBHSA-N 442.777 4.813 5 1 IJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)s1)C2 45255319 JNSLOPXUDXVAFC-ZDUSSCGKSA-N 425.388 4.516 5 1 IJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 587027079 OUACYKCKFMVMQZ-FMEYXAORSA-N 428.489 4.747 5 1 IJBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587434078 QTHYTHLIVPFOGI-CJFMBICVSA-N 446.459 4.713 5 1 IJBF O=C(Nc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1Cl 43335287 FRTXXIUMDPQLFC-UHFFFAOYSA-N 442.771 4.984 5 1 IJBF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)CC2=O 587471201 OSXDAFLNCXMXFH-OAQYLSRUSA-N 437.452 4.501 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2Br)N1 587678483 NSNLFXZUPJBQQD-VPTHRUTESA-N 444.098 4.883 5 1 IJBF CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587507692 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C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 587675915 BLCZKBSPEHXTAT-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331883 KIAHBYZZVFFUGV-NFBKMPQASA-N 441.386 4.645 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2[N+](=O)[O-])N1 587678622 KRDNBDYSFFUASY-VPTHRUTESA-N 444.098 4.883 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(O)c([N+](=O)[O-])c1 587860536 WKSRPBAUIORLIS-UHFFFAOYSA-N 436.251 4.752 5 1 IJBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148784 OAPQYUPXHICJCU-QZTJIDSGSA-N 437.544 4.693 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550007 VBFGKWQHPIYMJX-GCJKJVERSA-N 441.823 4.839 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 587707751 WPFCLBAMEHSWMT-FVMDXXJSSA-N 433.199 4.837 5 1 IJBF O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(OC(F)F)c(OCC2CC2)c1 1857641367 ZWIBDPZQGFGUOO-UHFFFAOYSA-N 435.408 4.847 5 1 IJBF Cc1cc(NCCN(C)C)c2ccc3c(ccc4c(NCCN(C)C)cc(C)nc43)c2n1 71297071 QJXFWXYBARCUGE-UHFFFAOYSA-N 430.600 4.500 5 1 IJBF CN(CCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194210 OHIGAUGRCVOXHP-UHFFFAOYSA-N 442.475 4.895 5 1 IJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587268355 SSIINJWZPZQSDS-UHFFFAOYSA-N 432.200 4.621 5 1 IJBF COc1ccc(CN2C(=O)C[C@@H](c3ccc(C)cc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 653721972 VZQXXJMSQQJWLH-DMDYGQEQSA-N 446.503 4.612 5 1 IJBF Cc1oc(-c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 82174519 OCSBDUDWGWUHHQ-UHFFFAOYSA-N 443.463 4.519 5 1 IJBF Cc1ccc(NC(=O)CSCCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586970118 GNTQBHZJIFURST-UHFFFAOYSA-N 427.533 4.882 5 1 IJBF Cc1cc(-c2c(O)cc(O)cc2C[C@H](C)O)c2c3c4c(cc(=O)cc-4oc2c1)C[C@@H](C)O3 2356408258 ZBHWFCDBQYHGLR-UONOGXRCSA-N 432.472 4.531 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587577337 RWRIXPKGEXSFLJ-GBXCKJPGSA-N 435.432 4.748 5 1 IJBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CC[C@@H]1OC1(C)C 142500013 DOPKCWJTPHSJML-LTMNZSFGSA-N 426.465 4.518 5 1 IJBF Cc1ccc(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c([N+](=O)[O-])c1 587652749 HXSIBRLHOIDALW-UHFFFAOYSA-N 449.850 4.534 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 587862954 MWTWYEJUATVWPD-LBPRGKRZSA-N 435.358 4.593 5 1 IJBF CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4[nH]3)o2)C1=O 1857616399 MFZDOHADQMTDAT-ZSOIEALJSA-N 430.467 4.660 5 1 IJBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 587160330 BGAFWDWYJLCLDO-UHFFFAOYSA-N 446.847 4.731 5 1 IJBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC 775530 XONOQXBMWTXLFN-UHFFFAOYSA-N 445.516 4.875 5 1 IJBF C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331893 KIAHBYZZVFFUGV-OFNKIYASSA-N 441.386 4.645 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 587577350 RYHWXJVMNSEASO-URXFXBBRSA-N 428.400 4.794 5 1 IJBF CCCCNc1ncc(C(=O)N2C[C@H](CC)CC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148596 GFQGLZBVQCQJMX-IAGOWNOFSA-N 425.533 4.915 5 1 IJBF CCCOc1cc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br 587262309 QMZMWRQABVGULC-UHFFFAOYSA-N 449.305 4.748 5 1 IJBF Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746776 LEOIBLUCUHZJAL-BUNWUOFNSA-N 448.336 4.658 5 1 IJBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(F)cc2)c1O 587943288 UMUCAZBIQHPYEQ-UHFFFAOYSA-N 425.185 4.813 5 1 IJBF O=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 29135779 JWZVSOAABRQMJR-UHFFFAOYSA-N 427.800 4.988 5 1 IJBF COc1ccc2c(C)c(CCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(=O)oc2c1C 586917713 HYSJISRIRLRCKU-UHFFFAOYSA-N 427.844 4.642 5 1 IJBF Cc1cc2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2cc1[N+](=O)[O-] 587032568 UNRWWVQOHHCIQK-LBMJDHPKSA-N 429.527 4.906 5 1 IJBF CCCCNC[C@@H](O)COc1cc(OCc2ccccc2)c2c(=O)c3ccccc3oc2c1 1772653046 VSLVUZOBLPBVCS-HXUWFJFHSA-N 447.531 4.655 5 1 IJBF C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1 34802352 FHBGWWMCNBBQMJ-UHFFFAOYSA-O 426.584 4.765 5 1 IJBF O=[N+]([O-])c1cc(F)cc2c1OCC[C@@]21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643898 WXKRPVAWGVGGNO-HFZDXXHNSA-N 445.494 4.507 5 1 IJBF O=c1cc(-c2cccc([N+](=O)[O-])c2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 1857591054 CEVHSQCXAJTJKC-UHFFFAOYSA-N 434.761 4.937 5 1 IJBF C[C@]12CC[C@H]3[C@@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 27327170 UYNSRKBUFVSFKD-SYEHWYHSSA-N 447.535 4.642 5 1 IJBF COC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 587388665 FUCOQGTYMKROTA-JOCHJYFZSA-N 448.431 4.771 5 1 IJBF O=[N+]([O-])c1cccc([C@@H]2N=C(N3CCOCC3)Nc3c2sc2ccc(Cl)cc32)c1 1857591074 HSSXKEKVZNMFQZ-KRWDZBQOSA-N 428.901 4.666 5 1 IJBF CSc1sc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919571 BEXBKQBUKDVRLZ-UHFFFAOYSA-N 431.948 4.757 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082072 JOFOGRMDQLJPQV-UHFFFAOYSA-N 448.664 4.787 5 1 IJBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cncc([N+](=O)[O-])c2[nH]1 587086398 IUTZYAGOSVIUTP-SREVYHEPSA-N 429.267 4.897 5 1 IJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587512817 OTJWMFGBBFCQIG-SANMLTNESA-N 441.439 4.633 5 1 IJBF COc1c(O)cc2oc3c(N)c(O)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C 169345101 AFQACLYXIQNLSH-UHFFFAOYSA-N 429.513 4.831 5 1 IJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(C)ccc(C)c2[nH]1 586949210 VCKCVSDKCCQPAD-UHFFFAOYSA-N 436.493 4.864 5 1 IJBF COc1cc2c3c(c1)O[C@](C)(COc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O 587450214 FALLSKAWKLAQCG-CCLHPLFOSA-N 442.467 4.848 5 1 IJBF COc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 1857634888 GRQFSIPUQZVXIZ-UHFFFAOYSA-N 430.380 4.598 5 1 IJBF O=[N+]([O-])c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Cl 587184743 VJFDQFIKSMELQS-PLNGDYQASA-N 425.613 4.900 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 587263651 NFHNJPRSQGTZQH-MRVPVSSYSA-N 425.228 4.524 5 1 IJBF CCCCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587263892 HPHCFADXLUWJFC-UHFFFAOYSA-N 449.261 4.912 5 1 IJBF Cc1nn(Cc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)o2)c(C)c1Br 587280010 YHJASWIESCETSV-UHFFFAOYSA-N 444.241 4.789 5 1 IJBF O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NC1CCCCC1 1860803 JDKVNGJJWPSNIS-UHFFFAOYSA-N 437.341 4.949 5 1 IJBF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)no2)n1 587118154 JXIPLWIJMSMFNH-UHFFFAOYSA-N 435.369 4.578 5 1 IJBF Cc1cc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1[N+](=O)[O-] 587660636 IJOOPZZNZZSXAS-HNNXBMFYSA-N 447.422 4.527 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577873 UIHBCYVSCDJNAK-URXFXBBRSA-N 433.416 4.502 5 1 IJBF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC(C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 653759960 QTFRZJCIUWIREP-GOSISDBHSA-N 437.540 4.774 5 1 IJBF O=[N+]([O-])c1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587151845 UPXGZHJOXQTPJS-LJQANCHMSA-N 426.335 4.826 5 1 IJBF COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261005 PBTVHAFJEWAXCG-UHFFFAOYSA-N 446.179 4.937 5 1 IJBF CN(CCc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194657 XISRFWYKUXEMJD-UHFFFAOYSA-N 442.475 4.895 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 587678772 LOQNFBMSOVPFCU-VPTHRUTESA-N 444.098 4.883 5 1 IJBF COc1ccc([C@@H]2[C@@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1OC 1772613334 SDHYWARWTJBHLS-HOYKHHGWSA-N 430.464 4.619 5 1 IJBF C[C@]12O[C@H](C[C@]1(C)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 1857568619 ZSRKCPYODJUHTE-MERSGSKISA-N 437.499 4.750 5 1 IJBF Cc1cc(-c2c(O)cc(O)cc2C[C@@H](C)O)c2c3c4c(cc(=O)cc-4oc2c1)C[C@@H](C)O3 2356408259 ZBHWFCDBQYHGLR-ZIAGYGMSSA-N 432.472 4.531 5 1 IJBF COc1cc(N[C@@H](C)CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ncccc2c1 169327390 IADFPFFRLWJXJT-DVQDXYAYSA-N 434.496 4.562 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 587746434 JVUQHMMIVBAUPR-MPBGBICISA-N 430.277 4.911 5 1 IJBF O=C1c2ccccc2N[C@@]23c4c(ccnc4-c4nc5ccccc5c5ccnc2c45)NC[C@@H]13 15209867 YOVPRBYGUQOXLY-SOKVYYICSA-N 427.467 4.752 5 1 IJBF biogenic COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550006 VBFGKWQHPIYMJX-AVRDEDQJSA-N 441.823 4.839 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550008 VBFGKWQHPIYMJX-PGRDOPGGSA-N 441.823 4.839 5 1 IJBF O=c1[nH]ccc2c(Nc3c(Cl)cc([C@H](O)C(F)F)cc3Cl)nc3ccncc3c12 103239771 SRKIVHVOPUXVOR-INIZCTEOSA-N 437.233 4.820 5 1 IJBF O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 586998778 RCHGPHHUOQOBJV-UHFFFAOYSA-N 425.242 4.875 5 1 IJBF COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097418 HDYFOPXRJFZXBR-QFIPXVFZSA-N 440.455 4.948 5 1 IJBF CC(C)(C)OC(=O)N(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C[C@@H]1CCCO1 587197085 IDAJAIJQUMSHIU-HNNXBMFYSA-N 433.512 4.575 5 1 IJBF O=c1cccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)n1CCOc1ccccc1Cl 587064040 KGNMJOOTWKZMMW-UHFFFAOYSA-N 445.262 4.686 5 1 IJBF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc([N+](=O)[O-])c4)c1)[C@@H](C2)C3=O 587432697 KUZAAZMLYCSYFD-NBGIEHNGSA-N 447.443 4.680 5 1 IJBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12 587622438 BHGSMFQYEZNEJJ-UHFFFAOYSA-N 429.230 4.559 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 587865810 KCPCSNWNRJRCGW-UHFFFAOYSA-N 449.385 4.767 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)O2 587388992 IPCULFAOBOBJIM-VWLOTQADSA-N 445.475 4.927 5 1 IJBF CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(CNC(=O)OC)ccc1c32 838524 YHQNTZISXXZJOQ-UHFFFAOYSA-N 440.569 4.611 5 1 IJBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149585 YZIQOOWOYZLLLJ-IAGOWNOFSA-N 437.544 4.915 5 1 IJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 587512833 OVBTUGAFFCWDST-LMSRTUJASA-N 430.504 4.944 5 1 IJBF O=C(NCc1ccccc1)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135620 ASTNQGAQDJSGCQ-UHFFFAOYSA-N 431.496 4.726 5 1 IJBF CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82216949 WWVIFHUONNWOCI-UHFFFAOYSA-N 437.544 4.598 5 1 IJBF CCN(C)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105176997 NIAULWWYYYYKLV-JKTDJZPLSA-N 437.544 4.626 5 1 IJBF COc1cc2c(cc1OC)[C@@H](c1ccccc1[N+](=O)[O-])N(CCOc1ccccc1)CC2 40891675 LHNJVWFGOZBFDI-RUZDIDTESA-N 434.492 4.639 5 1 IJBF O=[N+]([O-])c1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1F 587022218 WCNBCNNQYRNYCF-UHFFFAOYSA-N 432.440 5.539 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587137742 JCXSFGYNUQXRIH-UHFFFAOYSA-N 433.006 4.941 5 1 IJBF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC2=O 587462909 SMESGNMLEKATLP-NRFANRHFSA-N 432.860 4.659 5 1 IJBF COc1cc(C[C@]2(C)c3ccsc3CCN2Cc2cccn2C)c([N+](=O)[O-])cc1OC 962396127 FHPYDJSDUVCAOE-HSZRJFAPSA-N 441.553 4.528 5 1 IJBF C[C@@]12CCC(=O)c3c1c(nn3Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088050 UYNSRKBUFVSFKD-LWKKZUAWSA-N 447.535 4.642 5 1 IJBF O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1)c1cccc(Cl)c1 1857584173 JDPFPMCKMCYPLE-UHFFFAOYSA-N 435.827 4.893 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O 587434640 XKYXRMJCFOCYFU-UUOWRZLLSA-N 433.416 4.893 5 1 IJBF CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645579 DJPAKJSLNBROOM-UHFFFAOYSA-N 436.205 4.524 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2Br)N1 587682448 ZAJOSCAOKNRDMV-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF COc1ccc2c(n1)Sc1c3c(c4ccccc4c1=N2)=Nc1cc([N+](=O)[O-])ccc1O3 1857747246 HJMLOBYTZXUCID-UHFFFAOYSA-N 428.429 4.625 5 1 IJBF O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NCc1ccccc1 1860801 VUAGFSYOPZXUCQ-UHFFFAOYSA-N 445.320 4.817 5 1 IJBF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587043822 VPMRAZCGHQNNFI-HXUWFJFHSA-N 431.908 4.968 5 1 IJBF C[C@@](O)(COC(=O)c1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801530 FSEJLIRZPRZRPN-GOSISDBHSA-N 442.777 4.813 5 1 IJBF CCN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82136171 CKDKENPMTKPZTF-UHFFFAOYSA-N 433.512 4.559 5 1 IJBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1)c1c[nH]c2ccccc12 299830120 MQKCSBOYYAAVLK-JXMROGBWSA-N 436.855 4.953 5 1 IJBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587232994 FKKLWJCAZWKHMK-VXGBXAGGSA-N 439.310 4.785 5 1 IJBF COc1cc(C[C@@]2(C)c3ccsc3CCN2Cc2cccn2C)c([N+](=O)[O-])cc1OC 962396128 FHPYDJSDUVCAOE-QHCPKHFHSA-N 441.553 4.528 5 1 IJBF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)NCC2 962935868 NLWHTMRWDSPRBA-VWLOTQADSA-N 449.482 4.637 5 1 IJBF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134643 YWHCZAMJORPEQW-DYESRHJHSA-N 437.544 4.597 5 1 IJBF NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc12 95593223 WXGUQSXRZVQOFV-UHFFFAOYSA-N 433.464 4.827 5 1 IJBF CCOc1cc2oc(=O)c(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)cc2cc1Br 587000781 VJSLCLLGWSPBDC-UHFFFAOYSA-N 444.241 4.714 5 1 IJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587158311 BZGWGFQVRHKHFE-UHFFFAOYSA-N 434.143 4.971 5 1 IJBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)cc1 28961972 BNNXTUGRDIUUBD-SANMLTNESA-N 442.519 4.783 5 1 IJBF COc1ccc(CCc2cnc3c(N)nc4cc(/C=C/P(=O)(O)O)ccc4c3c2)c(C)c1 116440389 KYHIRTBCIMVJCB-MDZDMXLPSA-N 449.447 4.616 5 1 IJBF CC(C)COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OCC(C)C)c2)ccc1C(=O)O 299851079 DWRDXRCVAUYHPW-UHFFFAOYSA-N 430.457 4.615 5 1 IJBF CC1=C(Cn2c3ccc(Br)c(=O)c-3nc3ccccc32)[C@H](O)CC(C)(C)C1 2356798856 SXMVEBCGUUDGOV-LJQANCHMSA-N 427.342 4.761 5 1 IJBF O=C(CCc1cc(-c2ccco2)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1)Nc1ccccc1 1620601 XKFYPELUQORZIP-UHFFFAOYSA-N 447.407 4.520 5 1 IJBF Cc1cc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2[N+](=O)[O-])nc(C)c1Br 169351039 PRDAOKBSVUAOGO-MRXNPFEDSA-N 442.722 4.801 5 1 IJBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(C)cc3Br)c[n+]12 299844548 DXOSJFIKHNFOJE-UHFFFAOYSA-O 435.301 4.708 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587137737 IUXQXULOPMABQH-UHFFFAOYSA-N 433.006 4.941 5 1 IJBF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587429929 XRWAHPLFFVTZOX-UQBPGWFLSA-N 449.434 4.984 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccccc1)c1cc([N+](=O)[O-])ccc1C 963052839 DYLAZBIDKLWITO-AREMUKBSSA-N 425.488 4.898 5 1 IJBF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207485 XOKCLLZLYAZNKY-PKOBYXMFSA-N 436.295 4.910 5 1 IJBF COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 29131916 BIQGJTBUQYXACH-UHFFFAOYSA-N 433.508 4.629 5 1 IJBF C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105176151 UIDNVXAMTSUQAS-JKMAKKBCSA-N 449.555 4.770 5 1 IJBF O=[N+]([O-])c1cnn(COc2ccc([C@H]3NCCc4cc(-c5ccccc5)ccc43)cc2)c1 962672388 XDPKGUHCCGEWMD-RUZDIDTESA-N 426.476 4.730 5 1 IJBF CC[C@@H](C)CCC[C@@H](C(=O)OC)C(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356789025 CUIFJEVBMVOGGS-CRAIPNDOSA-N 436.508 4.758 5 1 IJBF O=C(Nc1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1)c1ccc(Br)cc1 586986620 YGTYFLIPDGKHDX-UHFFFAOYSA-N 438.241 4.548 5 1 IJBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccccc3)cc2[nH]1 587267272 WFWAQHHRYMVNOA-LRTDBIEQSA-N 449.423 4.706 5 1 IJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148779 OAPQYUPXHICJCU-ROUUACIJSA-N 437.544 4.693 5 1 IJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1 100391888 TWMYBOAPLPGDEW-IUVOSCESSA-N 426.560 4.989 5 1 IJBF CNC(=O)Nc1ccc2c(c1)nc(SCc1cc([N+](=O)[O-])ccc1OC)n2C(C)C 28524053 LPLAMOIJQWFSEP-UHFFFAOYSA-N 429.502 4.578 5 1 IJBF O=[N+]([O-])c1cccc(CCc2nc3cc(Br)c(Br)cc3[nH]2)c1 587269551 FRJHKZZTYJJRJQ-UHFFFAOYSA-N 425.080 4.781 5 1 IJBF O=C(O)CCNc1nc(Nc2ccc(Oc3ccccc3)cc2)nc2ccc([N+](=O)[O-])cc12 71296621 BFVCSZBKJCEOMH-UHFFFAOYSA-N 445.435 4.961 5 1 IJBF COc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260717 AZIIUJLWSCBQOU-UHFFFAOYSA-N 446.179 4.937 5 1 IJBF COC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 587265790 STWWVILGINXYFE-UHFFFAOYSA-N 442.225 4.947 5 1 IJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C/c2ccccc2[N+](=O)[O-])N2CCC1CC2 587472941 OROYIWMILFLUNM-CBYYHRJHSA-N 434.492 4.724 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc([N+](=O)[O-])c1 587865997 SEWAIRKLJQSFBR-UHFFFAOYSA-N 435.358 4.595 5 1 IJBF Nc1c2c(nc3c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284166 JBAXSCCUCJLJCH-LJQANCHMSA-N 441.443 4.843 5 1 IJBF CCOc1ccccc1[C@@](N)(c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(F)(F)F 587093567 UQGMQPDUGLFBNK-JOCHJYFZSA-N 437.425 4.823 5 1 IJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Br)ccc(Br)c2[nH]1 587159777 XXAXDTSNLJFAGR-UHFFFAOYSA-N 445.042 4.714 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 587557149 QQFWAMOJLSOKKH-FXAWDEMLSA-N 429.331 4.605 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587577342 RWRIXPKGEXSFLJ-RDPSFJRHSA-N 435.432 4.748 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1[N+](=O)[O-] 587859982 KOYNZDDFKFNRPU-UHFFFAOYSA-N 436.251 4.883 5 1 IJBF COc1cc2c(cc1OC)[C@](C)(c1ccc(Br)cc1[N+](=O)[O-])N(C)[C@H](C)C2 962636076 VRTXNKIEEGUJQY-ODXCJYRJSA-N 435.318 4.514 5 1 IJBF N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1F 587145309 WILBHRCSJHXRRK-CQSZACIVSA-N 436.288 4.803 5 1 IJBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)nn2)c1 587270698 YXJINCNWMUIKRZ-UHFFFAOYSA-N 439.460 4.996 5 1 IJBF O=C1NC(=O)c2c1c1c3ccc(OCc4ccccc4)cc3[nH]c1c1[nH]c3ccncc3c21 40953763 MHKJVRFSWIHODA-UHFFFAOYSA-N 432.439 4.813 5 1 IJBF CCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O 587743202 CNCHHVJOIQEZJS-MLCYQJTMSA-N 439.281 4.614 5 1 IJBF Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@@H]2c3ccsc3CCN2Cc2cccnc2)n1 962995395 GBULRSWKDPYSBM-JOCHJYFZSA-N 447.520 4.725 5 1 IJBF COc1ccc2cc([C@H](C)c3nnc4n3N=C(c3ccc([N+](=O)[O-])cc3)CS4)ccc2c1 653705360 YKEXOARJGLCUEY-AWEZNQCLSA-N 445.504 4.858 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@@]31CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 963035485 NFEAOJDQWPWPIR-NTKDMRAZSA-N 448.479 4.759 5 1 IJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)c(F)c2[nH]1 587265031 LBUJIHUYMNDACF-LURJTMIESA-N 442.176 4.593 5 1 IJBF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2O1 587576367 OBDTZGDUBLOYDS-YKSBVNFPSA-N 433.416 4.719 5 1 IJBF COc1ccccc1-c1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O 587943633 LNMMIBCGPYBMIB-UHFFFAOYSA-N 437.221 4.682 5 1 IJBF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587244899 OUACTVVHZUXACL-UHFFFAOYSA-N 434.459 4.799 5 1 IJBF CCCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 82135626 PNRXCNDKJKYUMA-UHFFFAOYSA-N 439.903 4.847 5 1 IJBF COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CCC(C)(C)O 14727632 VBDCHHUTCPDCDY-UHFFFAOYSA-N 442.508 4.587 5 1 IJBF biogenic Cc1ccc(C(=O)Nc2cccc3c(Oc4cncc(C(N)=O)c4)cccc23)cc1[N+](=O)[O-] 299819873 BOMNRFCCNNNOIO-UHFFFAOYSA-N 442.431 4.595 5 1 IJBF CC1=C(Cn2c3ccc(Br)c(=O)c-3nc3ccccc32)[C@@H](O)CC(C)(C)C1 2356798855 SXMVEBCGUUDGOV-IBGZPJMESA-N 427.342 4.761 5 1 IJBF COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCC(C)C)c2)c(OCC(C)C)c1 169447764 ILJVPKAGGUAOAT-UHFFFAOYSA-N 444.484 4.703 5 1 IJBF COc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1[N+](=O)[O-] 587752004 PNLWGEXBQAAALN-LZVRBXCZSA-N 434.265 4.610 5 1 IJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(OC(F)F)cc3)cc1)C2 72122760 TXRROLXTHIIJOW-SNDJDQCESA-N 443.406 4.551 5 1 IJBF CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174064 TYHJEIDYUVBKPT-UHFFFAOYSA-N 427.530 4.966 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 587538475 FELXULQKIJYKGE-XLIONFOSSA-N 442.221 4.766 5 1 IJBF O=[N+]([O-])c1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 587264657 PDBNIJIPANLIQI-UHFFFAOYSA-N 445.151 4.751 5 1 IJBF C[C@@]12CCC(=O)c3nn(Cc4ccc([N+](=O)[O-])cc4)c(c31)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088082 CYEFAKCCVSSKBP-LWKKZUAWSA-N 447.535 4.642 5 1 IJBF CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O 114754639 CKYLUTWAKNOUEY-HXUWFJFHSA-N 437.477 4.683 5 1 IJBF CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O 114754875 LBMFXSVJMHVNBN-JOCHJYFZSA-N 431.448 4.622 5 1 IJBF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587113619 QORFHFFBAIUGOD-QGZVFWFLSA-N 426.782 4.543 5 1 IJBF COc1cc2c3c(c1)O[C@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)[C@@H](C2)C3=O 587417917 FSIFWRSCVWHKQT-NYHFZMIOSA-N 431.872 4.868 5 1 IJBF Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505928 MEPRANISNMFWKG-QHCPKHFHSA-N 437.883 4.770 5 1 IJBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)N1 962919666 KIGFRWKIWLXOFE-RXVVDRJESA-N 442.443 4.713 5 1 IJBF COc1ccc(Cl)c2c1CCN[C@@]2(C[C@H]1CC[C@@H](C(=O)O)C1)c1cccc([N+](=O)[O-])c1 963271108 SDCBTOPBMPHDPK-AQKDONEWSA-N 444.915 4.537 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 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VWNDJNLYNFSBBN-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF C[C@](O)(CSc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73310277 WORFEVZQHVTIPL-KRWDZBQOSA-N 425.388 4.663 5 1 IJBF Cc1cc(N(C)Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c([N+](=O)[O-])cc1F 587136994 NQGKVHYUEPQVSF-UHFFFAOYSA-N 433.312 4.604 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 587709404 MDUARGNLPHZQKV-JDNHERCYSA-N 433.199 4.837 5 1 IJBF CCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O 587747329 PSRPNQYNSSVJAE-MGNBDDOMSA-N 439.281 4.614 5 1 IJBF O=[N+]([O-])c1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586921405 HRAZPDUANASDKU-UHFFFAOYSA-N 427.869 4.765 5 1 IJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587116917 FDACKXPIYQRWQA-UHFFFAOYSA-N 443.691 4.595 5 1 IJBF O=C1c2ccc(O)cc2O[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)[C@H]1c1ccc(F)cc1 587337821 RVFCBXPMPRTYTR-NZQKXSOJSA-N 439.370 4.616 5 1 IJBF O=[N+]([O-])c1ccc2c(CCN3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)[nH]c2c1 587645997 PTRSYUAWWXQLNG-UHFFFAOYSA-N 445.498 4.642 5 1 IJBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135966 VOEJTVAOJCZPKR-UHFFFAOYSA-N 425.533 4.628 5 1 IJBF CCOC(=O)c1c(-c2ccccc2I)[nH]c2cccc([N+](=O)[O-])c12 587646026 QNEMCZGDJAVPKZ-UHFFFAOYSA-N 436.205 4.524 5 1 IJBF NC(=O)CSC1=N[C@H](c2cccc([N+](=O)[O-])c2)c2sc3ccc(Cl)cc3c2N1 1857555954 WBMUOXUIVJSCIT-OAHLLOKOSA-N 432.914 4.552 5 1 IJBF O=C(c1ccc(I)cc1)c1cc2c(ccc3ccccc32)oc1=O 40424002 LIXYRRFCILPQEL-UHFFFAOYSA-N 426.209 4.782 5 1 IJBF O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 587265867 XSPFESWFQFHICR-UHFFFAOYSA-N 445.151 4.751 5 1 IJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513782 ULYGLTFILJOAOV-JOCHJYFZSA-N 433.464 4.722 5 1 IJBF O=[N+]([O-])c1ccc(C2=NO[C@H](COCc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)cc1 45287562 CMUIUKREVLGJNQ-AWEZNQCLSA-N 449.250 4.661 5 1 IJBF CCN(CC)CCNc1ccc(CNC)c2sc3ccc(Br)cc3c(=O)c12 102219465 AWQIABMUVIYART-UHFFFAOYSA-N 448.430 4.650 5 1 IJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)ncc2[nH]1 587058049 ZXAOJGTVGDTMQO-HNNXBMFYSA-N 441.797 4.665 5 1 IJBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c(F)c2)c1 587147150 IQBVKIBQNOKSIC-UHFFFAOYSA-N 425.347 4.790 5 1 IJBF CC(C)(C)OC(=O)N(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C[C@H]1CCCO1 587196685 ATFPSWOCSILRPQ-OAHLLOKOSA-N 433.512 4.575 5 1 IJBF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)CC2=O 587471199 OSXDAFLNCXMXFH-NRFANRHFSA-N 437.452 4.501 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1 587576202 NHFKRMSFEIXLLS-URXFXBBRSA-N 432.432 4.604 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@@]31CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 963035489 NFEAOJDQWPWPIR-YADARESESA-N 448.479 4.759 5 1 IJBF Cc1cc(C)cc(-c2c(OC[C@@H]3CCCNC3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26578558 MDBSRNHMNLIMFV-OAHLLOKOSA-N 441.915 4.752 5 1 IJBF CCOC(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c([N+](=O)[O-])c1 587863238 VUYCMLYYDGSXPY-UHFFFAOYSA-N 435.358 4.652 5 1 IJBF C[C@@](O)(CSc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73295576 XSFONVROXDBQLI-QGZVFWFLSA-N 443.378 4.803 5 1 IJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc([N+](=O)[O-])c21 587471457 QTRFXIQKMBQTNY-VWLOTQADSA-N 429.428 4.706 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1Br 587538819 GSPPPVOQOWACSJ-JXFKEZNVSA-N 442.221 4.766 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 587708290 ATCISTACARZAHR-ABKXIKBNSA-N 433.199 4.837 5 1 IJBF O=[N+]([O-])c1c([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)ccc2cccnc12 962950354 DQKZFIYLENRZCU-HXUWFJFHSA-N 443.425 4.903 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)[C@H](O)[C@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103232395 SUDIGTAQRKSJKD-BXKMTCNYSA-N 439.487 4.741 5 1 IJBF O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 587265505 VGINWUUJVLTQAH-UHFFFAOYSA-N 445.151 4.751 5 1 IJBF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O 587422324 YKQPXZKSDOYTNW-NYHFZMIOSA-N 441.823 4.918 5 1 IJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc([N+](=O)[O-])ccc2-c2c(C(=O)O)cccc21 587468751 ASFJRUSOEBHPIX-RUZDIDTESA-N 445.427 4.841 5 1 IJBF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857656842 KVYMHOVAJBOWEX-SFHVURJKSA-N 425.481 4.791 5 1 IJBF COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1 587265093 STCGYJHKPUYQPN-UHFFFAOYSA-N 448.391 4.549 5 1 IJBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCc1ccccc1 587391726 XTEJLDHMOAHKJW-OAQYLSRUSA-N 434.448 4.780 5 1 IJBF O=[N+]([O-])c1cnn(COc2ccc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)cc2)c1 962672389 XDPKGUHCCGEWMD-VWLOTQADSA-N 426.476 4.730 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82134393 YGQOCAOXNVRZAP-VFNWGFHPSA-N 449.511 4.874 5 1 IJBF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82148022 COCJHTKATGDHCW-LPNJYYIDSA-N 449.555 4.674 5 1 IJBF COCCOc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587265167 LARALIMRUPKHAO-UHFFFAOYSA-N 426.654 4.579 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 587753393 VQKOVWWJZVRCLF-CYBMUJFWSA-N 434.309 4.526 5 1 IJBF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Br)c([N+](=O)[O-])cc31)CC2=O 587459462 XENAEOPSXVGFHU-HXUWFJFHSA-N 432.270 4.822 5 1 IJBF CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2cc([N+](=O)[O-])ccc12 587645630 ADOOUOACGKPDIP-UHFFFAOYSA-N 437.221 4.830 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 587675491 BYQVRRQSRZPZDO-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587748078 UGJUAJXXVZZYAR-PRWKNARSSA-N 437.309 4.865 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587430736 BMAXPNRXYXMEEP-DFBJGRDBSA-N 431.444 4.845 5 1 IJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCn3nc([N+](=O)[O-])cc3C)cc1)CC2=O 587472244 ZCHHBYQTBRABSW-OAQYLSRUSA-N 437.452 4.501 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O 587432770 LQSLNGFKISYBRZ-BVZFJXPGSA-N 447.443 4.680 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 587746881 LRVHALDGEYGZTD-FKIZINRSSA-N 430.277 4.911 5 1 IJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513322 ROCCWKXRTOGVPG-JOCHJYFZSA-N 433.464 4.722 5 1 IJBF CCOc1ccc(-c2nn(-c3cccc(F)c3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587671129 KFEVKFROKMKVLG-UHFFFAOYSA-N 449.438 4.897 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 587746883 LRVHALDGEYGZTD-MPBGBICISA-N 430.277 4.911 5 1 IJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 587261667 GAKQALVSQTUSHV-UHFFFAOYSA-N 434.290 4.951 5 1 IJBF Cc1cc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1[N+](=O)[O-] 587660641 IJOOPZZNZZSXAS-OAHLLOKOSA-N 447.422 4.527 5 1 IJBF COc1cc2c(OCCN3CCCC3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1772820538 AXNFOXAWCCNLFG-UHFFFAOYSA-N 446.503 4.762 5 1 IJBF CC1(C)C[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2O1 35920356 WVQRNYQXPPQDMD-OAHLLOKOSA-N 436.331 4.946 5 1 IJBF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 587264572 IECXQGKTKWIHTM-UHFFFAOYSA-N 428.198 4.859 5 1 IJBF O=C(c1cccc(I)c1)c1cc2c(ccc3ccccc32)oc1=O 40421684 IGKRQNAOZCUCQP-UHFFFAOYSA-N 426.209 4.782 5 1 IJBF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)OCCc1ccc([N+](=O)[O-])cc1 56727911 NIAWVABUSUNUMW-CZYKHXBRSA-N 428.916 4.600 5 1 IJBF CC(C)COc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br 587268748 CWGBVVSGJYCOAC-UHFFFAOYSA-N 448.273 4.660 5 1 IJBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc([N+](=O)[O-])cc1 587390825 RQFOCQWVRDIIMY-JOCHJYFZSA-N 434.448 4.780 5 1 IJBF COc1ccc(Cn2c(=O)c3ccccc3c3nc4ccc(Br)c(C)n4c32)cc1 103232305 ACZOTZBBBHFYTG-UHFFFAOYSA-N 448.320 4.930 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116176 RJNZCNUFEYMSAA-UHFFFAOYSA-N 438.163 4.863 5 1 IJBF COc1cc2ccc3c4cc(OC)c(OC)cc4c(NCCN(C)C)nc3c2cc1OC 13600450 KYQCARMOODQZHT-UHFFFAOYSA-N 435.524 4.549 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 586994925 DYXRHTHLTNPHLS-UHFFFAOYSA-N 440.095 4.651 5 1 IJBF CSc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cn1 49034643 MKFQTMBWRIOLQO-WTDSWWLTSA-N 447.476 4.618 5 1 IJBF O=c1nc(N2CCC(c3ccccc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 95577489 PWIFEAJWYQPPTC-UHFFFAOYSA-N 435.427 4.968 5 1 IJBF CC(C)CCOc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587277191 QGZXTNKORNWFSS-LBPRGKRZSA-N 436.310 4.659 5 1 IJBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl 587048056 PLKXYLCOQXREBE-QHHAFSJGSA-N 431.779 4.588 5 1 IJBF O=C(COc1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Nc1ccccc1F 587155396 YHFOAFYTUHHDRD-UHFFFAOYSA-N 440.818 4.948 5 1 IJBF COc1ccc2c(c1)[C@]1(c3cc([N+](=O)[O-])ccc3-c3c(C(=O)O)cccc31)N(C(C)C)CC2 962090962 JVENXLWCRLYTRN-AREMUKBSSA-N 444.487 4.840 5 1 IJBF CS(=O)(=O)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(-c3nc4ccccc4[nH]3)c2c1 587649892 DNIUPARIBKAWRG-UHFFFAOYSA-N 432.461 4.690 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 587747927 QXXQJLJVDNZTIP-FKIZINRSSA-N 434.309 4.720 5 1 IJBF COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163902 AFFMDHGFALWVFT-UHFFFAOYSA-N 431.452 4.678 5 1 IJBF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586974984 ZPJCFRPKTZNFSI-QHCPKHFHSA-N 427.533 4.770 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006585 IHMPPTCYBSRKRV-UHFFFAOYSA-N 437.051 4.539 5 1 IJBF Cc1cc(Br)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 587270215 SJTBJXNWQMVPNQ-UHFFFAOYSA-N 443.301 4.562 5 1 IJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Br)cc1[N+](=O)[O-] 587866635 HPRWAWNYOZDDRV-UHFFFAOYSA-N 443.179 4.632 5 1 IJBF CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82216978 UQPDZOWWELTZCW-UHFFFAOYSA-N 447.539 4.806 5 1 IJBF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(OC)cc12 253756691 PZNYHHJADWUKTE-BZXROKRSSA-N 447.535 4.972 5 1 IJBF O=[N+]([O-])c1ccc(OCc2cn(-c3cccc(C(F)(F)F)c3)nn2)c(C(F)(F)F)c1 473114088 IUULGICXVYCPOY-UHFFFAOYSA-N 432.280 4.792 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 587576951 QGKVJDBAKYCQCK-ZJSXRUAMSA-N 432.432 4.604 5 1 IJBF Cc1cc(OCc2ccc3c(-c4nnn[nH]4)cc4ccccc4c(=O)c3c2)c2c(n1)CCCC2 13742167 UKLUCJLTIYRIDN-UHFFFAOYSA-N 449.514 4.695 5 1 IJBF COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)n1cnc([N+](=O)[O-])c1 40900824 VZLLAUXOTIJHHN-IBGZPJMESA-N 439.269 4.748 5 1 IJBF O=C1c2ccc(O)cc2OC2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccc(F)cc1 587342948 QVGHNSXWCFRQBD-QHCPKHFHSA-N 448.450 4.838 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 587747928 QXXQJLJVDNZTIP-MPBGBICISA-N 434.309 4.720 5 1 IJBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NC(C)C)c([N+](=O)[O-])cc1OC 774820 FUQNWCGXSSALHW-UHFFFAOYSA-N 445.859 4.726 5 1 IJBF C[C@@](O)(COC(=O)c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801528 WGRABUXUJKSSCM-GOSISDBHSA-N 442.777 4.813 5 1 IJBF O=[N+]([O-])c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Cl 586964950 BXAUIXKEXKPWOD-UHFFFAOYSA-N 440.916 4.934 5 1 IJBF COc1cc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])cc1OC 586987832 SDKHFEJWJIMIJJ-UHFFFAOYSA-N 442.427 4.668 5 1 IJBF CC(=O)Oc1cc(C(=O)C2(c3ccccc3)CCCCC2)cc([N+](=O)[O-])c1OC(C)=O 27760448 KZKDVXFCVUYXCX-UHFFFAOYSA-N 425.437 4.530 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] 587265152 OYVNKUOWZCQUHL-UHFFFAOYSA-N 426.820 4.561 5 1 IJBF C[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275773 GILKTHRLQIZBDY-LLVKDONJSA-N 444.373 4.548 5 1 IJBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)cc1 587939046 HKVCMLFYEGGNPM-UHFFFAOYSA-N 426.226 4.774 5 1 IJBF CN1CCN(CCOc2ccccc2C=C2c3ccccc3-c3ccc([N+](=O)[O-])cc32)CC1 1857550035 XOZZZOIAPUPIOT-UHFFFAOYSA-N 441.531 4.790 5 1 IJBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587391320 VADZYBPAEQEZDB-QHCPKHFHSA-N 433.464 4.813 5 1 IJBF Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073910 NOXSMJLFPGNBDB-UHFFFAOYSA-N 425.883 4.928 5 1 IJBF CN(C)CC[C@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(OCCCN2CCCCC2)cc1 28892981 LMCJCKKIGOGRRE-VWLOTQADSA-N 441.572 4.921 5 1 IJBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 82135110 DWQLHUBEXDKADZ-QZTJIDSGSA-N 439.560 4.795 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076002 HCDKFKGAAKUWGA-UHFFFAOYSA-N 448.664 4.722 5 1 IJBF CCCCNc1ncc(C(=O)N2C[C@@H](CC)CC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82135060 NEJKQXCZKYFEIS-SJORKVTESA-N 425.533 4.915 5 1 IJBF CC(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587117131 AHGMRZRXYFDWRK-UHFFFAOYSA-N 429.358 4.604 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 587748026 RTAHOKPUNCQZPP-FKIZINRSSA-N 430.277 4.911 5 1 IJBF C[C@]12CC[C@@H]3[C@H](Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CC[C@]53C)[C@@H]1CCC2=O 253639274 CYEFAKCCVSSKBP-JJBARKDQSA-N 447.535 4.642 5 1 IJBF CC(=O)c1ccc(NCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 653726403 SOUWQCNGEBHJRL-XMMPIXPASA-N 442.475 4.587 5 1 IJBF CCCCNc1ncc(C(=O)N2C[C@@H](CC)CC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148598 GFQGLZBVQCQJMX-SJORKVTESA-N 425.533 4.915 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CC[N@+](C)(Cc4ccccc4)CC[C@@H]3O)sc2cc1OC 261180993 WCCVUCMETCYHRK-GOHWNWGWSA-N 440.585 4.519 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCCCC1 587575971 LPVMOZTTXGPOKG-DHLKQENFSA-N 446.459 4.994 5 1 IJBF C[C@]12CC[C@H]3[C@@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@@]3(C)CCC5=O)[C@@H]1CCC2=O 169372197 UYNSRKBUFVSFKD-GJDPNALDSA-N 447.535 4.642 5 1 IJBF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc3cccc1c23 587105037 LVDAQXBTPADSJD-UHFFFAOYSA-N 437.455 4.858 5 1 IJBF CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 64409749 GEWZAGATOIRWRY-LJQANCHMSA-N 437.887 4.830 5 1 IJBF CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCc1ccccc1 82192318 DTXUDJQKGGVKOP-SFHVURJKSA-N 442.566 4.568 5 1 IJBF CCCOc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1Br 587261942 KQMCVVWXWYTBGQ-UHFFFAOYSA-N 434.290 4.952 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Br)N1 587676942 JBVKIGZLQZVOOI-ZKANADHPSA-N 444.098 4.883 5 1 IJBF COC(=O)c1ccc(Oc2ccc3nc(CCOc4cc(C)ccc4[N+](=O)[O-])[nH]c3c2)cc1 587262078 MQECMOLRYMWOTB-UHFFFAOYSA-N 447.447 4.980 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3ccc(Br)c(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587267085 FFZWEKXHCTVJMS-UHFFFAOYSA-N 444.264 4.901 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587426264 BUCFWSXRCHDJKT-UUOWRZLLSA-N 435.407 4.810 5 1 IJBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3cccc(Cl)c3c2=O)cc1 58575319 ATSMWAALLBRGTO-KPKJPENVSA-N 447.834 4.816 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012910 NJMNIUPIGNSIHP-UHFFFAOYSA-N 444.108 4.997 5 1 IJBF Cn1nc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130059 DKYIQSRXFVWWIL-UHFFFAOYSA-N 436.378 4.688 5 1 IJBF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328989 BHVLTXQPYUKTDK-REWPJTCUSA-N 441.386 4.862 5 1 IJBF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc([N+](=O)[O-])cn1 587388912 HRUAMTYBWLPPPV-HXUWFJFHSA-N 435.436 4.778 5 1 IJBF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1[N+](=O)[O-] 587389593 LUFCTGJDYLSEMN-HSZRJFAPSA-N 434.448 4.780 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2[N+](=O)[O-])N1 587681236 RKHDRZJBIALDGO-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 587747798 QDKADLHKVVYKNX-FKIZINRSSA-N 434.309 4.720 5 1 IJBF Cc1cc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2cc1[N+](=O)[O-] 587230206 BBKQAVKVJLKSQI-UHFFFAOYSA-N 431.452 4.669 5 1 IJBF CCOC(=O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587388490 CWPKNQYRDXPFPB-VWLOTQADSA-N 446.459 4.571 5 1 IJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cnc2cc(Br)ccc2c1 587941323 UWZUXKBDWDGGQE-LBPRGKRZSA-N 434.290 4.923 5 1 IJBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(I)cc3[nH]2)ccc1Cl 587047270 DTQGQAIGXRLRQC-KXFIGUGUSA-N 425.613 4.900 5 1 IJBF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1[N+](=O)[O-] 587656925 MBWIVIPHKZXBMS-UHFFFAOYSA-N 440.228 4.863 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Br)N1 587676939 JBVKIGZLQZVOOI-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF COc1ccc2c(c1OC)[C@@](COc1ccccc1[N+](=O)[O-])(C(C)(C)C)N(C)[C@@H](C)C2 962622202 JPILNONNYQRHBJ-FYSMJZIKSA-N 428.529 4.809 5 1 IJBF COC(=O)c1ccccc1Nc1c2c(=O)nc(-c3ccccc3)nc-2n(C)c2ccccc12 40936837 SEHHXRQZLLLNJO-UHFFFAOYSA-N 436.471 4.631 5 1 IJBF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 82135899 BAUDIBBFBRVADU-CQSZACIVSA-N 439.903 4.846 5 1 IJBF CC1CCN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149425 GJKQMTXKZFSEKA-UHFFFAOYSA-N 437.544 4.916 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 587557169 QQFWAMOJLSOKKH-PXNSSMCTSA-N 429.331 4.605 5 1 IJBF Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nc3nncc-3c2O)cc1Cl 103969082 MPCLMUWOKQZVFS-UHFFFAOYSA-N 427.873 4.635 5 1 IJBF C[C@]12CC[C@@H]3[C@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@@]3(C)CCC5=O)[C@H]1CCC2=O 253793048 UYNSRKBUFVSFKD-GRKQCONJSA-N 447.535 4.642 5 1 IJBF O=C(O)/C(=C/c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)NC(=O)c1ccccc1 28522573 FAGLUDRBVZNWBH-AQTBWJFISA-N 438.823 4.896 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 587747799 QDKADLHKVVYKNX-MPBGBICISA-N 434.309 4.720 5 1 IJBF COc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963118437 FXAGEQYBKDOZIA-LJQANCHMSA-N 449.294 4.671 5 1 IJBF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O 587432895 MILGNQKQZPCRBB-AVRWGWEMSA-N 442.427 4.623 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82147680 JATTWXXKMHXTOT-BTYIYWSLSA-N 449.511 4.874 5 1 IJBF COc1ccccc1CNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163831 WAQCBRACYZNDIA-UHFFFAOYSA-N 431.452 4.944 5 1 IJBF CCCc1c2nc(C(=O)O)cc(Sc3ccccc3)c2cc2c(=O)cc(C(=O)O)oc12 29231412 ULNMPTUQPRTHIM-UHFFFAOYSA-N 435.457 4.841 5 1 IJBF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586974586 VSMQMHBDTHXLCR-IBGZPJMESA-N 427.533 4.770 5 1 IJBF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055535 TYLXIONOIYDAHM-MJGOQNOKSA-N 436.295 4.910 5 1 IJBF C[C@@](O)(CSc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28092144 HQPNGSWPJIFCQH-MRXNPFEDSA-N 434.823 4.749 5 1 IJBF COc1cc2c(cc1OCCCN1CCCCC1)ncc1c(N)nc(-c3cccnc3)cc12 45316075 FRZGIAXJUKGPGL-UHFFFAOYSA-N 443.551 4.691 5 1 IJBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)cc1 587342850 QBVUQLUORHETTK-WPYKKVEZSA-N 437.427 4.549 5 1 IJBF COC(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 586986622 DQQPMGYCTCOACM-UHFFFAOYSA-N 441.399 4.905 5 1 IJBF Cc1cc(-c2nc3ccc([N+](=O)[O-])cc3n2O)ccc1NC(=O)/C=C/c1ccc(F)cc1 45245323 ZMYFIEADBQQSFR-NYYWCZLTSA-N 432.411 4.948 5 1 IJBF C[N@@+]1(CCCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261137695 MKNASJNZVVEVJG-WXGMZPBLSA-O 440.611 4.807 5 1 IJBF COC(=O)c1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2[N+](=O)[O-])cc1 1911578919 ALVGTRGRFKJXAD-DTQAZKPQSA-N 430.460 4.624 5 1 IJBF O=[N+]([O-])c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 587166009 PGWDPZBMPYVYMG-UHFFFAOYSA-N 428.427 4.948 5 1 IJBF CC1=CC(C)=[N+]2[C@H]1[C@H](c1ccc(OCCC[N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 1857764930 QJPCKEMKIJMVEV-BJKOFHAPSA-N 442.383 4.750 5 1 IJBF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C(F)(F)C1 587133099 WYMKQTGUMAWIAU-LBPRGKRZSA-N 425.439 4.629 5 1 IJBF CC[C@H](C)CCC[C@@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356786604 AZOPYQAOEZDMBE-HOSQHVHZSA-N 438.524 4.609 5 1 IJBF CC(=O)Nc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3[S@]2=O)cc1 5890696 HTXFPYPUHGNXTR-FWUCURJTSA-N 433.489 4.927 5 1 IJBF O=C(/C=C/c1ccc(F)c(F)c1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 45299682 WHJJIDQDJRRXBH-WTDSWWLTSA-N 436.374 4.779 5 1 IJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73196671 DVEKJMIGSBNUCB-YXWZOGTMSA-N 447.643 4.783 5 1 IJBF CC(=O)Nc1cc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] 587096496 BZOHIVARGGLCAR-UHFFFAOYSA-N 439.427 4.994 5 1 IJBF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(Br)cc1[N+](=O)[O-])CC2=O 587459425 WRTVBAGRTQDDOT-FQEVSTJZSA-N 434.286 4.982 5 1 IJBF CC=C(C)C(=O)NCCc1c2c(c3nccc4c5ccccc5[nH]c1c34)NC(=O)CS2 2356705332 FYLUWBJINWEXIB-UHFFFAOYSA-N 430.533 4.538 5 1 IJBF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4153248 NSTKWLOUBHKXPV-CTNGQTDRSA-N 445.903 4.655 5 1 IJBF CCCCNc1ncc(C(=O)N2C[C@H](CC)CC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82135054 NEJKQXCZKYFEIS-DLBZAZTESA-N 425.533 4.915 5 1 IJBF Fc1ccc(-n2cc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)nn2)c(F)c1 98085200 GRSMMBXRRJGZMP-UHFFFAOYSA-N 430.393 4.784 5 1 IJBF Cc1cc(N(C)Cc2nc3cc(Br)cc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587137334 VEEQMIIFVVVAJZ-UHFFFAOYSA-N 427.661 4.971 5 1 IJBF COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261060 RFPSMKKPSTYXTR-UHFFFAOYSA-N 446.179 4.937 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 587747388 NJNOWGMIGIJXPB-ODXCJYRJSA-N 430.277 4.911 5 1 IJBF COc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1[N+](=O)[O-] 587752545 RQPRBWFFOCFIQN-LZVRBXCZSA-N 434.265 4.610 5 1 IJBF C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(N)nc5)cc4c32)ccc1C 209002485 GFHLXZJWIUHXCL-UHFFFAOYSA-N 447.498 4.616 5 1 IJBF O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1)c1ccccc1Cl 1857562760 ZCNSKGGVKDJOQR-UHFFFAOYSA-N 435.827 4.893 5 1 IJBF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])cc1 587389094 IZJCECPNABXTDQ-QHCPKHFHSA-N 434.448 4.780 5 1 IJBF O=C(NCC1CCCCC1)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82134968 MKJPUGSUSJNDME-UHFFFAOYSA-N 445.523 4.974 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1[N+](=O)[O-] 587542517 YNBPWUDRJSNRNK-XLIONFOSSA-N 442.221 4.766 5 1 IJBF COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)CO)N2c2ccc([N+](=O)[O-])cc2)cc1 653798460 XOMAYDPUCBKVEN-VWLOTQADSA-N 448.450 4.753 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@]3(c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 963036942 QBZKTDGUPUTIHX-RUZDIDTESA-N 429.451 4.728 5 1 IJBF COc1ccc([C@H]2[C@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1OC 1772613337 SDHYWARWTJBHLS-UUOWRZLLSA-N 430.464 4.619 5 1 IJBF O=C(Nc1sc2c(c1-c1nc3ncc([N+](=O)[O-])cc3[nH]1)CCC2)c1ccccc1Cl 587031876 WGAOIEVHLZIJGC-UHFFFAOYSA-N 439.884 4.989 5 1 IJBF CC(C)([C@H](C[N+](=O)[O-])c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587579141 ZBXXXVNWQDTWBL-MEKIYTOJSA-N 433.460 4.809 5 1 IJBF COc1c(Cc2ccccc2)cc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587944138 YSGBQPRLKMUQGV-UHFFFAOYSA-N 435.249 4.901 5 1 IJBF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587240408 JQLHQTHFCJNDQT-UHFFFAOYSA-N 449.261 4.953 5 1 IJBF COc1ccc2c(c1OC)[C@](COc1ccccc1[N+](=O)[O-])(C(C)(C)C)N(C)[C@H](C)C2 962622211 JPILNONNYQRHBJ-VOIUYBSRSA-N 428.529 4.809 5 1 IJBF COP(=O)(OC)[C@H](OC(=O)COc1cc(C)ccc1Cl)c1cccc([N+](=O)[O-])c1 103205061 BPZNQKCEYWMVKA-SFHVURJKSA-N 443.776 4.663 5 1 IJBF CC(C)CCOc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587270929 UMVOWPYMEKJRTP-INIZCTEOSA-N 447.333 4.901 5 1 IJBF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cc2ccccc2c2ccccc12 13125806 UBPMENZWKPTPPE-DEOSSOPVSA-N 446.503 4.761 5 3 IJBF CN1CCN(c2ccc3[nH]c(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc3c2)CC1 587272193 PFJGXRZYKSNUQO-UHFFFAOYSA-N 429.480 4.682 5 1 IJBF O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccn1 20076485 RSPOJGKSHGYSHV-OAQYLSRUSA-N 431.839 4.783 5 1 IJBF CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 82214917 ZBTIUNWZNQJAPN-QGZVFWFLSA-N 433.512 4.925 5 1 IJBF C[C@]12CCC(=O)c3nn(Cc4ccc([N+](=O)[O-])cc4)c(c31)C[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088091 CYEFAKCCVSSKBP-RGAJYYFASA-N 447.535 4.642 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1 587865986 RVAMVJCDVKBIDP-UHFFFAOYSA-N 435.358 4.595 5 1 IJBF O=[N+]([O-])c1cccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc3ccccc3s2)c1 82163608 KDPXXPIMPDXTLH-INIZCTEOSA-N 433.493 4.919 5 1 IJBF O=[N+]([O-])c1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Cl 586959053 IIDRBHNBPFQVRM-RUZDIDTESA-N 442.722 4.627 5 1 IJBF COc1cc2oc3cc(O)c(OC)c(CCC(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C 14727634 KTKBYROHKULAPL-UHFFFAOYSA-N 442.508 4.587 5 1 IJBF biogenic CCOC(=O)c1c2c3ccc(S[C@H](C)[C@@]4(C)CSCO4)c4cccc(c-2nc1=O)c43 71294687 IBCFLQFWCYTALG-SFDCACGMSA-N 439.558 4.866 5 1 IJBF COc1ccc2c(c1OC)C[N@@+]1(Cc3ccccc3)CCc3cc4c(cc3[C@H]1C2)OCO4 253640361 ZTCXXLUNOLOKTQ-LXFBAYGMSA-N 430.524 4.803 5 1 IJBF Cc1cc2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2cc1[N+](=O)[O-] 587057344 OZDQVRGUUALAPQ-UHFFFAOYSA-N 429.263 4.963 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 587862505 BNXLRGJKJJOURP-UHFFFAOYSA-N 431.326 4.920 5 1 IJBF O=C1CCCN1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587489 DNFYUGQOSDLSNQ-HSZRJFAPSA-N 431.492 4.659 5 1 IJBF O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3n2O)cc1 45301167 CWOSJANQXZCUBL-XCVCLJGOSA-N 436.374 4.779 5 1 IJBF Cc1cc(N2C(=O)CS[C@H]2c2c(Cl)cccc2[N+](=O)[O-])nc(C)c1Br 169351040 PRDAOKBSVUAOGO-INIZCTEOSA-N 442.722 4.801 5 1 IJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)cnc(Cl)c2[nH]1 587056725 UCUMRFIMOLJZFA-LBPRGKRZSA-N 442.690 4.953 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 587574723 GYAILKWSJCIJOQ-XUZZJYLKSA-N 428.400 4.794 5 1 IJBF O=[N+]([O-])c1ccc(CNc2nc(NCc3ccccc3C(F)(F)F)nc3[nH]cnc23)cc1 87722028 LREPTADCARHAMY-UHFFFAOYSA-N 443.389 4.504 5 1 IJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ncccn3)c([N+](=O)[O-])c1)CC2=O 587494753 YOWQCIDMWYWBJV-IBGZPJMESA-N 437.477 4.901 5 1 IJBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCC 4213815 ICPTYUDFSFPTQL-SFTDATJTSA-N 435.521 4.542 5 1 IJBF CCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O 587747335 PSRPNQYNSSVJAE-YPMLDQLKSA-N 439.281 4.614 5 1 IJBF C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587502684 SKUQMUIPAQYLLG-QFIPXVFZSA-N 428.872 4.880 5 1 IJBF COc1ccc([C@]2(CCC(C)(C)[N+](=O)[O-])c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962623656 IPMCRMHWXQJGFS-CRICUBBOSA-N 442.556 4.668 5 1 IJBF COc1cc(OCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587263357 RYKWRAPRRMFIOP-UHFFFAOYSA-N 436.262 4.608 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc13)O2 587391730 XVTMJZJBCFURGH-LJQANCHMSA-N 437.452 4.930 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O 587430768 BQAXBFSYIGPCPI-DFBJGRDBSA-N 447.443 4.680 5 1 IJBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccccc3)cc2[nH]1 587267274 WFWAQHHRYMVNOA-YEJXKQKISA-N 449.423 4.706 5 1 IJBF COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1[N+](=O)[O-] 587434035 PDXRWFGRACILKS-NTKDMRAZSA-N 445.427 4.546 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc([N+](=O)[O-])cc1 587860508 VROXTBMMJIGSED-UHFFFAOYSA-N 436.251 4.883 5 1 IJBF COc1cc2c3c(c1)O[C@](C)(CSc1nc4ccc([N+](=O)[O-])cc4s1)[C@@H](C2)C3=O 587450039 DBECRHRMKDMDFY-RNODOKPDSA-N 428.491 4.512 5 1 IJBF Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587578705 WZGSSMLDWFNKCT-NBQKQPDNSA-N 446.459 4.541 5 1 IJBF COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1C 45245215 MYLANHFBEPWMHX-UHFFFAOYSA-N 425.832 4.776 5 1 IJBF COc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1[N+](=O)[O-] 587752006 PNLWGEXBQAAALN-YYSFKGJASA-N 434.265 4.610 5 1 IJBF O=c1cc(N2CCN(Cc3ccccc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857548904 UFFGFBFPYUEMIV-UHFFFAOYSA-N 449.454 4.511 5 1 IJBF Cc1cc(C)cc(-c2c(OC[C@H]3CCCNC3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26578559 MDBSRNHMNLIMFV-HNNXBMFYSA-N 441.915 4.752 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCc4ccccc4)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434115 RKBSUDBPOXAEFW-BVZFJXPGSA-N 447.443 4.680 5 1 IJBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl 103278479 JRCBINKRHOACPH-UHFFFAOYSA-N 442.093 4.875 5 1 IJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(C)(C)C)nc2[nH]1 587057447 WTNIFVZAVJTGJY-QGZVFWFLSA-N 429.908 4.944 5 1 IJBF O=[N+]([O-])c1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 587179587 YJHQDMXWIDJXFN-UHFFFAOYSA-N 433.127 4.762 5 1 IJBF Cc1ccc(Oc2ccc([C@]3(C)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2[N+](=O)[O-])cc1 963507039 HKVMAZZDLJWXMU-DFBJGRDBSA-N 448.475 4.572 5 1 IJBF COc1ccc(-c2c(N)n(-c3nc4ccccc4s3)c(=O)c3cc([N+](=O)[O-])ccc23)cc1 1653899 TVBATBXJNMITFV-UHFFFAOYSA-N 444.472 4.766 5 1 IJBF O=[N+]([O-])c1cncc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 587161489 SLFJLZVPZKHHFR-UHFFFAOYSA-N 430.193 4.622 5 1 IJBF O=[N+]([O-])c1ccc2c([C@@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)c[nH]c2c1 962961391 UKOHFPSCTHLEAT-FQEVSTJZSA-N 431.414 4.836 5 1 IJBF O=C(c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133455 QBMYNYFMNCBDLH-UHFFFAOYSA-N 433.020 4.911 5 1 IJBF COc1cc(OCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587263672 YUUOICNVQBTUNB-UHFFFAOYSA-N 446.179 4.840 5 1 IJBF CC[C@H](C)CCC[C@@H](C(=O)OC)C(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356789026 CUIFJEVBMVOGGS-MAUKXSAKSA-N 436.508 4.758 5 1 IJBF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(Cl)cc1 13472849 YHBBHOCDJPBEPD-UHFFFAOYSA-N 439.903 4.540 5 1 IJBF CC(C)(C)C(=O)Nc1nnc(-c2ccc(NCc3ccc(F)cc3F)c([N+](=O)[O-])c2)s1 103231251 SPHYAWLRUDXVBV-UHFFFAOYSA-N 447.467 4.988 5 1 IJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963113135 VDEUDKUAVBBURD-FQEVSTJZSA-N 433.295 4.678 5 1 IJBF C[C@]12CC[C@@H]3[C@H](Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CC[C@]53C)[C@H]1CCC2=O 253638869 CYEFAKCCVSSKBP-GRKQCONJSA-N 447.535 4.642 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116087 MXWAIBMXUPCELE-UHFFFAOYSA-N 438.163 4.863 5 1 IJBF C[C@@H](Oc1cccc([N+](=O)[O-])c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 211088537 PWBTYBHLXLDUDX-GFCCVEGCSA-N 438.827 4.857 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(C[C@H]4CCCCO4)CC3)sc2cc1OC 253694450 ABNOJWGKGYSFSX-RAWGQGSESA-N 432.606 4.917 5 1 IJBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])NCCc2c(Cl)cc(Cl)cc21 963127026 YSZCBXPZPQUSSW-LJQANCHMSA-N 443.714 4.898 5 1 IJBF O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1)c1ccc(Cl)cc1 1857541197 ABEJTAPVBJLGQW-UHFFFAOYSA-N 435.827 4.893 5 1 IJBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc([N+](=O)[O-])cnc2[nH]1 587086084 DFTOCOYGWAARBD-VOTSOKGWSA-N 429.267 4.897 5 1 IJBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(Cl)cc3c2=O)cc1 58583751 UEFQOMDIKWXOOK-NYYWCZLTSA-N 447.834 4.816 5 1 IJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1 261171774 TWMYBOAPLPGDEW-RPJCSTDNSA-N 426.560 4.989 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029263 MMEOMJQYKYSREA-UHFFFAOYSA-N 431.271 4.936 5 1 IJBF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C1CCCC1 587226093 OSFAHNGQRHKWAE-CQSZACIVSA-N 439.310 4.990 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 587675484 BWTUJEUYZYONJL-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1 1857647392 PRZQFDARZNNXAD-UHFFFAOYSA-N 430.456 4.898 5 1 IJBF COc1cc2c(cc1OC)S[C@H](C(=O)C[C@H]1C=CC[N+](C)(Cc3ccccc3)CC1)C2 36286897 XXUAMLUZORJNNC-RZUYQHNOSA-N 438.613 4.903 5 1 IJBF C[C@]12CC[C@@H]3[C@H](Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CC[C@@]53C)[C@H]1CCC2=O 253639271 CYEFAKCCVSSKBP-HQVLYOBFSA-N 447.535 4.642 5 1 IJBF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587001791 HVYRJMNIYCJAGN-LBPRGKRZSA-N 434.681 4.611 5 1 IJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510482 APBAUZCTDACKJC-QFIPXVFZSA-N 433.464 4.722 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C 587859724 HMJRDMWPAAERIR-LLVKDONJSA-N 438.271 4.570 5 1 IJBF C[C@@]12CC[C@@H]3[C@@H](Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CC[C@@]53C)[C@@H]1CCC2=O 169318120 CYEFAKCCVSSKBP-BNCYKHGJSA-N 447.535 4.642 5 1 IJBF C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(OCCN5CCCCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 169353037 CBHRNUFGOXNKJE-ASDQOZNMSA-N 428.573 4.677 5 1 IJBF Cc1cc2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2cc1[N+](=O)[O-] 587032571 UNRWWVQOHHCIQK-LYGDGENHSA-N 429.527 4.906 5 1 IJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135312 XVJXAGLWQBKSEX-ROUUACIJSA-N 437.544 4.693 5 1 IJBF C[C@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 72123528 UEMJOXQPSVPXRK-UGSOOPFHSA-N 449.385 4.896 5 1 IJBF CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148691 AOPMUQSCBYESDH-UHFFFAOYSA-N 437.544 4.693 5 1 IJBF O=C(Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)Nc1cccc([N+](=O)[O-])c1 96167974 DDQQDMMISVHSFK-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Br)c1OC 586978511 UYQLPVFPOMVGHD-PLNGDYQASA-N 436.237 4.950 5 1 IJBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)N2 587030364 COEPNKVRAAXUKT-RGEMTFFCSA-N 433.490 4.737 5 1 IJBF CC(=O)Nc1cccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c1 1911576051 GDVBBIQXULQWNA-UHFFFAOYSA-N 436.445 4.634 5 1 IJBF Cc1onc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079377 JJXUCSILDJPKDN-UHFFFAOYSA-N 427.635 4.640 5 1 IJBF CCOc1cc([C@H]2NC(=O)N=C(c3ccccc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702715 AKDQCRSWAYXLAK-AZUAARDMSA-N 437.477 4.798 5 1 IJBF Cc1cc2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2cc1[N+](=O)[O-] 587032564 UNRWWVQOHHCIQK-BXRZMRDGSA-N 429.527 4.906 5 1 IJBF O=[N+]([O-])c1cccc(NC(=S)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 45195397 NDTIPWZBUUMYNQ-UHFFFAOYSA-N 438.475 4.518 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(C[C@H]4CCCCO4)CC3)sc2cc1OC 253694438 ABNOJWGKGYSFSX-IZJXBPLLSA-N 432.606 4.917 5 1 IJBF CC(C)Oc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587263532 BRCKQUROOJXDNP-UHFFFAOYSA-N 435.234 4.520 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82134385 YGQOCAOXNVRZAP-YCRPNKLZSA-N 449.511 4.874 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1Br 587539105 HPBANMZCAHIJKI-XLIONFOSSA-N 442.221 4.766 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2Br)N1 587680184 SVINXQARANXYDN-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF C[C@@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 72123529 UEMJOXQPSVPXRK-ACJLOTCBSA-N 449.385 4.896 5 1 IJBF COC(=O)c1ccccc1Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587390573 RPMJRWNLILHCPD-JOCHJYFZSA-N 448.431 4.771 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc2cc([N+](=O)[O-])ccc12 587579381 ZFFRHGWKOFXIPE-ZJSXRUAMSA-N 429.384 4.862 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 587683214 VWNDJNLYNFSBBN-VPTHRUTESA-N 444.098 4.883 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 587751298 LYJITERSJSOCIW-ZDUSSCGKSA-N 434.309 4.526 5 1 IJBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Br)c1OC 586978512 UYQLPVFPOMVGHD-SNAWJCMRSA-N 436.237 4.950 5 1 IJBF CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O 114754636 CKYLUTWAKNOUEY-FQEVSTJZSA-N 437.477 4.683 5 1 IJBF O=[N+]([O-])c1nn(Cc2ccc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)o2)cc1Cl 962665141 JIDNSWSKHHGNSY-JOCHJYFZSA-N 434.883 4.988 5 1 IJBF Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 64564458 PBBHXHSCSMCYNV-UHFFFAOYSA-N 429.465 4.709 5 1 IJBF COc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143990 OTJGHDMIMWTMEO-UHFFFAOYSA-N 425.347 4.790 5 1 IJBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1[N+](=O)[O-] 587388423 BFEAHYDEHGSWOM-QFIPXVFZSA-N 434.448 4.780 5 1 IJBF Cc1ccc(-c2c3cc(N)ccc3c3ccc(=Nc4cc(C)n(C)c(=N)n4)cc-3n2C)cc1 377848882 QBDZPNAHVITZAQ-UHFFFAOYSA-N 434.547 4.595 5 1 IJBF O=C1c2ccc(O)cc2O[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)[C@H]1c1ccc(F)cc1 587337834 RVFCBXPMPRTYTR-REWPJTCUSA-N 439.370 4.616 5 1 IJBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)CCCC(C)(C)O 2356573643 VQIHPPHJAYRDMW-UHFFFAOYSA-N 428.481 4.502 5 1 IJBF CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702714 AKDQCRSWAYXLAK-ICSRJNTNSA-N 437.477 4.798 5 1 IJBF COCCNc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587262003 LSJDMFUJNLTTJR-UHFFFAOYSA-N 425.670 4.612 5 1 IJBF O=[N+]([O-])c1ccc(-c2cc(O)n(CC3CCN(Cc4ccc(F)cc4)CC3)c2O)cc1 587947081 RUQMYBZJWHDMLR-UHFFFAOYSA-N 425.460 4.526 5 1 IJBF O=[N+]([O-])c1ccc(Cn2cc(COc3ccc4cc(Br)ccc4c3)nn2)cc1 1772640296 NMXCFCZJUNOIDH-UHFFFAOYSA-N 439.269 4.729 5 1 IJBF COc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1[N+](=O)[O-] 587752003 PNLWGEXBQAAALN-DYBLOJMWSA-N 434.265 4.610 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCCC1 587575974 LPVMOZTTXGPOKG-WIOPSUGQSA-N 446.459 4.994 5 1 IJBF CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cccc([N+](=O)[O-])c12 587645707 BNVGVJKKDQNSGN-UHFFFAOYSA-N 425.199 4.935 5 1 IJBF Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21c2c(F)cccc2C[C@H]2CCCN21 963094761 CZCPBAXXCIMSBZ-WGDIFIGCSA-N 428.463 4.899 5 1 IJBF O=C(O)CNc1nc(Nc2ccc(Oc3ccccc3)cc2)nc2ccc([N+](=O)[O-])cc12 71316790 AGJSYQZIWDNGQH-UHFFFAOYSA-N 431.408 4.570 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1[N+](=O)[O-] 587540349 NSDFWSWRGVNIRN-FXAWDEMLSA-N 442.221 4.766 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 587577352 RYHWXJVMNSEASO-XUZZJYLKSA-N 428.400 4.794 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc([N+](=O)[O-])cc3)C2)N1 587752842 SZFKKIIYNFFUCN-MEELVIRWSA-N 447.304 4.763 5 1 IJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135804 LIRJPESKXAWDBP-HDICACEKSA-N 445.523 4.782 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3ccc(F)c(Br)c3[nH]2)c(C)c1[N+](=O)[O-] 587267626 NUZDCCOHAZDOCV-UHFFFAOYSA-N 444.264 4.901 5 1 IJBF O=C(O)c1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)ccc2F)cc1F 587138755 UJONQAAVPFUOOY-UHFFFAOYSA-N 440.318 4.690 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)cc2[nH]1 587261836 DCJYMWVGZBJALE-SNVBAGLBSA-N 434.246 4.585 5 1 IJBF COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O 587451320 HFGHSDODPUDGTD-KWRBSRFISA-N 442.467 4.928 5 1 IJBF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)CC2=O 587460257 LJMMEIHSQJWWBQ-YTEVENLXSA-N 447.871 4.878 5 1 IJBF CC(C)CN(CC(C)C)C(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1 82224954 QQBIHFQMPINDPM-UHFFFAOYSA-N 425.533 4.628 5 1 IJBF Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc(OCCc4ccccc4)ccc3c(=O)c12 12405800 PSUJKPCEMGFKIT-UHFFFAOYSA-N 441.443 4.970 5 1 IJBF CC[C@@H]([C@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4)[N+](=O)[O-] 1857644483 SGBOCKRVBRSLIW-SBUREZEXSA-N 436.464 4.799 5 1 IJBF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)cc1 586930389 CKCHBUZRTFJVSL-UHFFFAOYSA-N 436.493 4.580 5 1 IJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cnc2[nH]1 587056902 VWNXOIOKYFOMGM-AWEZNQCLSA-N 441.797 4.665 5 1 IJBF Cc1cc(N(C)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c([N+](=O)[O-])cc1F 587136925 LFMGPLCQSGEPGM-UHFFFAOYSA-N 429.196 4.596 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc([N+](=O)[O-])cc3)C2)N1 587752843 SZFKKIIYNFFUCN-PYDTXJQDSA-N 447.304 4.763 5 1 IJBF CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O 169702712 QOVFYKJDUHRDDL-IRLDBZIGSA-N 431.448 4.737 5 1 IJBF CC[N+]1(C[C@H]2c3ccccc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209488418 ZOEOHYIBEYMINZ-ZEQRLZLVSA-N 437.991 4.767 5 1 IJBF Cc1c(F)cccc1-c1cc(-c2nc3nc(Br)c[nH]c-3n2)cc([N+](=O)[O-])c1 587135545 GVBKTSILGQIMMT-UHFFFAOYSA-N 428.221 4.757 5 1 IJBF CN(C)CCCN1C(=O)c2c(c3c4cc(O)ccc4[nH]c3c3cc4ccccc4cc23)C1=O 28523488 AZTOAZFTQRQBNJ-UHFFFAOYSA-N 437.499 4.881 5 1 IJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)c(F)c(F)c2[nH]1 587054327 JTOXEVFRMWNCBS-HNNXBMFYSA-N 426.782 4.669 5 1 IJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)cc1 587272234 QKMPIGBUDQEXIH-UHFFFAOYSA-N 430.464 4.763 5 1 IJBF O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280170 MJHZTGMAMRQIEQ-UHFFFAOYSA-N 446.297 4.685 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 587717606 LJSOXBWMLWFDII-DYBLOJMWSA-N 429.236 4.767 5 1 IJBF O=[N+]([O-])c1ccc(Nc2cc(Nc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 105786515 KYEZCFZTQNBQMH-UHFFFAOYSA-N 440.328 4.807 5 1 IJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587110030 QKKWPBMUWXIGQY-UHFFFAOYSA-N 445.151 4.751 5 1 IJBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587232949 DMMWBUOZRCOLMS-ZYHUDNBSSA-N 439.310 4.785 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1[N+](=O)[O-] 587538859 GXYNLQMLVHIVGE-FXAWDEMLSA-N 442.221 4.766 5 1 IJBF CC1=C(Cn2c3ccc(Br)c(=O)c-3nc3ccccc32)CCC(C)(C)[C@H]1O 2356792402 JREKSNBRIDHCTK-NRFANRHFSA-N 427.342 4.761 5 1 IJBF CC(C)c1ccc2nc3ccc(C(=O)NCCN4C(C)(C)CCCC4(C)C)cn3c(=O)c2c1 29396730 CZSLNKWSXJLIRE-UHFFFAOYSA-N 448.611 4.744 5 1 IJBF CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163421 KQSUQISJWBFBAC-UHFFFAOYSA-N 427.530 4.966 5 1 IJBF CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 82159947 ACEOHCLDPHJDTE-KRWDZBQOSA-N 433.512 4.925 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82216894 JJDCWQYAOMWPBC-UHFFFAOYSA-N 449.511 4.970 5 1 IJBF CC[N+]1(C[C@H]2c3ccccc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209488356 ZOEOHYIBEYMINZ-RPWUZVMVSA-N 437.991 4.767 5 1 IJBF CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 13646410 DNSUFPJFKSCBRT-UHFFFAOYSA-N 446.503 4.565 5 1 IJBF in-vivo CCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc([N+](=O)[O-])c1 82214811 GNDCCMJEJYTYON-UHFFFAOYSA-N 433.512 4.545 5 1 IJBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 96167976 QLCIJVVTVXJTSG-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587269073 KCAQRSFPLFCLKB-UHFFFAOYSA-N 444.163 4.644 5 1 IJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(F)c(F)c4)c3oc2c1OC 96933385 YFNLJRYMNDWMSA-UHFFFAOYSA-N 428.387 4.926 5 1 IJBF COc1ccc(Cn2c(=O)c3ccccc3c3nc4cc(C)c(Br)cn4c32)cc1 103232308 XEFUISCVJIPKLM-UHFFFAOYSA-N 448.320 4.930 5 1 IJBF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cncc([N+](=O)[O-])c4[nH]3)c(Cl)cc12 587078627 XXIPKVUPEJNSGO-JTQLQIEISA-N 428.832 4.718 5 1 IJBF C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331900 KIAHBYZZVFFUGV-REWPJTCUSA-N 441.386 4.645 5 1 IJBF Cc1cc(C)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 586949582 ZPBQMOAHVQUVKS-UHFFFAOYSA-N 436.493 4.864 5 1 IJBF Cc1ccc2nc(Sc3cc([N+](=O)[O-])ccc3C(=O)O)n(Cc3ccccc3)c(=O)c2c1 96258071 XYVZQXCDNSZWBC-UHFFFAOYSA-N 447.472 4.511 5 1 IJBF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587243978 FDKZZTXFFRMJSS-UHFFFAOYSA-N 434.459 4.799 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587263449 MUQKPDJQWKFXEE-SECBINFHSA-N 441.337 4.980 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 587713407 CEWJZELHTRUWCK-DYBLOJMWSA-N 429.236 4.767 5 1 IJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 587027082 OUACYKCKFMVMQZ-XVSDVWIESA-N 428.489 4.747 5 1 IJBF O=[N+]([O-])c1cc2c(cc1COc1nc(C(Cl)(Cl)Cl)nc3ccccc13)OCO2 653913907 RHBWUOLKXJVKHW-UHFFFAOYSA-N 442.642 4.672 5 1 IJBF COc1ccc(-c2nnc(-c3ccc4nc(CCc5cccc([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 587269482 DMLWTEDZXHJQPR-UHFFFAOYSA-N 441.447 4.982 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 587576948 QGKVJDBAKYCQCK-QPPBQGQZSA-N 432.432 4.604 5 1 IJBF O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1)c1ccccc1Cl 1857574177 JQAWVCDWVPVCBA-UHFFFAOYSA-N 435.827 4.893 5 1 IJBF O=C1c2c(Cl)cccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 142295324 JYKJGOLGHPFEGJ-OAQYLSRUSA-N 429.259 4.751 5 1 IJBF O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Cl 587019283 WRJJPDYAIHTFOG-UHFFFAOYSA-N 428.857 4.610 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(OC(F)(F)F)c2[nH]1 587264467 SEAQGFXKTJSYCO-SNVBAGLBSA-N 439.346 4.721 5 1 IJBF CCCCNC[C@H](O)COc1cc(OCc2ccccc2)c2c(=O)c3ccccc3oc2c1 1772653045 VSLVUZOBLPBVCS-FQEVSTJZSA-N 447.531 4.655 5 1 IJBF CC(C)(C)OC(=O)N1C[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C(F)(F)C1 587132149 LEUYCACPDUZSPW-CQSZACIVSA-N 425.439 4.629 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c(C)c2[nH]1 587266280 ZUWXMRBFHDIUOV-NSHDSACASA-N 448.273 4.893 5 1 IJBF CCCCCOc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587276851 OBMNUVKUZUIVBL-GFCCVEGCSA-N 436.310 4.803 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2[N+](=O)[O-])N1 587675465 BSGDUBAYJSALTG-VPTHRUTESA-N 444.098 4.883 5 1 IJBF C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 34804389 GVYXGABQUWIFOF-UHFFFAOYSA-O 427.952 4.510 5 1 IJBF N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1F 587145279 VOSWBFQHLMJFCP-INIZCTEOSA-N 436.288 4.803 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1[N+](=O)[O-] 587865769 IETPUJBQPQCKDQ-UHFFFAOYSA-N 435.358 4.595 5 1 IJBF COc1ccc2oc3cc(C)c(OCC=C(C)C)c(COC(C)=O)c3c(=O)c2c1OC 2356428310 GWUIVKWJVIBACO-UHFFFAOYSA-N 426.465 4.680 5 1 IJBF O=[N+]([O-])c1ccc(Nc2nc(NCc3ccccc3)nc(NCc3ccccc3)n2)cc1 28332673 HVVGOUSYINJAIR-UHFFFAOYSA-N 427.468 4.748 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82147684 JATTWXXKMHXTOT-QVKFZJNVSA-N 449.511 4.874 5 1 IJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 587269296 KJXVPTDARCWGBT-UHFFFAOYSA-N 436.365 4.649 5 1 IJBF COc1cc2oc3cc(O)c(OC)c(C=CC(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C 2356491863 QXRLQTRFEMAPRP-UHFFFAOYSA-N 440.492 4.667 5 1 IJBF O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3OCc3ccccc3)oc12 13526452 IHJKQRVSBRLAMN-UHFFFAOYSA-N 431.400 4.574 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82147685 JATTWXXKMHXTOT-VFNWGFHPSA-N 449.511 4.874 5 1 IJBF COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105053 MFMAKVWINBDRCQ-QFIPXVFZSA-N 426.428 4.639 5 1 IJBF O=[N+]([O-])c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Cl 587184744 VJFDQFIKSMELQS-SNAWJCMRSA-N 425.613 4.900 5 1 IJBF COc1cc2c3c(c1)O[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)[C@@H](C2)C3=O 587417185 ADVSHJQCJSKQFO-SBUREZEXSA-N 436.851 4.530 5 1 IJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587267841 HAKCZFNDTPNSEB-UHFFFAOYSA-N 448.199 4.500 5 1 IJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc([N+](=O)[O-])ccc2-c2c(C(=O)O)cccc21 587468754 ASFJRUSOEBHPIX-VWLOTQADSA-N 445.427 4.841 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82149471 VCAHIURORKLBRS-HZPDHXFCSA-N 449.511 4.683 5 1 IJBF COC(=O)c1cccc2nc3c([C@H](O)[C@@H](CCCCC(C)C)C(=O)OC)cccc3nc12 2356323537 CGWWWFZGEOYBRY-JPYJTQIMSA-N 438.524 4.609 5 1 IJBF CC(C)=CCC[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)N1CCCCC1)C2 73157092 UZEVBPRKTBGQEP-RJYCBYKVSA-N 425.637 4.896 5 1 IJBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150306 XRHASZNJNMBFCT-UHFFFAOYSA-N 445.523 4.703 5 1 IJBF C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c3c(Br)cccc23)c1O 169727139 BTBRAURMAUKXDM-PMACEKPBSA-N 445.269 4.967 5 1 IJBF CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 96167957 MTSRNKMFUNBCKD-UHFFFAOYSA-N 440.481 4.602 5 1 IJBF O=C(NCc1ccccc1)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772623675 PGLZVHMNDJVUDF-UHFFFAOYSA-N 441.321 4.834 5 1 IJBF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055537 TYLXIONOIYDAHM-IEBWSBKVSA-N 436.295 4.910 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 587576949 QGKVJDBAKYCQCK-URXFXBBRSA-N 432.432 4.604 5 1 IJBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1cc(F)ccc1[N+](=O)[O-] 961748202 JJALQDZYQCHJBI-NRFANRHFSA-N 427.476 4.975 5 1 IJBF COc1ccccc1/C=C/c1nnc(-c2cc(C)cc3c(=O)c4ccccc4c(O)nc23)o1 1857763288 PCFCGKGKPUHPQI-VAWYXSNFSA-N 437.455 4.991 5 1 IJBF COc1cc2c(cc1OC)C[N@+]1(Cc3ccccc3)CCc3cc4c(cc3[C@H]1C2)OCO4 253806763 PDQOHBVCBCNUAB-QDPGVEIFSA-N 430.524 4.803 5 1 IJBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1cccc(C(F)(F)F)c1 473123317 VGDZQKJFVVZGBD-UHFFFAOYSA-N 449.385 4.555 5 1 IJBF CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 587390955 SVICLSPMBVHMLO-VWLOTQADSA-N 444.443 4.875 5 1 IJBF O=[N+]([O-])c1ccc(C2=NO[C@@H](COCc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)cc1 45287564 CMUIUKREVLGJNQ-CQSZACIVSA-N 449.250 4.661 5 1 IJBF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174490 SHWIXUZLTZSTKT-UHFFFAOYSA-N 445.435 4.664 5 1 IJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587514547 ZLWHZQDMHPDDBY-SANMLTNESA-N 425.440 4.927 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 587746437 JVUQHMMIVBAUPR-ODXCJYRJSA-N 430.277 4.911 5 1 IJBF CN(C)CCCCn1c2ccccc2c2c3c(c4c5ccccc5cnc4c21)C(=O)NC3=O 13488704 SYGPREKUYLVDNP-UHFFFAOYSA-N 436.515 4.721 5 1 IJBF COc1ccc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)cc1 95574306 RNFPCXMYWPXGJU-UHFFFAOYSA-N 447.852 4.722 5 1 IJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(I)c4[nH]3)c2)c1 587270329 MFJOYHGJLVOXAF-UHFFFAOYSA-N 442.216 4.805 5 1 IJBF C[C@@](O)(CSc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 73310276 WORFEVZQHVTIPL-QGZVFWFLSA-N 425.388 4.663 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016401 VEYPDIJKXSBXHM-UHFFFAOYSA-N 443.282 4.959 5 1 IJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3cccc(F)c3)cc(Cl)cn12 1857648281 UYGRIZFLRWJLFV-UHFFFAOYSA-N 445.859 4.676 5 1 IJBF O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4F)nc4ccccc34)CC2)cc1 34858517 PVKKWUSBMLGGJQ-UHFFFAOYSA-N 429.455 4.671 5 1 IJBF CCCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCCCOC(C)C 82195630 ZACHWUOQCLAFSX-SFHVURJKSA-N 434.562 4.620 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005128 OKEDILBNDSDQDV-UHFFFAOYSA-N 432.459 4.712 5 1 IJBF N[C@@H](CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587273879 WUQJRCYAXLWBIN-IBGZPJMESA-N 447.520 4.521 5 1 IJBF CC(C)COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2OCC(C)C)ccc1C(=O)O 299852392 RCEQICOJZCHGLY-UHFFFAOYSA-N 430.457 4.615 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587261963 FLEQUJDAOOALPS-SNVBAGLBSA-N 439.346 4.721 5 1 IJBF COc1cc2cc(C(=O)[C@H]3CCC[N+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC 28463455 ABNOJWGKGYSFSX-QLQJMHCHSA-N 432.606 4.917 5 1 IJBF Nn1c(-c2ccccc2)nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c1=O 28708391 OFWZIUNBOQBUHZ-UHFFFAOYSA-N 443.304 4.755 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 587675914 BLCZKBSPEHXTAT-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@@]3(c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 963036944 QBZKTDGUPUTIHX-VWLOTQADSA-N 429.451 4.728 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 587713410 CEWJZELHTRUWCK-NIVTXAMTSA-N 429.236 4.767 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587745082 JLYCSHJJBPLPSM-BIBXISHDSA-N 437.309 4.865 5 1 IJBF Cn1cc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 962698008 HDBKYPDWRBSZBM-UZUQRXQVSA-N 438.528 4.587 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2[N+](=O)[O-])N1 587679064 PXOKAQKQXHPSPV-ZKANADHPSA-N 444.098 4.883 5 1 IJBF CCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O 587743204 CNCHHVJOIQEZJS-YPMLDQLKSA-N 439.281 4.614 5 1 IJBF COc1cc2c(Br)c(O)c3c(=O)cc(C)oc3c2c(OC)c1Br 2356790831 GBHCAPBXKJMPTK-UHFFFAOYSA-N 444.075 4.502 5 1 IJBF CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773741 YWEFXPSKRHCYAH-LBPRGKRZSA-N 441.415 4.559 5 1 IJBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 115608678 PICDIDORINAMBJ-HNNXBMFYSA-N 449.385 4.582 5 1 IJBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)cc1 587342844 QBVUQLUORHETTK-LSWJPFSZSA-N 437.427 4.549 5 1 IJBF C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545019 FZABVTOPRCQFBZ-UGKGYDQZSA-N 425.824 4.917 5 1 IJBF COc1cc2oc3cc(O)c(OC)c(/C=C/C(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C 14727640 QXRLQTRFEMAPRP-MDZDMXLPSA-N 440.492 4.667 5 1 IJBF endogenous,in-man COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587336537 NPXYTOXKTUEIBO-VWNXMTODSA-N 437.423 4.808 5 1 IJBF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)CC2=O 587459993 KCPBFRSTHMDODI-QFIPXVFZSA-N 441.871 4.549 5 1 IJBF CCCCNc1ncc(C(=O)N2C[C@H](CC)CC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82135057 NEJKQXCZKYFEIS-IAGOWNOFSA-N 425.533 4.915 5 1 IJBF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1C=O 586968314 PWVLFWSQOKBREE-UHFFFAOYSA-N 441.900 4.783 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 587862689 FSBZCWSDMAFHLB-GFCCVEGCSA-N 435.358 4.593 5 1 IJBF COc1cc(/C=C2\SC(=O)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 66074470 ILKFSEKZOCZUAW-CHHVJCJISA-N 440.355 4.738 5 1 IJBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135956 KAOBDRFKKAPVHK-UHFFFAOYSA-N 445.523 4.925 5 1 IJBF N=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ncc([N+](=O)[O-])s1 299871750 ZDUHFJLSCRRMGI-NOPVENIWSA-N 438.490 4.686 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587429928 XRWAHPLFFVTZOX-DFBJGRDBSA-N 449.434 4.984 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C)c([N+](=O)[O-])c1 587865890 NSJKUWKZAXMRJH-UHFFFAOYSA-N 449.385 4.903 5 1 IJBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12 963635160 LSAGXPUXPALVEB-MYYSRTQBSA-N 444.491 4.550 5 1 IJBF Cc1cc(C)cc(-c2c(OCC[C@@H]3CCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26579001 FBGWPOPRTBLJLS-HNNXBMFYSA-N 427.888 4.504 5 1 IJBF C[C@@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341690 ZQRDPDZAODFWOM-IRLDBZIGSA-N 438.367 4.622 5 1 IJBF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])cc1OC 586988101 YXZWECOZBPZBQO-UHFFFAOYSA-N 428.400 4.744 5 1 IJBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(I)cc3[nH]2)ccc1Cl 587047271 DTQGQAIGXRLRQC-QHHAFSJGSA-N 425.613 4.900 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)(CSc1nc4ccc([N+](=O)[O-])cc4s1)[C@@H](C2)C3=O 587450035 DBECRHRMKDMDFY-RBZFPXEDSA-N 428.491 4.512 5 1 IJBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148785 OAPQYUPXHICJCU-MSOLQXFVSA-N 437.544 4.693 5 1 IJBF O=C1c2c(Cl)cccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 142295138 JYKJGOLGHPFEGJ-NRFANRHFSA-N 429.259 4.751 5 1 IJBF O=Cc1ccc(OCc2occc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586900802 MXLSRBQYMDQYRS-UHFFFAOYSA-N 442.225 4.885 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCN1CCOCC1)c1ccccc1-2 1857575707 JQKGWBPIWHQDJX-UHFFFAOYSA-N 428.488 4.875 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120603 QHXLGXOCBMJZRB-UHFFFAOYSA-N 426.152 4.796 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587697237 NBOCENMNRLQGCB-DYBLOJMWSA-N 443.700 4.956 5 1 IJBF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)nc2n1 587115507 XVUJPWIMNZECAY-UHFFFAOYSA-N 436.419 4.937 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 587574722 GYAILKWSJCIJOQ-URXFXBBRSA-N 428.400 4.794 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2Br)N1 587682449 ZAJOSCAOKNRDMV-VPTHRUTESA-N 444.098 4.883 5 1 IJBF Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Nc1nccc(-c2cccnc2)n1 73168130 RBQQJBMCMDRKLD-UHFFFAOYSA-N 426.436 4.751 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3c(oc(=O)c4ccccc43)c1C)O2 587407454 ILRONZZZFXLYBP-AREMUKBSSA-N 429.472 4.948 5 1 IJBF COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)ccc1OC(F)F 587645455 VXGFHXXAKHWTTI-UHFFFAOYSA-N 430.285 4.936 5 1 IJBF COc1cc(/C=C2\SC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 66079534 ZRKIDFSLYHMIMN-CHHVJCJISA-N 440.355 4.738 5 1 IJBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC[C@](C)(O)CCC=C(C)C 15120671 BPANZWARHZNCBM-XMMPIXPASA-N 428.481 4.502 5 1 IJBF biogenic COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc([N+](=O)[O-])ccc13)/C(=C/Cl)N2 587645089 VCJSMDGYYYPCEJ-GIJQJNRQSA-N 428.832 4.512 5 1 IJBF COc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1[N+](=O)[O-] 587752548 RQPRBWFFOCFIQN-YYSFKGJASA-N 434.265 4.610 5 1 IJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586973800 RELZLAGRNNJJHV-UHFFFAOYSA-N 426.542 4.718 5 1 IJBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587512117 LCDYLOFEZUZVHN-OAQYLSRUSA-N 449.463 4.715 5 1 IJBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCCCCC(=O)NO)cc3)cc12)c1ccccc1 138883853 BJVFDJMSCQOJHZ-QGZVFWFLSA-N 445.523 4.853 5 1 IJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)ncc2[nH]1 587058053 ZXAOJGTVGDTMQO-OAHLLOKOSA-N 441.797 4.665 5 1 IJBF COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 8685977 IUBFXBLCWYIREW-UHFFFAOYSA-N 434.477 4.673 5 3 IJBF CCOc1cc(-c2cccc(F)c2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 587870935 LUYLXGWCCRWOSO-UHFFFAOYSA-N 440.309 4.912 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 587713409 CEWJZELHTRUWCK-LZVRBXCZSA-N 429.236 4.767 5 1 IJBF OCCOCCOCCOc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 95560878 SJOYFHUOHDCRCQ-UHFFFAOYSA-N 442.515 4.941 5 1 IJBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587109535 XOKNQPAUCOOOBC-UHFFFAOYSA-N 430.136 4.618 5 1 IJBF COc1cc2c3c(c1)O[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)[C@@H](C2)C3=O 587417184 ADVSHJQCJSKQFO-GAJHUEQPSA-N 436.851 4.530 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 587675485 BWTUJEUYZYONJL-VPTHRUTESA-N 444.098 4.883 5 1 IJBF Cn1ccc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)n1 103288770 LUOBQRVUQRDMPE-DZHMJCDGSA-N 438.636 4.732 5 1 IJBF O=C(NCCc1cccc(F)c1)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149692 NOVZIEIVORIKMY-UHFFFAOYSA-N 449.486 4.518 5 1 IJBF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc([N+](=O)[O-])c1 587391762 YMJLPHFMWDRZIH-QHCPKHFHSA-N 434.448 4.780 5 1 IJBF CCCNC(=O)OCc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12 5486920 JFGQGQIBGFGFFN-UHFFFAOYSA-N 441.597 4.805 5 1 IJBF NS(=O)(=O)c1cc2nc(-c3c(Cl)cccc3Cl)n3c4ccccc4oc(c1)c23 95591741 QYRWMJBFTOJULZ-UHFFFAOYSA-N 432.288 4.855 5 1 IJBF Cc1c(-c2nc3c(C)c(Br)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979671 HUCVHLCGDZNBCR-UHFFFAOYSA-N 426.068 4.675 5 1 IJBF Cc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br 587268843 BNMYOIRRNASLEB-UHFFFAOYSA-N 443.301 4.562 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1[N+](=O)[O-] 587542516 YNBPWUDRJSNRNK-PXNSSMCTSA-N 442.221 4.766 5 1 IJBF COc1ccc(Cl)c2c1CCN[C@]2(C[C@H]1CC[C@@H](C(=O)O)C1)c1cccc([N+](=O)[O-])c1 963271109 SDCBTOPBMPHDPK-JIQFQSSQSA-N 444.915 4.537 5 1 IJBF COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174850 CHARGWNUCYRPRE-UHFFFAOYSA-N 433.493 4.901 5 1 IJBF CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 587667128 HKHDQULMKPTFJA-UHFFFAOYSA-N 430.464 4.513 5 1 IJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccccc3)cc(Cl)cn12 1857767016 YKANVGDKISMCSB-UHFFFAOYSA-N 427.869 4.537 5 1 IJBF CC[C@H](C)NC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82135612 ICLWCXQXYZGMQV-AWEZNQCLSA-N 439.903 4.846 5 1 IJBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1Cl)c1c[nH]c2ccccc12 299833710 ZIJVYMIBKKGNTK-MDZDMXLPSA-N 436.855 4.953 5 1 IJBF COc1cccc(-c2coc3c(c(O)cc4occ(-c5cccc(OC)c5)c(=O)c43)c2=O)c1 653891153 MTMUAWIBCRERJJ-UHFFFAOYSA-N 442.423 4.956 5 1 IJBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCC 4213814 ICPTYUDFSFPTQL-LEWJYISDSA-N 435.521 4.542 5 1 IJBF O=[N+]([O-])c1ccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)cc1F 587152003 WKVVSSBGTQBOCJ-UHFFFAOYSA-N 445.042 4.714 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 587573007 ARCBGJPORHUSOI-WIOPSUGQSA-N 446.459 4.994 5 1 IJBF COC(=O)c1cccc2nc3c([C@@H](O)[C@@H](CCCCC(C)C)C(=O)OC)cccc3nc12 2356323539 CGWWWFZGEOYBRY-WZONZLPQSA-N 438.524 4.609 5 1 IJBF CCN(CC)CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 13603167 SIUIOIMGSVGHKG-UHFFFAOYSA-N 429.520 4.654 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(F)c(C(=O)O)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587422530 FCGQBXXTNLCRRL-SBUREZEXSA-N 449.390 4.596 5 1 IJBF COP(=O)(OC)[C@@H](OC(=O)COc1cc(C)ccc1Cl)c1cccc([N+](=O)[O-])c1 103205059 BPZNQKCEYWMVKA-GOSISDBHSA-N 443.776 4.663 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 587680173 SRCCKDZRTYWWJA-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CN(C)CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccc(OCCCN2CCCCC2)cc1 28892976 LMCJCKKIGOGRRE-RUZDIDTESA-N 441.572 4.921 5 1 IJBF COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82221490 YWCPEGCNNFGWFA-UHFFFAOYSA-N 445.479 4.987 5 1 IJBF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)C2 100646761 NIAWVABUSUNUMW-LRSLUSHPSA-N 428.916 4.600 5 1 IJBF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C(F)(F)C1 587132148 LEUYCACPDUZSPW-AWEZNQCLSA-N 425.439 4.629 5 1 IJBF O=[N+]([O-])c1cnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 587152648 BYKWGVOWJWQTNN-UHFFFAOYSA-N 447.455 4.545 5 1 IJBF Cc1cc(N2CCC(NC(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c2cc(F)ccc2n1 299869533 UXMRIIRRJROBBU-UHFFFAOYSA-N 439.516 4.546 5 1 IJBF CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](COC(=O)c1ccccc1)c1ccccc1)C2 100055075 QCUZZRKXNHSZNN-VTJKGOPFSA-N 436.572 4.719 5 1 IJBF world COC(=O)c1ccc(Oc2ccc3nc(COc4ccc([N+](=O)[O-])c(OC)c4)[nH]c3c2)cc1 587262905 HSLSZXYLCKKJBN-UHFFFAOYSA-N 449.419 4.638 5 1 IJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc([N+](=O)[O-])c21 587471456 QTRFXIQKMBQTNY-RUZDIDTESA-N 429.428 4.706 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 587713243 CMRVHQGDDYMCGX-PWJLMRLQSA-N 431.208 4.721 5 1 IJBF Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NCCCn2ccnc2)c1Cl 1772620618 XUDVUSWLCSLWNU-UHFFFAOYSA-N 431.855 4.647 5 1 IJBF COc1ccc(-c2csc3ncn4c(=O)c5cc(Br)ccc5nc4c23)cc1 45386114 PKZUQNDHIWAGGK-UHFFFAOYSA-N 438.306 4.896 5 1 IJBF CSc1nc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C=C1Cl)N2 66101315 GVNJBGNISFLQPS-OAHLLOKOSA-N 444.944 4.775 5 1 IJBF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82148263 WRIQWFUYLAVVLT-LAUBAEHRSA-N 437.544 4.597 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1[N+](=O)[O-] 587573067 AZYWOVFYYYJJOI-URXFXBBRSA-N 428.400 4.794 5 1 IJBF COc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963118434 FXAGEQYBKDOZIA-IBGZPJMESA-N 449.294 4.671 5 1 IJBF CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])NCCc2c(Cl)cc(Cl)cc21 963127013 YSZCBXPZPQUSSW-IBGZPJMESA-N 443.714 4.898 5 1 IJBF COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)C(=O)O)cc2NC3=O)ccc1[N+](=O)[O-] 43074242 ALQNGQOVYQZQPF-UHFFFAOYSA-N 447.447 4.942 5 1 IJBF COCCOc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587266539 ZXMRWMZPFVCMIT-UHFFFAOYSA-N 431.754 4.715 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CC[N@+](C)(Cc4ccccc4)CC[C@H]3O)sc2cc1OC 261180995 WCCVUCMETCYHRK-KYTVRQNUSA-N 440.585 4.519 5 1 IJBF O=[N+]([O-])c1ccc2[nH]cc([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)c2c1 962957141 MBXSTHDZIFHIQG-HXUWFJFHSA-N 431.414 4.836 5 1 IJBF Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3cccnc32)c(C)c1 84739214 AHMMXCOCBJLJLC-UHFFFAOYSA-N 447.520 4.985 5 1 IJBF C[C@@H]1[C@H]2Cc3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3[C@@]1(c1ccccc1)CCN2C 169320457 PMEGYUXSKORVSK-ADCSMLMYSA-N 442.515 4.996 5 1 IJBF O=[N+]([O-])c1cc(/C=C/c2nc3cccc(I)c3[nH]2)ccc1Cl 587047805 NVUWGCDPEZUTIK-FNORWQNLSA-N 425.613 4.900 5 1 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433.464 4.722 5 1 IJBF CCOC(=O)c1c(-c2ccccc2I)[nH]c2cc([N+](=O)[O-])ccc12 587645616 FTUDMUBHXAKOLB-UHFFFAOYSA-N 436.205 4.524 5 1 IJBF COc1cc2c(OCCCN(C)C)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857628992 FFULXXIQPWCBAP-UHFFFAOYSA-N 434.492 4.618 5 1 IJBF O=C(NC[C@H](c1ccccc1)n1ccnc1)c1ccc2sc3ccccc3c(=O)c2c1 70463128 UYGQZVZZVLWFIF-OAQYLSRUSA-N 425.513 4.631 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82134388 YGQOCAOXNVRZAP-BTYIYWSLSA-N 449.511 4.874 5 1 IJBF C[C@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341691 ZQRDPDZAODFWOM-RBBKRZOGSA-N 438.367 4.622 5 1 IJBF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4153250 NSTKWLOUBHKXPV-TZIWHRDSSA-N 445.903 4.655 5 1 IJBF Cc1c(C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1Cc1ccc([N+](=O)[O-])cc1 40900077 CLXPUOTZMARZRJ-UHFFFAOYSA-N 447.878 4.788 5 1 IJBF COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174862 WPGWDWFKCAXSTK-UHFFFAOYSA-N 431.452 4.678 5 1 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82149489 NSJZCRPFFIRMGG-CQSZACIVSA-N 439.903 4.846 5 1 IJBF Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)cc2)cc1 299868519 RPWKPDPYMAVEEE-UHFFFAOYSA-N 434.477 4.761 5 1 IJBF CCOC(=O)c1cnn(-c2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)c1C(F)(F)F 587114538 DRCNXVLWTWMDAU-UHFFFAOYSA-N 445.357 4.519 5 1 IJBF CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 64416890 MQKQRPAYWMSSIN-IBGZPJMESA-N 437.887 4.830 5 1 IJBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135805 LIRJPESKXAWDBP-ROUUACIJSA-N 445.523 4.782 5 1 IJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)c(Cl)cnc2[nH]1 587057454 WWNRRUCHTXSXIM-CYBMUJFWSA-N 442.690 4.953 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 587722114 YGVQNASMPHQICX-PWJLMRLQSA-N 431.208 4.721 5 1 IJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3cccs3)cc(Cl)cn12 1857770934 BMMXCJSULLDYIW-UHFFFAOYSA-N 433.898 4.598 5 1 IJBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3c(Cl)cccc3c2=O)cc1 58575864 XXCWMDYAHBZBNA-KPKJPENVSA-N 447.834 4.816 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587264809 TWRZNDICMZVDRW-MRVPVSSYSA-N 425.775 4.754 5 1 IJBF Cc1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746778 LEOIBLUCUHZJAL-HZBLIWMUSA-N 448.336 4.658 5 1 IJBF O=C(CCNc1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 96258313 QYKFEGRKLOWGEL-UHFFFAOYSA-N 447.498 4.923 5 1 IJBF CCOC(=O)CCC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](CC)Cc2c1[nH]c1ccccc21 962956890 SNAWJGBNSKZORS-IQGLISFBSA-N 435.524 4.977 5 1 IJBF O=[N+]([O-])c1ccc(O[C@H]2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)c(C(F)(F)F)c1 253666623 MTJUBCJNVJWLHX-CWPLJXCYSA-N 449.433 4.571 5 1 IJBF CC1(C)C[C@@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)c2cc(Br)ccc2O1 35970479 ZIJLARUXEXUTGH-OAHLLOKOSA-N 436.331 4.946 5 1 IJBF C[C@H](Oc1cccc([N+](=O)[O-])c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 95601087 PWBTYBHLXLDUDX-LBPRGKRZSA-N 438.827 4.857 5 1 IJBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 473133389 ZHWFKHRUGHPKRA-HNNXBMFYSA-N 433.386 4.703 5 1 IJBF CCCn1cnc2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc(Br)c21 587003465 JZXHDLUZSSLRJM-UHFFFAOYSA-N 445.233 4.569 5 1 IJBF CCCCCOc1cc(OC[C@@H](O)CNCCCC)cc2oc3ccccc3c(=O)c12 1772608718 YVFOMMZPFZNMDF-SFHVURJKSA-N 427.541 4.645 5 1 IJBF Nc1ccc2c3c(cccc13)C(=O)N(CCCCCCCCCn1ccnc1[N+](=O)[O-])C2=O 26378692 XMUCRQWVHXRKBZ-UHFFFAOYSA-N 449.511 4.554 5 1 IJBF N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1F 587145280 VOSWBFQHLMJFCP-MRXNPFEDSA-N 436.288 4.803 5 1 IJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587268168 MPYYAFSKXSJKTQ-UHFFFAOYSA-N 432.200 4.621 5 1 IJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 587511756 ILMIPKXZNSXTRP-AREMUKBSSA-N 425.440 4.927 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1Br 587539106 HPBANMZCAHIJKI-YLJYHZDGSA-N 442.221 4.766 5 1 IJBF COc1ccc2c(c1)[C@](c1ccc([N+](=O)[O-])cc1)(c1cccc(OC(C)=O)c1)N[C@@H]1CC[C@@H]21 962999879 ZMCOQPVAGDAYHS-DMDYGQEQSA-N 444.487 4.670 5 1 IJBF COc1ccc([C@@]2(CCC(C)(C)[N+](=O)[O-])c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962623663 IPMCRMHWXQJGFS-GKVSMKOHSA-N 442.556 4.668 5 1 IJBF CCOC(=O)c1c2c3ccc(S[C@H](C)[C@]4(C)CSCO4)c4cccc(c-2nc1=O)c43 71294685 IBCFLQFWCYTALG-SPSFWMDKSA-N 439.558 4.866 5 1 IJBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1C 587165840 LWNCZQMLACELAG-UHFFFAOYSA-N 436.443 4.807 5 1 IJBF COC(=O)c1cccc2nc3c(C(=O)[C@H](CCCCC(C)C)C(=O)OC)cccc3nc12 2356794277 HUTBNAFIRGJXJT-SFHVURJKSA-N 436.508 4.758 5 1 IJBF CCN(C)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 105177001 NIAULWWYYYYKLV-QHERXFFYSA-N 437.544 4.626 5 1 IJBF Cc1c(Br)cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C 587264957 AZDIPVKJUDBPHK-JTQLQIEISA-N 434.250 4.932 5 1 IJBF O=C(O)CCc1ccc(Nc2ncc([N+](=O)[O-])c(NC34CC5CC(CC(C5)C3)C4)n2)cc1 29043528 VPJUYPLDQXBZDY-UHFFFAOYSA-N 437.500 4.526 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)c(Br)cc2[nH]1 587264417 RKEGCURWRSOJOL-NSHDSACASA-N 448.273 4.893 5 1 IJBF COc1cc(N[C@H](C)CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ncccc2c1 169327396 JNTYYVQTDUMILW-XLNAKTSKSA-N 434.496 4.562 5 1 IJBF CC(C)COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br 587267301 IFIOCQHLFABSHO-UHFFFAOYSA-N 436.310 4.637 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587695461 JZBXGTJHDMALEF-LZVRBXCZSA-N 443.700 4.956 5 1 IJBF COc1cc(N[C@@H](C)CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ncccc2c1 169327395 JNTYYVQTDUMILW-KQPPXVQYSA-N 434.496 4.562 5 1 IJBF O=[N+]([O-])c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl 587002950 ZHRXUDGDCUTHMY-OWOJBTEDSA-N 436.649 4.829 5 1 IJBF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C1CCCC1 587224815 HOCJDLQOLGMXTD-CYBMUJFWSA-N 439.310 4.990 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577874 UIHBCYVSCDJNAK-XUZZJYLKSA-N 433.416 4.502 5 1 IJBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587047888 BSYBONGWTGFOLV-SREVYHEPSA-N 445.838 4.654 5 1 IJBF CC1=C(c2ccc3[nH]c(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc3c2)NNC(=O)C1 587272623 WUBFJATVWYETGZ-UHFFFAOYSA-N 441.447 4.686 5 1 IJBF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Br)c([N+](=O)[O-])cc31)CC2=O 587459459 XENAEOPSXVGFHU-FQEVSTJZSA-N 432.270 4.822 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 587680172 SRCCKDZRTYWWJA-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF O=S(=O)(NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)c1ccccc1 169348192 UFJPXJYTHCEYDG-UHFFFAOYSA-N 430.533 4.650 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 587261967 FMHIRUQVMFTHAM-QMMMGPOBSA-N 425.228 4.524 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 587577354 RYHWXJVMNSEASO-ZJSXRUAMSA-N 428.400 4.794 5 1 IJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587947006 QDWXWIXGQQRLSV-KRWDZBQOSA-N 433.524 4.675 5 1 IJBF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc([N+](=O)[O-])cc1 587388866 HBMCXHFVZAMPIY-JOCHJYFZSA-N 434.448 4.780 5 1 IJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513784 ULYGLTFILJOAOV-QFIPXVFZSA-N 433.464 4.722 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] 587542514 YNBPWUDRJSNRNK-FXAWDEMLSA-N 442.221 4.766 5 1 IJBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1c(Cl)ccc(F)c1Cl 587646391 RCBLXNDMPKXULK-UHFFFAOYSA-N 425.199 4.930 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2Br)N1 587678481 NSNLFXZUPJBQQD-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)ccc1Cl 1857550963 XBNFGYVFBNCYHR-UHFFFAOYSA-N 429.841 4.857 5 1 IJBF COc1ccc(CN=c2nc3[nH]c4c(c(-c5ccc([N+](=O)[O-])cc5)c-3s2)CCC4)cc1 1857570234 LEMMYXGRJOZRDA-UHFFFAOYSA-N 432.505 4.749 5 1 IJBF COc1ccc(CN2C(=O)c3cc(O)cc4c3c2cc2cc(OC)c(O)c(OC)c24)cc1 27108642 MUXVIGRSLSMAOZ-UHFFFAOYSA-N 431.444 4.590 5 1 IJBF CCOCc1nc2c([N+](=O)[O-])cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28365428 WVZGAHNCRKSYMF-UHFFFAOYSA-N 431.448 4.895 5 1 IJBF COc1ccc2c(c1)[nH]c1c3[nH]c4cc(Br)ccc4c3c3c(c21)C(=O)NC3=O 13519388 JBSMKKXBEWWBIS-UHFFFAOYSA-N 434.249 4.610 5 1 IJBF O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c(F)c1 45289746 RKGJREORQUFLFX-XCVCLJGOSA-N 436.374 4.779 5 1 IJBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C/c1cccc(Cl)c1)c1c[nH]c2ccccc12 299824728 IRDWJYOGZOTMLD-CMDGGOBGSA-N 436.855 4.953 5 1 IJBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cc2)cc1F 587147745 RGINUHISWIXFMW-UHFFFAOYSA-N 432.455 4.926 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587231973 JMQJDAZUUOZSIQ-UHFFFAOYSA-N 427.258 4.783 5 1 IJBF CCCCNc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149995 NNFUIPOLHQZVFK-UHFFFAOYSA-N 433.512 4.926 5 1 IJBF O=[N+]([O-])c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl 587002956 ZHRXUDGDCUTHMY-UPHRSURJSA-N 436.649 4.829 5 1 IJBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)cc1 587342848 QBVUQLUORHETTK-NWSQWKLXSA-N 437.427 4.549 5 1 IJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 587512834 OVBTUGAFFCWDST-RISWYLRJSA-N 430.504 4.944 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587577339 RWRIXPKGEXSFLJ-HYBUGGRVSA-N 435.432 4.748 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 587708293 ATCISTACARZAHR-XXFAHNHDSA-N 433.199 4.837 5 1 IJBF C[C@H]1CC(=O)c2c(c3c(c4c(-c5ccc([N+](=O)[O-])cc5)cc(=O)oc24)OC(C)(C)C=C3)O1 29133039 OHLVIQMCEVIJJA-LBPRGKRZSA-N 433.416 4.906 5 1 IJBF COc1cc2c(cc1OC)S[C@H](C(=O)C[C@@H]1C=CC[N@+](C)(Cc3ccccc3)CC1)C2 253837887 XXUAMLUZORJNNC-VHEIIQRDSA-N 438.613 4.903 5 1 IJBF O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587269939 JNWBODKLHAVATC-UHFFFAOYSA-N 430.180 4.917 5 1 IJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ncccn3)c([N+](=O)[O-])c1)CC2=O 587494757 YOWQCIDMWYWBJV-LJQANCHMSA-N 437.477 4.901 5 1 IJBF CCOC(=O)COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCCN1C3 1772606548 OGQKWCDBRDZDGB-QGZVFWFLSA-N 449.547 4.863 5 1 IJBF CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82135414 ICPYIMATAXBKOA-GVDBMIGSSA-N 425.533 4.913 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005418 IDINWQVHRPNPHX-UHFFFAOYSA-N 432.459 4.712 5 1 IJBF Cc1onc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1COc1ccc(Cl)cc1 587074923 ATWVHBGKPLFGQD-UHFFFAOYSA-N 429.776 4.575 5 1 IJBF CCCCCOc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br 587267778 QRLPUDZKNFUDHS-GFCCVEGCSA-N 436.310 4.917 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc2cc([N+](=O)[O-])ccc12 587579379 ZFFRHGWKOFXIPE-URXFXBBRSA-N 429.384 4.862 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc2cc([N+](=O)[O-])ccc12 587579380 ZFFRHGWKOFXIPE-XUZZJYLKSA-N 429.384 4.862 5 1 IJBF COc1c(O)cc2oc3c(C=O)c(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 13409911 JEENJJQVTSVKRW-UHFFFAOYSA-N 438.476 4.902 5 1 IJBF biogenic O=C(CNc1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 96258331 SCCSPGNMUMILKS-UHFFFAOYSA-N 433.471 4.533 5 1 IJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc([N+](=O)[O-])c1 587136835 OKNUAWLKNDRSSP-UHFFFAOYSA-N 425.441 4.656 5 1 IJBF O=[N+]([O-])c1cccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587270943 XRJYXZAHMCAUEC-UHFFFAOYSA-N 430.180 4.917 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 587750942 KQHXTMKNIFUNHN-MPBGBICISA-N 430.277 4.911 5 1 IJBF COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC 26577811 LCPNCJGFVKMHPW-OKILXGFUSA-N 448.472 4.595 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc([N+](=O)[O-])cc3)C2)N1 587749635 DZQSWYHTWPDUDA-PYDTXJQDSA-N 447.304 4.763 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 963027911 ASMZVDPAWCXYGJ-RUZDIDTESA-N 429.451 4.728 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3ccc(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] 587265053 LDMJZAAMLFETDR-UHFFFAOYSA-N 426.274 4.762 5 1 IJBF O=C(NCc1ccccc1)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82135890 RXALKWHXLBFHMM-UHFFFAOYSA-N 439.475 4.594 5 1 IJBF O=C(O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857583340 CJKNCFNAAUTZKV-UHFFFAOYSA-N 445.475 4.679 5 1 IJBF O=C1c2cc([N+](=O)[O-])ccc2CC[C@@H]1CCN1CCC(c2noc3cc(F)ccc23)CC1 103232438 XCJLVDRQFATWPP-QGZVFWFLSA-N 437.471 4.890 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC 253694447 ABNOJWGKGYSFSX-MIAKESKMSA-N 432.606 4.917 5 1 IJBF CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2cc(OC)cc(OC)c12 1911580365 JSZBSKLTZBAAIC-UHFFFAOYSA-N 442.471 4.566 5 1 IJBF CC(C)([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)[C@H](C[N+](=O)[O-])c1ccccc1 587579143 ZBXXXVNWQDTWBL-ZHRMCQFGSA-N 433.460 4.809 5 1 IJBF COc1ccc2c(c1)[C@](c1ccc([N+](=O)[O-])cc1)(c1cccc(OC(C)=O)c1)N[C@@H]1CC[C@H]21 962999878 ZMCOQPVAGDAYHS-ARMFNRFLSA-N 444.487 4.670 5 1 IJBF Cc1cccc2oc3cc(=NCCN4CCCC4)c4c(O)c5ccccc5c(O)c4c-3nc12 2356835237 KPWCVNPHUPDGJL-UHFFFAOYSA-N 439.515 4.955 5 1 IJBF Cc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073769 MKTNWLVFWBCNMH-UHFFFAOYSA-N 447.680 4.502 5 1 IJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1 82135413 ICPYIMATAXBKOA-ULQDDVLXSA-N 425.533 4.913 5 1 IJBF O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)Nc1cccc([N+](=O)[O-])c1 96167977 OBVRHSVCCTZDOM-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF O=CNN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O 27517614 WFSBQRYDVUZTAO-UHFFFAOYSA-N 437.242 4.519 5 1 IJBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCCC(C)(C)O 42989962 VQIHPPHJAYRDMW-NTUHNPAUSA-N 428.481 4.502 5 1 IJBF O=[N+]([O-])c1ccc(Nc2nnc(-c3cccnc3Nc3cc(F)c(F)c(F)c3)o2)cc1 169325166 RVIKLWHOABPIFD-UHFFFAOYSA-N 428.330 4.944 5 1 IJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 587264185 CWKQZYJEAIQKGC-NSHDSACASA-N 429.396 4.649 5 1 IJBF C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C 82135159 LBZOZGYKRBWOQY-LPNJYYIDSA-N 449.555 4.674 5 1 IJBF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82136064 ABYCCYXSSVDRHX-UHFFFAOYSA-N 439.560 4.796 5 1 IJBF CCCCN[C@@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2C(=O)CC[C@@H]12 103205344 AOQHSNORNSQRRV-CUNXSJBXSA-N 448.563 4.954 5 1 IJBF Cc1ccc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)c([N+](=O)[O-])c1 587874595 FZPMTQJFSGRZNQ-UHFFFAOYSA-N 435.367 4.872 5 1 IJBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccc(C(F)(F)F)cc1 1857607030 YBZGFLKKAVXFSH-UHFFFAOYSA-N 448.449 4.533 5 1 IJBF Cc1cccc([N+](=O)[O-])c1Sc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 1911584144 MBQLYAAUSXBJOM-UHFFFAOYSA-N 438.417 4.892 5 1 IJBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCC 4213812 ICPTYUDFSFPTQL-RTWAWAEBSA-N 435.521 4.542 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120240 DTEWXIJRVNKOSA-UHFFFAOYSA-N 444.089 4.661 5 1 IJBF C[C@]12CC[C@@H]3[C@@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 27327162 UYNSRKBUFVSFKD-BITLHWQFSA-N 447.535 4.642 5 1 IJBF CC(C)CN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148478 ZPYDEPCZGRJXBJ-UHFFFAOYSA-N 425.533 4.549 5 1 IJBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587049297 GGIPIECMZFQHEG-MDZDMXLPSA-N 427.848 4.515 5 1 IJBF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2cccc([N+](=O)[O-])c2)cc1 96929015 WDTRGTXODXHSDD-QNGOZBTKSA-N 447.468 4.507 5 1 IJBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)cc1 28961968 BNNXTUGRDIUUBD-AREMUKBSSA-N 442.519 4.783 5 1 IJBF NCC1CCC(CNc2nc(NCc3ccccc3-c3ccccc3)ncc2[N+](=O)[O-])CC1 28898473 MAQYKHDNQAQWIO-UHFFFAOYSA-N 446.555 4.841 5 1 IJBF COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@H]1c1ccccc1Cl 587062721 JTPVJEVGBYYWFQ-YCRPNKLZSA-N 442.903 4.527 5 1 IJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587119015 VXNHYLKBYQJGKN-UHFFFAOYSA-N 431.374 4.622 5 1 IJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587117696 KZDPOSVLFPZUPZ-UHFFFAOYSA-N 427.692 4.715 5 1 IJBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1OCCc1ccccc1 587943353 XPVBSYCQBPFWNY-UHFFFAOYSA-N 435.249 4.923 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CC[N+](C)(Cc4ccccc4)CC[C@H]3O)sc2cc1OC 36286884 WCCVUCMETCYHRK-FUHTXCSMSA-N 440.585 4.519 5 1 IJBF O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1ccc2sc3ccccc3c(=O)c2c1 70463129 UYGQZVZZVLWFIF-NRFANRHFSA-N 425.513 4.631 5 1 IJBF CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134733 JRHYYUIMGROIIO-UHFFFAOYSA-N 437.544 4.598 5 1 IJBF CC(C)(C)OC(=O)n1cc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 96938449 MLTVYFVIQQAVEB-UHFFFAOYSA-N 426.498 4.819 5 1 IJBF Cc1cc(Br)ccc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586981983 XUNWIXBIDXHHRB-UHFFFAOYSA-N 441.079 4.884 5 1 IJBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC 587434345 TYEYEENCHZZZIR-APCLUVAMSA-N 427.453 4.526 5 1 IJBF CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn1C)CC2=O 587471343 PYEISSGICDSSRS-QFIPXVFZSA-N 434.448 4.529 5 1 IJBF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 82149944 DWYCXSHETABLPG-CQSZACIVSA-N 439.903 4.846 5 1 IJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 587270690 QODKJHUNCMFOGA-UHFFFAOYSA-N 440.213 4.871 5 1 IJBF Cc1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587744781 FQEHRFCQPHVXLZ-GGHGJACCSA-N 448.336 4.658 5 1 IJBF COc1ccc(CNc2cc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)cc1OC 1857546209 VJUXVBJUWFVQNT-UHFFFAOYSA-N 440.399 4.818 5 1 IJBF CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1 82149891 KLAYTVXPWYRBQJ-UHFFFAOYSA-N 445.523 4.925 5 1 IJBF Cc1cc(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)ccc1[N+](=O)[O-] 587653382 UUNXKALVKIFVNQ-UHFFFAOYSA-N 449.850 4.534 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587697239 NBOCENMNRLQGCB-LZVRBXCZSA-N 443.700 4.956 5 1 IJBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)N1 962947479 NNZRKXYEEDNUET-QVKFZJNVSA-N 433.537 4.975 5 1 IJBF O=C(NCCc1cccc(F)c1)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135579 ATOYQHCJANLTJW-UHFFFAOYSA-N 449.486 4.518 5 1 IJBF O=C(O)Cc1cn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccc(Br)cc12 103264233 DCYIMTKVVVUJIH-UHFFFAOYSA-N 443.175 4.947 5 1 IJBF CC1=C(Cn2c3ccc(Br)c(=O)c-3nc3ccccc32)CCC(C)(C)[C@@H]1O 2356792403 JREKSNBRIDHCTK-OAQYLSRUSA-N 427.342 4.761 5 1 IJBF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1C=O 586968177 OHCKRICAMFOZIO-UHFFFAOYSA-N 441.900 4.783 5 1 IJBF O=[N+]([O-])c1cncc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586999154 XFEWWXZKPJNFMY-UHFFFAOYSA-N 425.242 4.875 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1 587576205 NHFKRMSFEIXLLS-XUZZJYLKSA-N 432.432 4.604 5 1 IJBF COc1ccc2c(c1OC)C[N+]1(Cc3ccccc3)CCc3cc4c(cc3[C@H]1C2)OCO4 43523621 ZTCXXLUNOLOKTQ-YFIOFSHDSA-N 430.524 4.803 5 1 IJBF C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c3c(Br)cccc23)c1O 169727138 BTBRAURMAUKXDM-WOJBJXKFSA-N 445.269 4.967 5 1 IJBF O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12 221970789 TXSRJQSUOUJAIH-UHFFFAOYSA-N 442.559 4.923 5 1 IJBF COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82221450 GXKBUFXZCNFRFJ-UHFFFAOYSA-N 431.452 4.741 5 1 IJBF O=[N+]([O-])c1ccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)cc1F 587152190 XIQXZHUUNQFALL-UHFFFAOYSA-N 445.042 4.714 5 1 IJBF Cc1c(Br)ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 587269788 OZERKXXRFMLHBO-UHFFFAOYSA-N 443.301 4.562 5 1 IJBF C[C@](O)(CSc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28092151 HQPNGSWPJIFCQH-INIZCTEOSA-N 434.823 4.749 5 1 IJBF Cc1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061974 QPNBDIQYTBBWQT-UHFFFAOYSA-N 433.859 4.596 5 1 IJBF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587469299 CGCUURHQUFIEFV-VWLOTQADSA-N 447.443 4.860 5 1 IJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCn3nc([N+](=O)[O-])cc3C)cc1)CC2=O 587472243 ZCHHBYQTBRABSW-NRFANRHFSA-N 437.452 4.501 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587752264 QHGDJEUASKKNJT-GIPWTMENSA-N 435.293 4.619 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc([N+](=O)[O-])cc1Cl 587860983 ICSANYBAZZEGNI-UHFFFAOYSA-N 425.750 4.828 5 1 IJBF O=C1C[C@@H](c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 587500522 PMHIELREJIVRTP-IBGZPJMESA-N 427.844 4.671 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 587747929 QXXQJLJVDNZTIP-ODXCJYRJSA-N 434.309 4.720 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587749243 CZOSYFVUJDVQJN-YBTHPKLGSA-N 435.293 4.619 5 1 IJBF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4055534 TYLXIONOIYDAHM-HKUYNNGSSA-N 436.295 4.910 5 1 IJBF Cc1c(-c2nc3ccc(Br)c(O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979518 DWNPFOUOEFIMNI-UHFFFAOYSA-N 427.052 4.677 5 1 IJBF O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1cccc([N+](=O)[O-])c1F 13761287 CKUDXCBVHBAJOZ-SNAWJCMRSA-N 438.198 4.872 5 1 IJBF CC(=O)Nc1cc(-c2nnc(SCc3ccc(Br)cc3)o2)cc([N+](=O)[O-])c1 1772629033 XAWPOPIAEGNHPD-UHFFFAOYSA-N 449.286 4.658 5 1 IJBF CCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3n(CCN(CC)CC)c2c1 43176008 HBYNOUHPMCAFIO-UHFFFAOYSA-N 444.019 4.871 5 1 IJBF in-vivo O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 49799606 LFKDQCVODYHILG-XMMPIXPASA-N 449.482 4.997 5 1 IJBF COc1cc2c(cc1OC)S[C@H](C(=O)C[C@H]1C=CC[N@@+](C)(Cc3ccccc3)CC1)C2 253837880 XXUAMLUZORJNNC-FNLHRSDSSA-N 438.613 4.903 5 1 IJBF Cc1ccc(NC(=O)CSCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586970149 HIUSUNRZGWFIJO-UHFFFAOYSA-N 427.533 4.882 5 1 IJBF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Oc1ccc([N+](=O)[O-])cn1 587432877 MCKCDUAVEAPYIK-MZNJEOGPSA-N 448.431 4.678 5 1 IJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587511239 FNHTXSPPNYURTR-SANMLTNESA-N 441.439 4.633 5 1 IJBF CCOC(=O)COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCCCN1C3 1772606547 OGQKWCDBRDZDGB-KRWDZBQOSA-N 449.547 4.863 5 1 IJBF CCN(CC)c1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 587667535 NWJAZKBAQRUNMZ-UHFFFAOYSA-N 430.464 4.513 5 1 IJBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)(C)C 587205237 ODVINROHTJXMIU-CYBMUJFWSA-N 441.326 4.716 5 1 IJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cnc2cc(Br)ccc2c1 587941322 UWZUXKBDWDGGQE-GFCCVEGCSA-N 434.290 4.923 5 1 IJBF Cc1ccc(NC(=O)CSc2nncnc2-c2cccc3ccccc23)c([N+](=O)[O-])c1 95562328 ZDECIZJLVMVIAY-UHFFFAOYSA-N 431.477 4.639 5 1 IJBF Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746777 LEOIBLUCUHZJAL-DOXGLHBSSA-N 448.336 4.658 5 1 IJBF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)NCC2 962935867 NLWHTMRWDSPRBA-RUZDIDTESA-N 449.482 4.637 5 1 IJBF O=c1c2cc([N+](=O)[O-])ccc2n([C@@H](O)/C=C/c2ccccc2)c(=S)n1Cc1ccccc1 49112464 LLPOFJPOBNBWCP-FZNBYNMYSA-N 445.500 4.693 5 1 IJBF O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Cl 587170381 AQNYUGSSEBFRNZ-UHFFFAOYSA-N 446.847 4.731 5 1 IJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(CCN3CCN(c4ccccn4)CC3)c12 587646213 XBOOVHKIWIBGAI-UHFFFAOYSA-N 445.498 4.642 5 1 IJBF CCNC(=O)c1nc(Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)c2ccccc2n1 299819208 BOVLCZOVUIQLAJ-UHFFFAOYSA-N 429.436 4.824 5 1 IJBF CCCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587264551 NOAFHYVDZYQSEA-UHFFFAOYSA-N 435.234 4.521 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1 587576200 NHFKRMSFEIXLLS-QPPBQGQZSA-N 432.432 4.604 5 1 IJBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82134850 VAXQKKXIUDCNDC-VGSWGCGISA-N 445.523 4.972 5 1 IJBF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586981034 JTQVLJZHCBDCGZ-UHFFFAOYSA-N 442.229 4.908 5 1 IJBF O=C(Nc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1)c1ccc(Br)o1 587008809 XYOCSBOVYNLZJZ-UHFFFAOYSA-N 441.241 4.670 5 1 IJBF CN(C)/C=C/[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339216 FLAVHEXTBSQEMB-LOKBFVEHSA-N 448.450 4.769 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587577345 RWRIXPKGEXSFLJ-YKSBVNFPSA-N 435.432 4.748 5 1 IJBF Cc1cc(C)cc(-c2c(OCC[C@H]3CCCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 26579360 CHQBMOWBXUMZQU-MRXNPFEDSA-N 441.915 4.894 5 1 IJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 82216901 GEBPBEAOEMNNJM-ROUUACIJSA-N 439.560 4.795 5 1 IJBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)N2 587030363 COEPNKVRAAXUKT-ISKYKNHCSA-N 433.490 4.737 5 1 IJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 587266058 IXFJLHVWFMMWTH-ZETCQYMHSA-N 440.641 4.968 5 1 IJBF Cc1cc(OCc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)ccc1[N+](=O)[O-] 587874439 ASBFUSWJRFBWRC-UHFFFAOYSA-N 435.367 4.872 5 1 IJBF CC1=C(Cn2c3ccc(Br)c(=O)c-3nc3ccccc32)CC[C@@](C)(CO)C1 2356799728 UUBGELFBAPMHPG-JOCHJYFZSA-N 427.342 4.763 5 1 IJBF CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 82159946 ACEOHCLDPHJDTE-QGZVFWFLSA-N 433.512 4.925 5 1 IJBF CCc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1 103247805 SLINCCIYUSKZBN-UHFFFAOYSA-N 448.574 4.853 5 1 IJBF C[C@@]12CCC(=O)c3c1c(nn3Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 169372196 UYNSRKBUFVSFKD-MMUXUBNZSA-N 447.535 4.642 5 1 IJBF Fc1cccc(Cn2nnc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2Cl)c1 587161263 LSYHXNNSZWUVAB-UHFFFAOYSA-N 429.846 4.759 5 1 IJBF CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702716 AKDQCRSWAYXLAK-QUCCMNQESA-N 437.477 4.798 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 587713246 CMRVHQGDDYMCGX-VPTHRUTESA-N 431.208 4.721 5 1 IJBF COc1ccccc1CNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174777 RBTGMEMAGKRJRH-UHFFFAOYSA-N 431.452 4.944 5 1 IJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587268741 CRZNZKFEFZWMQD-UHFFFAOYSA-N 427.333 4.787 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2Br)N1 587676907 ISQZYXXICBLZEZ-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF CCOc1cc(C(C)=O)c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943530 GWXOXKHSFAILSU-UHFFFAOYSA-N 429.242 4.596 5 1 IJBF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1C)c1cccc([N+](=O)[O-])c1 103205063 RDNNVCGYIMNCMZ-GOSISDBHSA-N 443.776 4.663 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1[N+](=O)[O-] 587538860 GXYNLQMLVHIVGE-PXNSSMCTSA-N 442.221 4.766 5 1 IJBF CC1=CC(C)=[N+]2[C@@H]1[C@H](c1ccc(OCCC[N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 1857764933 QJPCKEMKIJMVEV-ZEQRLZLVSA-N 442.383 4.750 5 1 IJBF Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174424 FLXZXYFUZMMZBL-UHFFFAOYSA-N 431.452 4.815 5 1 IJBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587147054 CTBQNCCEHQEXCP-UHFFFAOYSA-N 434.200 4.579 5 1 IJBF COc1ccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 587434151 RNVSPRBVTMWIOR-KOSHJBKYSA-N 433.416 4.893 5 1 IJBF O=c1c(O)c(-c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)oc2ccccc12 150610639 CBSJPHMUPAPJEL-UHFFFAOYSA-N 425.400 4.927 5 1 IJBF C[C@]12CC[C@@H]3[C@@H](Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CC[C@@]53C)[C@@H]1CCC2=O 169318122 CYEFAKCCVSSKBP-BITLHWQFSA-N 447.535 4.642 5 1 IJBF Cc1cc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Br 586978122 XMBJDHLZKPPBEN-UHFFFAOYSA-N 425.080 4.895 5 1 IJBF Cc1cc(C(=O)NCC[N+]2(C)CCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 205648078 OXDWPKWWDHUAOO-UHFFFAOYSA-O 434.535 4.959 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586978996 DZSIQGKHPCXFSX-UHFFFAOYSA-N 432.459 4.712 5 1 IJBF Cc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(Br)cc1[N+](=O)[O-] 586980046 NXLVAXJNAOXIJN-UHFFFAOYSA-N 436.575 4.623 5 1 IJBF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134636 YWHCZAMJORPEQW-LAUBAEHRSA-N 437.544 4.597 5 1 IJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 587865783 IWDPVMKLMNZPLD-ZDUSSCGKSA-N 449.385 4.984 5 1 IJBF CC(=O)Nc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3[S@@]2=O)cc1 5890688 HTXFPYPUHGNXTR-GTYOFVGBSA-N 433.489 4.927 5 1 IJBF O=C(Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)Nc1ccccc1[N+](=O)[O-] 96167972 DIRVCYUOLBAHDA-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587043559 RULXFQCOCZTIKX-MRXNPFEDSA-N 431.908 4.968 5 1 IJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587110127 STWUOOYFPFKPPY-UHFFFAOYSA-N 435.587 4.892 5 1 IJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)o1 587266329 YOXCXXXQMABLGV-UHFFFAOYSA-N 437.355 4.692 5 1 IJBF CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 587390954 SVICLSPMBVHMLO-RUZDIDTESA-N 444.443 4.875 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O 587422327 YKQPXZKSDOYTNW-OYHNWAKOSA-N 441.823 4.918 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 587713411 CEWJZELHTRUWCK-YYSFKGJASA-N 429.236 4.767 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c1)O2 587391813 ZIBMURPCUPUHAS-VWLOTQADSA-N 445.475 4.927 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 587753344 VCZMHZDSPYKLFR-YBTHPKLGSA-N 445.292 4.521 5 1 IJBF CCN(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135989 GHVFWOOOEKILDK-UHFFFAOYSA-N 431.496 4.536 5 1 IJBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 587160568 DJMUKFZHAGBACS-UHFFFAOYSA-N 446.847 4.731 5 1 IJBF C[C@@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555524 GLUVYMDDFPCLKG-AVRDEDQJSA-N 427.359 4.542 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2[N+](=O)[O-])N1 587681239 RKHDRZJBIALDGO-ZKANADHPSA-N 444.098 4.883 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 587722116 YGVQNASMPHQICX-VPTHRUTESA-N 431.208 4.721 5 1 IJBF COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163891 KQZAOZSHBVULLQ-UHFFFAOYSA-N 433.493 4.901 5 1 IJBF COc1ccc2c(c1OC)C[N@+]1(Cc3ccccc3)CCc3cc4c(cc3[C@H]1C2)OCO4 253640365 ZTCXXLUNOLOKTQ-QDPGVEIFSA-N 430.524 4.803 5 1 IJBF O=[N+]([O-])c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 587165604 FVVSCCDAWJUYBE-UHFFFAOYSA-N 428.427 4.948 5 1 IJBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587389647 MJKFRWAOGWUNJL-JOCHJYFZSA-N 448.431 4.771 5 1 IJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587947007 QDWXWIXGQQRLSV-QGZVFWFLSA-N 433.524 4.675 5 1 IJBF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1[nH]c1ccccc12 597193 RBUYDQBTXGKOAC-UHFFFAOYSA-N 432.505 4.993 5 1 IJBF CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82149851 NIAULWWYYYYKLV-ZXUOCUECSA-N 437.544 4.626 5 1 IJBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623402 SKPOWZGSPVOHDV-UHFFFAOYSA-N 429.230 4.559 5 1 IJBF COc1ccc2cc([C@@H](C)c3nnc4n3N=C(c3ccc([N+](=O)[O-])cc3)CS4)ccc2c1 653705361 YKEXOARJGLCUEY-CQSZACIVSA-N 445.504 4.858 5 1 IJBF O=[N+]([O-])c1ccc(-c2cc([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)on2)cc1 962692538 BUHWSPCGGMHLGS-AOMKIAJQSA-N 425.485 4.842 5 1 IJBF CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 64409748 GEWZAGATOIRWRY-IBGZPJMESA-N 437.887 4.830 5 1 IJBF COc1ccc(-c2coc3cc4occ(-c5ccc(OC)cc5)c(=O)c4c(O)c3c2=O)cc1 653871714 SBNZBHVFIDWDRJ-UHFFFAOYSA-N 442.423 4.956 5 1 IJBF Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82134957 UJRJSOHHBBOXLV-UHFFFAOYSA-N 447.539 4.743 5 1 IJBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccccc2F)c1O 587943366 YHECAICPARTOEX-UHFFFAOYSA-N 425.185 4.813 5 1 IJBF CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135979 KAFJCLKTLGCSSR-NLCWTHGUSA-N 437.544 4.626 5 1 IJBF CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163632 CYFLZBMYKQTUJD-UHFFFAOYSA-N 437.500 4.585 5 1 IJBF O=[N+]([O-])c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1[N+](=O)[O-] 587123014 QGJFFIIPBGYJSC-UHFFFAOYSA-N 428.348 4.711 5 1 IJBF C[C@@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555526 GLUVYMDDFPCLKG-GCJKJVERSA-N 427.359 4.542 5 1 IJBF O=[N+]([O-])c1cncc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 587153264 PJPYFAWYKOZIDJ-UHFFFAOYSA-N 447.455 4.545 5 1 IJBF O=[N+]([O-])c1cccc(Nc2cc(Nc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 1857586113 CLHFUXOHGDBZKL-UHFFFAOYSA-N 440.328 4.807 5 1 IJBF CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 40873870 YQCBSFUTWDHUBR-UHFFFAOYSA-N 427.460 4.975 5 1 IJBF O=[N+]([O-])c1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccc(Cl)cc2)cc1 31909870 KTKUOXACFRMWJV-UHFFFAOYSA-N 432.888 4.687 5 1 IJBF O=C(NC1CCCCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96939879 UUIVGHROEXITCT-UHFFFAOYSA-N 439.424 4.516 5 1 IJBF Cc1onc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1COc1ccccc1Cl 587063767 WAXOCVJPQSTHTG-UHFFFAOYSA-N 429.776 4.575 5 1 IJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587119124 YIJMETFZQLNFFY-UHFFFAOYSA-N 425.314 4.655 5 1 IJBF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCn3nc([N+](=O)[O-])cc3C)c1)CC2=O 587471505 SDUGZAQRABREFU-NRFANRHFSA-N 437.452 4.501 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 587576950 QGKVJDBAKYCQCK-XUZZJYLKSA-N 432.432 4.604 5 1 IJBF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328988 BHVLTXQPYUKTDK-OFNKIYASSA-N 441.386 4.862 5 1 IJBF O=C(c1ccccc1I)c1cc2c(ccc3ccccc32)oc1=O 40951003 KWCMMJQCJARRHW-UHFFFAOYSA-N 426.209 4.782 5 1 IJBF O=C1C[C@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2c(Br)cccc2O1 587002847 HPASQWMCIOSAQL-QMMMGPOBSA-N 436.649 4.522 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 963027914 ASMZVDPAWCXYGJ-VWLOTQADSA-N 429.451 4.728 5 1 IJBF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775326 NEYPQVQJPBHVFQ-GFCCVEGCSA-N 441.415 4.559 5 1 IJBF COc1cc2c(cc1CCCO)NC(=O)c1ccc(-c3ccc([N+](=O)[O-])c(OC)c3)cc1N2 29125560 GWKYXBWXLGDMRE-UHFFFAOYSA-N 449.463 4.513 5 1 IJBF COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174864 NUHMKECQFFWKEG-UHFFFAOYSA-N 445.479 4.987 5 1 IJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C)c(C)c2[nH]1 586949585 ZTJJYCUJRLXSCQ-UHFFFAOYSA-N 436.493 4.864 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076124 JJLHVDVGSPYIPB-UHFFFAOYSA-N 448.664 4.722 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 587676831 GDZQOZLNIAWSLW-ZKANADHPSA-N 444.098 4.883 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 587747930 QXXQJLJVDNZTIP-YUNKPMOVSA-N 434.309 4.720 5 1 IJBF C[N@+]12CCCC[C@@H]1[C@@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 254127882 COVRFRZXBPXMME-QDSGMSMLSA-N 441.595 4.856 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 587707531 VEJPNRHOGPKCIN-XXFAHNHDSA-N 433.199 4.837 5 1 IJBF CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NC1CCCCC1 82222831 LULGNIUHTFLQEJ-KRWDZBQOSA-N 434.587 4.701 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 587675492 BYQVRRQSRZPZDO-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587748075 UGJUAJXXVZZYAR-GIPWTMENSA-N 437.309 4.865 5 1 IJBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149583 YZIQOOWOYZLLLJ-IRXDYDNUSA-N 437.544 4.915 5 1 IJBF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 82149947 DWYCXSHETABLPG-AWEZNQCLSA-N 439.903 4.846 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 587747800 QDKADLHKVVYKNX-ODXCJYRJSA-N 434.309 4.720 5 1 IJBF O=[N+]([O-])c1ccc([C@]2(C(F)(F)F)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962711570 PPDPANKVYSQJKD-DNVCBOLYSA-N 426.435 4.903 5 1 IJBF CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135987 RFSLGQUXMZUQAW-UHFFFAOYSA-N 447.539 4.806 5 1 IJBF C[C@@]12CCC(=O)c3c1c(nn3Cc1ccc([N+](=O)[O-])cc1)C[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]12 169372194 UYNSRKBUFVSFKD-CNAKYOPWSA-N 447.535 4.642 5 1 IJBF O=[N+]([O-])c1ccc([C@@]2(C(F)(F)F)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962711565 PPDPANKVYSQJKD-BEFAXECRSA-N 426.435 4.903 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 587261872 DLGHERKDLFEOQU-QMMMGPOBSA-N 425.228 4.524 5 1 IJBF O=[N+]([O-])c1ccc(-c2cc([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)on2)cc1 962692539 BUHWSPCGGMHLGS-KSFYIVLOSA-N 425.485 4.842 5 1 IJBF O=c1cc(Cn2cc(CSc3nc4ccccc4[nH]3)nn2)c2ccc3ccccc3c2o1 1857534225 SMONRGKSAXTBOL-UHFFFAOYSA-N 439.500 4.755 5 1 IJBF O=[N+]([O-])c1cn(C[C@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2F)cn1 66078757 AKGIUANTUNQXHA-KRWDZBQOSA-N 443.328 4.926 5 1 IJBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135549 WXUWIEBLPSVSEB-IRXDYDNUSA-N 437.544 4.915 5 1 IJBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(F)F 587507515 QIQPRNFLIOUSAG-SFHVURJKSA-N 433.407 4.833 5 1 IJBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135314 XVJXAGLWQBKSEX-MSOLQXFVSA-N 437.544 4.693 5 1 IJBF O=[N+]([O-])c1c[nH]c2cc(Cl)ccc2c1=NCCCNCC12CC3CC(CC(C3)C1)C2 1857641805 NNFVPOIUZNXASR-UHFFFAOYSA-N 428.964 4.826 5 1 IJBF COC(=O)c1ccc2c(c1)nc(-c1ccc(F)c([N+](=O)[O-])c1)n2CCc1ccc(OC)cc1 43059716 HHFASOBQMLNTAK-UHFFFAOYSA-N 449.438 4.789 5 1 IJBF O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1F 587148930 FAWWNLOXRAPRHT-UHFFFAOYSA-N 434.143 4.971 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 587390830 RSLMJEVWXPQHLU-DEOSSOPVSA-N 429.432 4.723 5 1 IJBF O=C1C[C@@H](c2ccccc2Cl)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccccc1 653732520 SCDMTQSYYUZONX-ZTCOLXNVSA-N 436.895 4.948 5 1 IJBF c1ccc2c(NCc3cn(CCN4CCCCC4)nn3)c3oc4ccccc4c3nc2c1 1772644396 PAZSZCNPGHQPTL-UHFFFAOYSA-N 426.524 4.824 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 587676829 GDZQOZLNIAWSLW-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF COc1cc2c(cc1OC)S[C@H](C(=O)C[C@@H]1C=CC[N@@+](C)(Cc3ccccc3)CC1)C2 253837885 XXUAMLUZORJNNC-PGMDNKBISA-N 438.613 4.903 5 1 IJBF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587167511 SRYPUTDIAGYEMB-CQSZACIVSA-N 448.252 4.742 5 1 IJBF CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1OCC(C)C 299851666 ICSIYCDAPBGUNF-UHFFFAOYSA-N 430.457 4.615 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587749240 CZOSYFVUJDVQJN-BIBXISHDSA-N 435.293 4.619 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C 587859726 HMJRDMWPAAERIR-NSHDSACASA-N 438.271 4.570 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)[C@@]1(CCC2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962637737 PCKUNLFWFUIPSE-SHQCIBLASA-N 425.532 4.922 5 1 IJBF COc1cc2c(OCCn3ccnc3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857633384 DUVHSQSUXSMECM-UHFFFAOYSA-N 443.459 4.563 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 587708292 ATCISTACARZAHR-JDNHERCYSA-N 433.199 4.837 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 587722112 YGVQNASMPHQICX-BCTVWOGZSA-N 431.208 4.721 5 1 IJBF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1Cc1ccccc1 40566912 OSINYCSNZQPOGB-JOCHJYFZSA-N 435.480 4.621 5 1 IJBF Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587267245 HMZBAWQFIPFDFC-UHFFFAOYSA-N 444.264 4.901 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O 587451337 HFGHSDODPUDGTD-ZDLDCBDASA-N 442.467 4.928 5 1 IJBF COc1cccc2c3c(cnc12)CCN[C@]31CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 963035477 NFEAOJDQWPWPIR-CYFREDJKSA-N 448.479 4.759 5 1 IJBF Cn1c2nc3ccccc3c-2c(NCCCNS(=O)(=O)c2ccccc2)c2ccccc21 103081934 OBEUSFLMTXPBPB-UHFFFAOYSA-N 444.560 4.612 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)[C@@H](O)[C@@H](CCN1CCC(c3noc4cc(F)ccc34)CC1)CC2 103232403 SUDIGTAQRKSJKD-OSPHWJPCSA-N 439.487 4.741 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2Br)N1 587680185 SVINXQARANXYDN-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587203394 NLZGROLDYOLLIW-UHFFFAOYSA-N 441.326 4.815 5 1 IJBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82134858 VAXQKKXIUDCNDC-HTAPYJJXSA-N 445.523 4.972 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 587707754 WPFCLBAMEHSWMT-XXFAHNHDSA-N 433.199 4.837 5 1 IJBF COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)n1cnc([N+](=O)[O-])c1 40900821 VZLLAUXOTIJHHN-LJQANCHMSA-N 439.269 4.748 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc13)O2 587391371 WGCHFVYCSOGATF-FQEVSTJZSA-N 437.452 4.930 5 1 IJBF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 3787617 PHSFDXSFHALXMN-UHFFFAOYSA-N 433.299 4.698 5 1 IJBF O=S(=O)(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)c(F)c1F 587135710 NBCOYJIXPXYVKS-UHFFFAOYSA-N 441.434 4.765 5 1 IJBF COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Cl 587054050 INZJOQTWRFBLEB-KRWDZBQOSA-N 437.283 4.914 5 1 IJBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2cccc(F)c2)c1O 587943360 YDJAGMPEWADYFT-UHFFFAOYSA-N 425.185 4.813 5 1 IJBF CN(C)CCOc1ccc2c(c1)[nH]c1c3cc4ccccc4cc3c3c(c21)C(=O)N(C)C3=O 28523868 RMCMNPCTNMIDKA-UHFFFAOYSA-N 437.499 4.794 5 1 IJBF COc1cc(N[C@H](C)CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2ncccc2c1 169327389 HEGYZLHYACHALU-FMQWLBJXSA-N 434.496 4.562 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587122127 RCHUMCMZMYRJLT-UHFFFAOYSA-N 442.151 4.676 5 1 IJBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587391747 YFQDLJKXYWKYDM-JOCHJYFZSA-N 448.431 4.771 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 587750194 HEAANCIHISNNLG-BIBXISHDSA-N 445.292 4.521 5 1 IJBF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1)C2 13454950 NIAWVABUSUNUMW-CBPXPLCBSA-N 428.916 4.600 5 1 IJBF CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(OC)cc12 253756712 PZNYHHJADWUKTE-ZRJNXXGPSA-N 447.535 4.972 5 1 IJBF C[C@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555528 GLUVYMDDFPCLKG-XMSQKQJNSA-N 427.359 4.542 5 1 IJBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1 82135415 ICPYIMATAXBKOA-BBWFWOEESA-N 425.533 4.913 5 1 IJBF COc1cc(N[C@@H](C)CCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2ncccc2c1 169327387 HEGYZLHYACHALU-FLVLSHQESA-N 434.496 4.562 5 1 IJBF CC(C)(C)OC(=O)Nc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1 653864092 YAJNWZOQAVRLHE-UHFFFAOYSA-N 430.442 4.911 5 1 IJBF N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1F 587145308 WILBHRCSJHXRRK-AWEZNQCLSA-N 436.288 4.803 5 1 IJBF COc1cc(C=O)cc([N+](=O)[O-])c1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 653866779 UVLMFVDEFGIERC-UHFFFAOYSA-N 442.642 4.978 5 1 IJBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC[C@]1(C)CCCC(C)(C)O1 1857572431 QGRRZEKCFPVMKA-DEOSSOPVSA-N 428.481 4.742 5 1 IJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3cccs3)C2)cc1 5579436 LVGBDUHSSXVCTP-SFHVURJKSA-N 443.506 4.631 5 1 IJBF Cc1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061059 ISDOQBPTKVEPKX-UHFFFAOYSA-N 433.859 4.596 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005329 TUQRFMMZRVSTEH-UHFFFAOYSA-N 432.459 4.712 5 1 IJBF C[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587127987 DMZWPTBIMCRCMV-BYPYZUCNSA-N 436.709 4.714 5 1 IJBF C[C@](O)(COC(=O)c1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801531 FSEJLIRZPRZRPN-SFHVURJKSA-N 442.777 4.813 5 1 IJBF CCOc1ccccc1[C@@](N)(c1nc2c3cccnc3c3ncccc3c2[nH]1)C(F)(F)F 587092408 MDBQUQWFWOOZOZ-JOCHJYFZSA-N 437.425 4.823 5 1 IJBF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)oc2=O)cc1 13581320 XJZDQMGPHSDCSY-UHFFFAOYSA-N 447.468 4.953 5 1 IJBF O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2O)cc([N+](=O)[O-])c1O)[C@H]1CCc2ccccc21 28608411 BQHKHXCLONFLRD-HNNXBMFYSA-N 438.367 4.633 5 1 IJBF O=c1[nH]ccc2c(Nc3c(Cl)cc([C@@H](O)C(F)F)cc3Cl)nc3ccncc3c12 103239774 SRKIVHVOPUXVOR-MRXNPFEDSA-N 437.233 4.820 5 1 IJBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2F)c1 587144127 QQLDMNDWNNINJL-UHFFFAOYSA-N 425.347 4.790 5 1 IJBF CN(C)/C=C\[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341699 ZQYHJVURHIIAAH-QKZTZVOVSA-N 448.450 4.769 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1Br 587538820 GSPPPVOQOWACSJ-OXJNMPFZSA-N 442.221 4.766 5 1 IJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 963192231 ZYHDAVZAEUIILL-PXAZEXFGSA-N 440.761 4.702 5 1 IJBF O=[N+]([O-])c1ccc2c(c1)[C@@]1(CCC2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962637734 PCKUNLFWFUIPSE-RPLLCQBOSA-N 425.532 4.922 5 1 IJBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cs1 587019476 OMMHYUGNDGRMBY-UHFFFAOYSA-N 428.861 4.816 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Br 587538019 CLQVXNBZGWHBTE-FXAWDEMLSA-N 442.221 4.766 5 1 IJBF CCN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82149848 NIAULWWYYYYKLV-SOHDHNSJSA-N 437.544 4.626 5 1 IJBF CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 2482290 WOAGTVSTUBZWGD-UHFFFAOYSA-N 443.431 4.603 5 1 IJBF O=[N+]([O-])c1ccc(-c2cc([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)on2)cc1 962692540 BUHWSPCGGMHLGS-OPAMFIHVSA-N 425.485 4.842 5 1 IJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 587512832 OVBTUGAFFCWDST-KMBIYUNPSA-N 430.504 4.944 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc([N+](=O)[O-])cc1Br 587861902 XVCBVBASTSCCRZ-UHFFFAOYSA-N 443.179 4.632 5 1 IJBF O=c1c2cc([N+](=O)[O-])ccc2n([C@H](O)/C=C/c2ccccc2)c(=S)n1Cc1ccccc1 49112463 LLPOFJPOBNBWCP-YDYPUGOESA-N 445.500 4.693 5 1 IJBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCC(=O)OCC)c1ccc(OC)c([N+](=O)[O-])c1 963256816 FUMJMXTZYJMJIU-IQGLISFBSA-N 440.540 4.847 5 1 IJBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1 82148767 KKWXTLIUEPPPSM-UHFFFAOYSA-N 445.523 4.844 5 1 IJBF O=[N+]([O-])c1ccc(CNc2nc(NCc3ccc(C(F)(F)F)cc3)nc3[nH]cnc23)cc1 89455104 WMSLGMLSXNNXKW-UHFFFAOYSA-N 443.389 4.504 5 1 IJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)nc(Cl)c2[nH]1 587055299 OGXNPQSTCVCIBW-ZDUSSCGKSA-N 442.690 4.953 5 1 IJBF Cc1cc(Br)cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 587270619 WYTFBEQUGDKJMY-UHFFFAOYSA-N 443.301 4.562 5 1 IJBF O=C(c1coc2cc([N+](=O)[O-])ccc12)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 587280282 QYFLIYOVMKHJGC-UHFFFAOYSA-N 446.440 4.764 5 1 IJBF COc1cc2cc(C(=O)[C@H]3CC[N+](C)(Cc4ccccc4)CC[C@H]3O)sc2cc1OC 36286881 WCCVUCMETCYHRK-LUOUWCQUSA-N 440.585 4.519 5 1 IJBF Cc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccc(F)cc4)cc3)n(O)c2cc1[N+](=O)[O-] 45300271 PKJBWJRARCOLMO-NYYWCZLTSA-N 432.411 4.948 5 1 IJBF NCCCCCCOc1ccc2oc3ccc(OCCCCCCN)cc3c(=O)c2c1 95595027 PCXSGILLBJCPIV-UHFFFAOYSA-N 426.557 4.742 5 1 IJBF CN(C)/C=C/[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341695 ZQYHJVURHIIAAH-GPYYXEEUSA-N 448.450 4.769 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1Br 587539103 HPBANMZCAHIJKI-FXAWDEMLSA-N 442.221 4.766 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092576 WLTPUFBFYADXHB-UHFFFAOYSA-N 433.209 4.950 5 1 IJBF CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773740 YWEFXPSKRHCYAH-GFCCVEGCSA-N 441.415 4.559 5 1 IJBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1ccc(C(F)(F)F)cc1 473118707 LEQHZQFAIVHESH-UHFFFAOYSA-N 449.385 4.555 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082313 ODHUGIHKNAONBF-UHFFFAOYSA-N 448.664 4.787 5 1 IJBF O=[N+]([O-])c1cc(-c2nnc(SCc3ccc(Br)cc3)o2)cc([N+](=O)[O-])c1 1772655335 UAXPPKSGMWFHJY-UHFFFAOYSA-N 437.231 4.608 5 1 IJBF CCCC[C@]1(CC)CS(=O)(=O)c2ccc([N+](C)(C)C)cc2[C@@H](c2ccccc2)[C@H]1O 13672986 SOEPLIXKJQGDOL-UBFVSLLYSA-N 430.634 4.750 5 1 IJBF COc1ccc([N+](=O)[O-])cc1[C@H](O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105051 MFMAKVWINBDRCQ-JOCHJYFZSA-N 426.428 4.639 5 1 IJBF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775327 NEYPQVQJPBHVFQ-LBPRGKRZSA-N 441.415 4.559 5 1 IJBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587512115 LCDYLOFEZUZVHN-NRFANRHFSA-N 449.463 4.715 5 1 IJBF O=C(O)c1cc(Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 1772603292 DQJVEDAIHSDQJN-UHFFFAOYSA-N 440.419 4.766 5 1 IJBF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cc2ccccc2c2ccccc12 13125805 UBPMENZWKPTPPE-XMMPIXPASA-N 446.503 4.761 5 3 IJBF O=C1c2ccc(O)cc2O[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)[C@@H]1c1ccc(F)cc1 587337830 RVFCBXPMPRTYTR-OFNKIYASSA-N 439.370 4.616 5 1 IJBF Cc1cc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)ccc1[N+](=O)[O-] 587652872 LVBGPMBGDYBNCI-UHFFFAOYSA-N 449.850 4.534 5 1 IJBF C[C@]12CC[C@@H]3[C@@H](Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CC[C@]53C)[C@@H]1CCC2=O 27331815 CYEFAKCCVSSKBP-PSLIKIDCSA-N 447.535 4.642 5 1 IJBF CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 84655359 GHIWYEWQUFHJNZ-HSZRJFAPSA-N 449.507 4.740 5 1 IJBF CCCCOc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587270860 SERGKDBESGANST-HNNXBMFYSA-N 433.306 4.655 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Br 587538022 CLQVXNBZGWHBTE-YLJYHZDGSA-N 442.221 4.766 5 1 IJBF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587043821 VPMRAZCGHQNNFI-FQEVSTJZSA-N 431.908 4.968 5 1 IJBF C[C@H]1[C@H]2Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3[C@@]1(c1ccccc1)CCN2C 169320466 AGQGWEFITGZVDG-IPEONRORSA-N 442.515 4.996 5 1 IJBF COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O 587451333 HFGHSDODPUDGTD-VKUOHJHSSA-N 442.467 4.928 5 1 IJBF CCOC(=O)c1cnn(-c2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1C(F)(F)F 587115278 RAAALNUMHBYZSZ-UHFFFAOYSA-N 445.357 4.519 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587752265 QHGDJEUASKKNJT-PRWKNARSSA-N 435.293 4.619 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc([N+](=O)[O-])cc3)C2)N1 587752845 SZFKKIIYNFFUCN-RWCMSOCESA-N 447.304 4.763 5 1 IJBF O=[N+]([O-])c1c(F)cc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1F 962963784 ZDMBOSSCZDDQKV-QGZVFWFLSA-N 428.357 4.633 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135544 KQPUBXHIOZOPOI-HZPDHXFCSA-N 449.511 4.683 5 1 IJBF C[N@+]12CCCC[C@H]1[C@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 254127884 COVRFRZXBPXMME-XYQUQUKTSA-N 441.595 4.856 5 1 IJBF O=C(O)c1cc2[nH]c(C3=COCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586912608 IVWRPJKKZQPUTE-UHFFFAOYSA-N 440.411 4.606 5 1 IJBF O=[N+]([O-])c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 587178567 FOVQZLKGBXNRMZ-UHFFFAOYSA-N 433.127 4.762 5 1 IJBF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2O1 587576365 OBDTZGDUBLOYDS-RDPSFJRHSA-N 433.416 4.719 5 1 IJBF O=[N+]([O-])c1ccc([C@]2(O)C[n+]3cccnc3N2C2CCCCCCCCCCC2)cc1 72111391 PYXDLVAOQGVANS-XMMPIXPASA-N 425.553 4.616 5 1 IJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587512814 OTJWMFGBBFCQIG-AREMUKBSSA-N 441.439 4.633 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)n1cc([N+](=O)[O-])cn1 587860612 ZEUWKMDTWUISOX-INIZCTEOSA-N 438.271 4.652 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 587862953 MWTWYEJUATVWPD-GFCCVEGCSA-N 435.358 4.593 5 1 IJBF O=c1cc(Cn2cc(CSc3nc4ccccc4[nH]3)nn2)c2c(ccc3ccccc32)o1 1857619779 HIRVUVZNDILFHM-UHFFFAOYSA-N 439.500 4.755 5 1 IJBF COc1cc2c(cc1CCCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125949 GOZISKHJKOSTBT-UHFFFAOYSA-N 449.463 4.513 5 1 IJBF C[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276569 LZTPFEFVBPZRTG-GFCCVEGCSA-N 442.273 4.618 5 1 IJBF CN1CCC(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cccc3Cl)s2)CC1 95576732 DSKVXMHNKGVAOI-UHFFFAOYSA-N 446.381 4.938 5 1 IJBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)N2 587030366 COEPNKVRAAXUKT-WFNNLQEBSA-N 433.490 4.737 5 1 IJBF CC(C)[C@H](N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587258632 HTPJLLLFHCWOFM-QHCPKHFHSA-N 443.459 4.501 5 1 IJBF C[N+]1(C[C@@H]2c3cc(F)ccc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209466878 LQMXQUYWTHPKGP-DHIUTWEWSA-N 441.954 4.516 5 1 IJBF Cc1c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cccc1[N+](=O)[O-] 587262850 YYJDOZQLMSTAFU-UHFFFAOYSA-N 442.884 4.901 5 1 IJBF O=[N+]([O-])c1cc2c(cc1CCc1sc(Nc3ccccc3)n[n+]1-c1ccccc1)OCO2 29063514 RKBLKTJPQJJJJX-UHFFFAOYSA-N 447.496 4.586 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587030081 ZZRUBRWKNOICLX-UHFFFAOYSA-N 431.271 4.936 5 1 IJBF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc([N+](=O)[O-])cnc2[nH]1 587086082 DFTOCOYGWAARBD-SREVYHEPSA-N 429.267 4.897 5 1 IJBF CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 96167956 HXNRFNROXIWXFK-UHFFFAOYSA-N 440.481 4.602 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587011753 CGTXDMQCXMOLCH-UHFFFAOYSA-N 444.108 4.997 5 1 IJBF Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073310 FWDCBBQIPNQRST-UHFFFAOYSA-N 425.883 4.928 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c1)[C@@H](C2)C3=O 587425231 AMKYRHIHUWIENH-DFBJGRDBSA-N 449.434 4.984 5 1 IJBF COc1cccc2cc3c(nc12)[C@@](c1ccccc1)(c1ccc(C)c([N+](=O)[O-])c1)NCC3 963046907 LQUBTILTENDSFA-AREMUKBSSA-N 425.488 4.898 5 1 IJBF O=[N+]([O-])c1cccc([C@@H]2c3ccc4ccccc4c3Oc3[nH]c(=S)n4nnnc4c32)c1 1857552142 HYAJPEMXXIRYFF-MRXNPFEDSA-N 428.433 4.529 5 1 IJBF CCCC(=O)Oc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1 27525093 KGOILRBDUYZGIH-UHFFFAOYSA-N 437.500 4.626 5 1 IJBF O=C(Nc1nc(-c2cccc(NC(=O)C3CCCC3)c2)cs1)c1ccc([N+](=O)[O-])o1 653864071 RKZGMWPNKZOLBC-UHFFFAOYSA-N 426.454 4.692 5 1 IJBF O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCOCC4)cc23)c1 71329491 BSQKWFYUHAKXEJ-UHFFFAOYSA-N 432.402 4.611 5 1 IJBF COCCNc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587261814 JRAJTQGQOOFCKQ-UHFFFAOYSA-N 430.770 4.748 5 1 IJBF COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cccc([N+](=O)[O-])c13)/C(=C\Cl)N2 587644665 KEDVYEAYJXABPD-MFOYZWKCSA-N 428.832 4.512 5 1 IJBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1ccc(C=O)c([N+](=O)[O-])c1 961750048 NQZXGAKIVBJEHT-JOCHJYFZSA-N 437.496 4.648 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135543 KQPUBXHIOZOPOI-HOTGVXAUSA-N 449.511 4.683 5 1 IJBF O=C(NCc1ccccc1)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135622 PTKPANWBOHOOAK-UHFFFAOYSA-N 445.523 4.974 5 1 IJBF COc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1-c1nc2ccc([N+](=O)[O-])cc2n1O 45285635 DEYNFJQJSUYRPK-NYYWCZLTSA-N 448.410 4.648 5 1 IJBF COC(=O)/C=C/CNC(=O)c1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2Cl)s1 1857638250 IXFIKHBITULBSK-ZZXKWVIFSA-N 447.321 4.573 5 1 IJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 587266353 ZEMBPUYDRDUMHF-NSHDSACASA-N 429.396 4.649 5 1 IJBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccccc3)cc2[nH]1 587267269 WFWAQHHRYMVNOA-ASSNKEHSSA-N 449.423 4.706 5 1 IJBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NC(c3ccccc3)c3ccccc3)cc12 653809965 DMIJFZDAGCOVSU-UHFFFAOYSA-N 436.467 4.846 5 1 IJBF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207486 XOKCLLZLYAZNKY-IEBWSBKVSA-N 436.295 4.910 5 1 IJBF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587079001 FFOIOEDNEZUQKY-LBPRGKRZSA-N 434.681 4.611 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2[N+](=O)[O-])N1 587678621 KRDNBDYSFFUASY-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF O=[N+]([O-])c1cc(F)cc2c1OCC[C@]21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643901 WXKRPVAWGVGGNO-LVXARBLLSA-N 445.494 4.507 5 1 IJBF CCCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82134328 IBFKSIWWVYAOSV-UHFFFAOYSA-N 439.903 4.847 5 1 IJBF C[C@]12CC[C@@H]3[C@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 253793041 UYNSRKBUFVSFKD-AOINAHSXSA-N 447.535 4.642 5 1 IJBF C[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276570 LZTPFEFVBPZRTG-LBPRGKRZSA-N 442.273 4.618 5 1 IJBF CN(C)/C=C\[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339213 FLAVHEXTBSQEMB-HRPBQWOBSA-N 448.450 4.769 5 1 IJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])cccc21 587469797 FVZWISVJZJRCML-RUZDIDTESA-N 429.428 4.706 5 1 IJBF Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587744782 FQEHRFCQPHVXLZ-NXVOGEQNSA-N 448.336 4.658 5 1 IJBF C[C@]12CC[C@H]3[C@@H](Cc4c5c(nn4Cc4ccc([N+](=O)[O-])cc4)C(=O)CC[C@]53C)[C@@H]1CCC2=O 27331823 CYEFAKCCVSSKBP-GJDPNALDSA-N 447.535 4.642 5 1 IJBF CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(OC)cc12 253756702 PZNYHHJADWUKTE-FSTMGOICSA-N 447.535 4.972 5 1 IJBF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587113618 QORFHFFBAIUGOD-KRWDZBQOSA-N 426.782 4.543 5 1 IJBF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1c(Cl)cccc1[N+](=O)[O-])CC2=O 587460338 LXKSZJXPAIUTQJ-JOCHJYFZSA-N 447.871 4.720 5 1 IJBF CC(C)=CC(=O)NCCc1c2c(c3nccc4c5ccccc5[nH]c1c34)NC(=O)CS2 13601812 HYPFBWXPSYPBCL-UHFFFAOYSA-N 430.533 4.538 5 1 IJBF biogenic CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587049293 GGIPIECMZFQHEG-KTKRTIGZSA-N 427.848 4.515 5 1 IJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)c(Cl)nc2[nH]1 587058058 ZYBXVULBDPDZNB-ZDUSSCGKSA-N 442.690 4.953 5 1 IJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(Cl)c2[nH]1 586949138 RAKDGDPINVDQAN-UHFFFAOYSA-N 442.884 4.901 5 1 IJBF COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1 35827391 OJCQHQZIUGPFKL-YIXHJXPBSA-N 430.420 4.509 5 1 IJBF COc1ccc([C@@]2(CCC(C)(C)[N+](=O)[O-])c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962623669 IPMCRMHWXQJGFS-NSYGIPOTSA-N 442.556 4.668 5 1 IJBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586921014 VFIKIJMEYRDRSN-UHFFFAOYSA-N 425.491 4.596 5 1 IJBF O=C(Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)Nc1ccc([N+](=O)[O-])cc1 96167973 SPRBNXTWHWNMSX-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(Br)c1 587541424 UNXUNLOZEPAVHB-YLJYHZDGSA-N 442.221 4.766 5 1 IJBF CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857773671 NXSUJTOSSDXCHY-XOBRGWDASA-N 425.481 4.791 5 1 IJBF O=C(Nc1cccc(OC2CCN(Cc3ccccc3)CC2)c1)c1ccc([N+](=O)[O-])cc1 45167133 FWURIQYVLUPHHI-UHFFFAOYSA-N 431.492 4.891 5 1 IJBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587035613 WLNUGSDALWWCNN-GFCCVEGCSA-N 439.453 4.865 5 1 IJBF COC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)n2CCc1ccc(OC)cc1 43123130 RGKBTYQEWSIENO-UHFFFAOYSA-N 431.448 4.649 5 1 IJBF O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 587161002 ITHQTRJVCXOLTJ-UHFFFAOYSA-N 430.193 4.622 5 1 IJBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)(C)C 587205238 ODVINROHTJXMIU-ZDUSSCGKSA-N 441.326 4.716 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 587676828 GDZQOZLNIAWSLW-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12 217119710 YMUQNRICCRNBQY-UHFFFAOYSA-N 428.532 4.533 5 1 IJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587267603 BHDNEOFNWAEAIH-UHFFFAOYSA-N 448.199 4.500 5 1 IJBF O=C1c2ccc(O)cc2OC2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccc(F)cc1 587342946 QVGHNSXWCFRQBD-HSZRJFAPSA-N 448.450 4.838 5 1 IJBF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2O1 587576362 OBDTZGDUBLOYDS-HYBUGGRVSA-N 433.416 4.719 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CC[N+](C)(Cc4ccccc4)CC[C@@H]3O)sc2cc1OC 58655315 WCCVUCMETCYHRK-YJIDZIMYSA-N 440.585 4.519 5 1 IJBF O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1F 587149509 HSXRXIGLZSXKIN-UHFFFAOYSA-N 434.143 4.971 5 1 IJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 587859319 DOLHAGHLRSOGLU-LLVKDONJSA-N 438.271 4.570 5 1 IJBF Cn1cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 962698007 HDBKYPDWRBSZBM-SBUREZEXSA-N 438.528 4.587 5 1 IJBF COc1ccc(C(=O)c2cn(CC[N+]3(C)CCOCC3)c3ccccc23)c2ccccc12 1857539160 CAJNFRZYYVCHLP-UHFFFAOYSA-N 429.540 4.511 5 1 IJBF COC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 587388666 FUCOQGTYMKROTA-QFIPXVFZSA-N 448.431 4.771 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Br 587538021 CLQVXNBZGWHBTE-XLIONFOSSA-N 442.221 4.766 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 587675494 BYQVRRQSRZPZDO-ZKANADHPSA-N 444.098 4.883 5 1 IJBF O=[N+]([O-])c1ccc([C@]2(C(F)(F)F)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962711575 PPDPANKVYSQJKD-HNAYVOBHSA-N 426.435 4.903 5 1 IJBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 587622063 WBXQZKZPIDPLJT-UHFFFAOYSA-N 448.664 4.929 5 1 IJBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2cc(Br)ccc2n1Cc1ccccc1 1772575192 PUPHXIVHXCTNLM-UHFFFAOYSA-N 436.265 4.783 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 587751410 MCYJEVIJXJISRN-YUNKPMOVSA-N 430.277 4.911 5 1 IJBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 82135106 DWQLHUBEXDKADZ-ZWKOTPCHSA-N 439.560 4.795 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82149466 VCAHIURORKLBRS-IYBDPMFKSA-N 449.511 4.683 5 1 IJBF O=c1c2ccccc2n(Cc2cn(Cc3ccccc3)nn2)c2ccc(Br)cc12 299859260 FQXJEUSGYRUXNF-UHFFFAOYSA-N 445.320 4.605 5 1 IJBF CC[N+]1(C[C@@H]2c3ccccc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1 209488321 ZOEOHYIBEYMINZ-DNQXCXABSA-N 437.991 4.767 5 1 IJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)c(F)c(F)c2[nH]1 587054329 JTOXEVFRMWNCBS-OAHLLOKOSA-N 426.782 4.669 5 1 IJBF C[C@@]12CC[C@H]3[C@@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@]3(C)CCC5=O)[C@@H]1CCC2=O 27327165 UYNSRKBUFVSFKD-QGENRFSVSA-N 447.535 4.642 5 1 IJBF C[C@@]12CCC(=O)c3nn(Cc4ccc([N+](=O)[O-])cc4)c(c31)C[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088087 CYEFAKCCVSSKBP-FHMNWOSBSA-N 447.535 4.642 5 1 IJBF CCCCNc1ncc(C(=O)N2C[C@@H](CC)CC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148593 GFQGLZBVQCQJMX-IRXDYDNUSA-N 425.533 4.915 5 1 IJBF CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2cccc([N+](=O)[O-])c2c1CCCC1OCCO1 587648502 FZDCXZFYCYFIOR-GOSISDBHSA-N 445.516 4.844 5 1 IJBF Cn1c(Br)c(C[N+](C)(C)[O-])c2cc(Br)c(Br)cc21 14769646 HAYGVUYARZQPKP-UHFFFAOYSA-N 440.961 4.540 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(F)c(C(=O)O)c3)cc1[N+](=O)[O-])O2 587383400 ZVWXYAAHXGGNRU-NRFANRHFSA-N 436.395 4.696 5 1 IJBF C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545016 FZABVTOPRCQFBZ-DENIHFKCSA-N 425.824 4.917 5 1 IJBF COc1ccc(-n2cc(CN3c4ccccc4Sc4ccccc43)nn2)c([N+](=O)[O-])c1 1857563713 CDTACVJCPHJKOJ-UHFFFAOYSA-N 431.477 4.987 5 1 IJBF COC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)cc1Nc1cc(OC)c(OC)c(OC)c1 1857772828 IYTCKRRBWGAMEO-UHFFFAOYSA-N 444.465 4.879 5 1 IJBF CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 84713806 SJAIVGYRWIRMMF-MRXNPFEDSA-N 428.794 4.904 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)cc(Br)c2[nH]1 587262844 IIYWYISHLFHQJW-LLVKDONJSA-N 448.273 4.893 5 1 IJBF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1[N+](=O)[O-] 587388475 CQHVEFZRDSNZRB-JOCHJYFZSA-N 432.432 4.646 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O 587451335 HFGHSDODPUDGTD-XLDCRYFJSA-N 442.467 4.928 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1 587542141 XGMUCWYZBUTIIG-YLJYHZDGSA-N 442.221 4.766 5 1 IJBF O=S(=O)(c1ccccc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 1860788 GWJFVXRSAPKLCU-UHFFFAOYSA-N 438.306 4.737 5 1 IJBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1ccc(C=O)c([N+](=O)[O-])c1 961750053 NQZXGAKIVBJEHT-QFIPXVFZSA-N 437.496 4.648 5 1 IJBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82134856 VAXQKKXIUDCNDC-VGOFRKELSA-N 445.523 4.972 5 1 IJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587001971 CKCCTVYRQDXZHN-UHFFFAOYSA-N 437.051 4.539 5 1 IJBF Cc1ccc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2Cl)cc1[N+](=O)[O-] 587368172 CUWWXVRAGOKTOB-UHFFFAOYSA-N 438.827 4.552 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2[N+](=O)[O-])N1 587679060 PXOKAQKQXHPSPV-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12 66102252 HWKCWNYUIWPTIV-UHFFFAOYSA-N 438.413 4.614 5 1 IJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2ccccc2[N+](=O)[O-])N2CCC1CC2 587472945 OROYIWMILFLUNM-ZDGAQAAHSA-N 434.492 4.724 5 1 IJBF Cc1nn(Cc2ccc([C@@H]3c4ccsc4CCN3Cc3cccnc3)o2)c(C)c1[N+](=O)[O-] 963003840 DQRIUCKUCHNIOC-QHCPKHFHSA-N 449.536 4.654 5 1 IJBF O=[N+]([O-])c1cn(CCCOCc2c(-c3ccccc3)nc3sc4ccccc4n23)cn1 1857751301 SXYFGPIVDOWRHT-UHFFFAOYSA-N 433.493 4.928 5 1 IJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 587265416 DJHNEDFNPJJLOQ-ZETCQYMHSA-N 440.641 4.968 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1Br 587538823 GSPPPVOQOWACSJ-OXQOHEQNSA-N 442.221 4.766 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 587574724 GYAILKWSJCIJOQ-ZJSXRUAMSA-N 428.400 4.794 5 1 IJBF COc1ccccc1NC(=O)c1cc(NC(C)=O)ccc1Sc1ccc([N+](=O)[O-])cc1 1772642096 RAUDNXJUHSMSJV-UHFFFAOYSA-N 437.477 4.965 5 1 IJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(cnc5ccccc54)[nH]3)cc2)nc1C(F)(F)F 587117967 ICLIXONRJVOAQK-UHFFFAOYSA-N 438.369 4.950 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2Br)N1 587682451 ZAJOSCAOKNRDMV-ZKANADHPSA-N 444.098 4.883 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 587746884 LRVHALDGEYGZTD-ODXCJYRJSA-N 430.277 4.911 5 1 IJBF CCCCc1ncc(/C=C(\Cc2cccs2)c2nnn[nH]2)n1Cc1ccccc1[N+](=O)[O-] 3792240 ALAJCCWZAFRFBY-SFQUDFHCSA-N 449.540 4.540 5 1 IJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 473133390 ZHWFKHRUGHPKRA-OAHLLOKOSA-N 433.386 4.703 5 1 IJBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(Cc1cc(C)on1)CC3 95560079 LSDGAFIPHHQYJZ-UHFFFAOYSA-N 448.519 4.882 5 1 IJBF Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587578703 WZGSSMLDWFNKCT-DXRYJVABSA-N 446.459 4.541 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 587680174 SRCCKDZRTYWWJA-VPTHRUTESA-N 444.098 4.883 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550009 VBFGKWQHPIYMJX-XMSQKQJNSA-N 441.823 4.839 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2Br)N1 587676913 ISQZYXXICBLZEZ-ZKANADHPSA-N 444.098 4.883 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 587709402 MDUARGNLPHZQKV-ABKXIKBNSA-N 433.199 4.837 5 1 IJBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCC(C)C)cc1 774493 WBSKBLLWXFUEMX-UHFFFAOYSA-N 429.860 4.965 5 1 IJBF CCOC(C)(C)CCc1c(O)cc2oc3c(O)ccc(CCC(C)(C)O)c3c(=O)c2c1O 14781089 CQWFDJXIXDPPCM-UHFFFAOYSA-N 444.524 4.514 5 1 IJBF biogenic,in-vitro O=C(Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)Nc1ccccc1[N+](=O)[O-] 96167975 KMEIARWMMZBWEH-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF O=C(c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 82148932 LSXQAPYEIUKLHL-UHFFFAOYSA-N 437.887 4.553 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(C)c2[nH]1 587263666 NLGOXIPPYFBDOE-NSHDSACASA-N 448.273 4.893 5 1 IJBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587748080 UGJUAJXXVZZYAR-YBTHPKLGSA-N 437.309 4.865 5 1 IJBF Cc1c(Cc2cccc(Br)c2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 40394506 KRCFRMHCXHUCIJ-UHFFFAOYSA-N 446.326 4.632 5 1 IJBF O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)n2-c2ccccc2)cc1 72118877 MRXIRFKPPFXLDG-UHFFFAOYSA-N 446.488 4.906 5 1 IJBF CCN(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1 82149963 LPICOBYHDVZDJQ-UHFFFAOYSA-N 431.496 4.536 5 1 IJBF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587079000 FFOIOEDNEZUQKY-GFCCVEGCSA-N 434.681 4.611 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2Br)N1 587680187 SVINXQARANXYDN-ZKANADHPSA-N 444.098 4.883 5 1 IJBF O=C(O)c1ccc(-n2cc(CNc3ccc(F)c([N+](=O)[O-])c3)c(-c3ccccc3)n2)cc1 1772633376 WCURMGFIHJHTCA-UHFFFAOYSA-N 432.411 4.897 5 1 IJBF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc([N+](=O)[O-])cc1 587388868 HBMCXHFVZAMPIY-QFIPXVFZSA-N 434.448 4.780 5 1 IJBF COC(=O)c1ccccc1Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587390823 RPMJRWNLILHCPD-QFIPXVFZSA-N 448.431 4.771 5 1 IJBF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134645 YWHCZAMJORPEQW-UTKZUKDTSA-N 437.544 4.597 5 1 IJBF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1 587139662 OHUXUSYKGVGYKG-UHFFFAOYSA-N 442.628 4.870 5 1 IJBF CC(C)[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C(=O)OC(C)(C)C 587197181 ACRCQSGBICLPJL-CYBMUJFWSA-N 427.299 4.798 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)cc(Br)c2[nH]1 587262845 IIYWYISHLFHQJW-NSHDSACASA-N 448.273 4.893 5 1 IJBF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1[N+](=O)[O-] 587434034 PDXRWFGRACILKS-DVECYGJZSA-N 445.427 4.546 5 1 IJBF O=C1C[C@H](c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 587500524 PMHIELREJIVRTP-LJQANCHMSA-N 427.844 4.671 5 1 IJBF Cc1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587578704 WZGSSMLDWFNKCT-IWMMPCOXSA-N 446.459 4.541 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 587709403 MDUARGNLPHZQKV-FVMDXXJSSA-N 433.199 4.837 5 1 IJBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Br)cc1[N+](=O)[O-] 587861805 VUQGQPHDCNBFBK-UHFFFAOYSA-N 443.179 4.632 5 1 IJBF COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587336536 NPXYTOXKTUEIBO-UPVQGACJSA-N 437.423 4.808 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 587681492 XOPCADUEMWVQTA-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587015704 IJLSZPYOLLXARJ-UHFFFAOYSA-N 443.282 4.959 5 1 IJBF CC(C)[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OC(C)(C)C 587197911 QBELOWORQWGANR-CQSZACIVSA-N 427.299 4.798 5 1 IJBF O=C(N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)O)OCc1ccccc1 587202686 KOOOIWBUSHUOQH-NRFANRHFSA-N 439.471 4.791 5 1 IJBF Cc1c(O)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)nc1Cc1c(Cl)cccc1Cl 653743784 SMIKEPVXNWPXRL-UHFFFAOYSA-N 433.295 4.933 5 1 IJBF O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2O)cc([N+](=O)[O-])c1O)[C@@H]1CCc2ccccc21 28608410 BQHKHXCLONFLRD-OAHLLOKOSA-N 438.367 4.633 5 1 IJBF COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104152 DSIWFPDKJUBSPH-UHFFFAOYSA-N 439.427 4.544 5 1 IJBF Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 587660967 JUKUUDZOSUAKOT-HNNXBMFYSA-N 447.422 4.527 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 587751762 OOFQIJJFXNKLDO-YBTHPKLGSA-N 435.293 4.835 5 1 IJBF O=[N+]([O-])c1cccc([C@H]2N=C(N3CCOCC3)Nc3c2sc2ccc(Cl)cc32)c1 1857591075 HSSXKEKVZNMFQZ-QGZVFWFLSA-N 428.901 4.666 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587265281 VOERDQBCTKHRKG-SECBINFHSA-N 441.337 4.980 5 1 IJBF C[C@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 68248626 SKMAQZSSDQYMHA-LJQANCHMSA-N 435.358 4.587 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 587754282 XWPHPOSOLODDKB-GIPWTMENSA-N 435.293 4.835 5 1 IJBF Oc1ccc(Br)c2nc3cc(Br)c(Br)cc3nc12 653862860 PZHYCMDLRBBPOB-UHFFFAOYSA-N 432.897 4.776 5 1 IJBF COc1ccc2c(CN3CCN(c4ccc(O)cc4)CC3)cc3cc4c(cc3c2c1)OCO4 28706246 WKEPHTPTBFHLRU-UHFFFAOYSA-N 442.515 4.758 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)c(C)c2[nH]1 587266278 ZUWXMRBFHDIUOV-LLVKDONJSA-N 448.273 4.893 5 1 IJBF Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3c([N+](=O)[O-])cccc3s2)cc1 64564350 AGTKBCFKDXHRMZ-UHFFFAOYSA-N 429.465 4.709 5 1 IJBF Cc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)c(C)c1 103247809 CZUUSCYIOXJCOL-UHFFFAOYSA-N 448.574 4.908 5 1 IJBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587147658 WYGAXMCLEMHBEJ-UHFFFAOYSA-N 425.347 4.790 5 1 IJBF C[C@H]1[C@H]2Cc3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3[C@@]1(c1ccccc1)CCN2C 169320459 PMEGYUXSKORVSK-IPEONRORSA-N 442.515 4.996 5 1 IJBF Cc1cc(F)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 586949161 SBHWCFKFKNSPBP-UHFFFAOYSA-N 440.456 4.695 5 1 IJBF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C1CCCC1 587224818 HOCJDLQOLGMXTD-ZDUSSCGKSA-N 439.310 4.990 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 587261966 FMHIRUQVMFTHAM-MRVPVSSYSA-N 425.228 4.524 5 1 IJBF CCCCCc1nc(-c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82225294 LKSZWJOJIAHZOG-UHFFFAOYSA-N 425.489 4.806 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 587557171 QQFWAMOJLSOKKH-XLIONFOSSA-N 429.331 4.605 5 1 IJBF C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C 105176154 UIDNVXAMTSUQAS-IAECCPNBSA-N 449.555 4.770 5 1 IJBF CSc1sc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920281 ONCFGQQBHXHNAB-UHFFFAOYSA-N 449.938 4.896 5 1 IJBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCC(=O)OCC)c1ccc(OC)c([N+](=O)[O-])c1 963256813 FUMJMXTZYJMJIU-AVRWGWEMSA-N 440.540 4.847 5 1 IJBF C=COCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCOCC1 26577950 ZWSIHSAJTXSBNR-UHFFFAOYSA-O 436.550 4.658 5 1 IJBF Cc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143814 ARBYONJYMDNRHD-UHFFFAOYSA-N 436.355 4.859 5 1 IJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587268395 VMILLONTLXUCHO-UHFFFAOYSA-N 448.199 4.500 5 1 IJBF O=C1NC(=O)c2c1c1c3ccc(CN4CCCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 14945588 FPGWTAMFFQEERZ-UHFFFAOYSA-N 448.526 4.855 5 1 IJBF O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1F 45290723 UZLUJJZWKXTBGC-XCVCLJGOSA-N 436.374 4.779 5 1 IJBF O=C(Nc1sc2c(c1-c1nc3c([N+](=O)[O-])cncc3[nH]1)CCC2)c1ccccc1Cl 587030280 BCISVYICFDITET-UHFFFAOYSA-N 439.884 4.989 5 1 IJBF COc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1F 587118400 MYEQPGMEWPXXIS-UHFFFAOYSA-N 435.337 4.549 5 1 IJBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(/C)CCCC(C)(C)O 238740602 VQIHPPHJAYRDMW-QPEQYQDCSA-N 428.481 4.502 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 587675493 BYQVRRQSRZPZDO-VPTHRUTESA-N 444.098 4.883 5 1 IJBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148777 OAPQYUPXHICJCU-ZWKOTPCHSA-N 437.544 4.693 5 1 IJBF CC[C@H](C)CCC[C@H](C(=O)OC)C(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356789028 CUIFJEVBMVOGGS-YJBOKZPZSA-N 436.508 4.758 5 1 IJBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@H]1OC(=O)O[C@H]1C(C)(C)O2 26478026 IGTJOTFXMOQZNL-DHIUTWEWSA-N 431.444 4.601 5 1 IJBF CCCCn1c(=O)c2ccc(O)cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 169337118 FTIWKFVIWFZGBL-UHFFFAOYSA-N 433.348 4.973 5 1 IJBF O=C(O)c1cc(Br)cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587109856 OLMKQJQZZIDQCE-UHFFFAOYSA-N 444.163 4.541 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Br)N1 587675446 BOPBQNCRXNGIIA-ZKANADHPSA-N 444.098 4.883 5 1 IJBF COc1ccccc1-n1c(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n[nH]c1=S 49784324 ZLCQWPGXXYMHNQ-UHFFFAOYSA-N 426.483 4.714 5 1 IJBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135238 BXGNLSTVDHUNOE-UHFFFAOYSA-N 445.523 4.844 5 1 IJBF C[C@]12CC[C@@H]3[C@@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@@]3(C)CCC5=O)[C@@H]1CCC2=O 169372195 UYNSRKBUFVSFKD-PSLIKIDCSA-N 447.535 4.642 5 1 IJBF Cc1cc(C)cc(-c2c(OCC[C@H]3CCN3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 169716129 FBGWPOPRTBLJLS-OAHLLOKOSA-N 427.888 4.504 5 1 IJBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587122788 YCGCWLLMEHBDFP-UHFFFAOYSA-N 433.302 4.802 5 1 IJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587270460 YQIPLMDIWCEUEZ-UHFFFAOYSA-N 444.163 4.644 5 1 IJBF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC2=O 587462915 SMESGNMLEKATLP-OAQYLSRUSA-N 432.860 4.659 5 1 IJBF O=C(c1cc2cc([N+](=O)[O-])ccc2o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660628 IDHSJIOHLPWWFX-UHFFFAOYSA-N 429.363 4.546 5 1 IJBF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134641 YWHCZAMJORPEQW-UWJYYQICSA-N 437.544 4.597 5 1 IJBF CC1CCN(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135574 NASGMNFCHGTMQK-UHFFFAOYSA-N 437.544 4.916 5 1 IJBF Cc1cc(N(C)Cc2nc3cc(Cl)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587136328 DFBZFSSPECFIMF-UHFFFAOYSA-N 427.661 4.971 5 1 IJBF O=C(OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1)c1ccc(Br)cc1 1857556793 YCYOSYNTFMHSRD-UHFFFAOYSA-N 447.285 4.856 5 1 IJBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587268406 WIDKSUWJLCZHRE-UHFFFAOYSA-N 432.200 4.621 5 1 IJBF COc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1[N+](=O)[O-] 587752005 PNLWGEXBQAAALN-NIVTXAMTSA-N 434.265 4.610 5 1 IJBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccccc1C(F)(F)F 1857614425 PDLZFPQGRVOFGP-UHFFFAOYSA-N 448.449 4.533 5 1 IJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@@H](c3ccccc3)C2)cc1 31905896 LMCUMVWDQKNIAM-OAQYLSRUSA-N 437.477 4.570 5 1 IJBF O=Cc1ccc(OCc2occc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586900876 NXOFGGHYLUAJPL-UHFFFAOYSA-N 442.225 4.885 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 587538472 FELXULQKIJYKGE-FXAWDEMLSA-N 442.221 4.766 5 1 IJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1 100391892 TWMYBOAPLPGDEW-SMXKYELJSA-N 426.560 4.989 5 1 IJBF CC(C)COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587270047 ITCCZERLBKCJEP-HNNXBMFYSA-N 433.306 4.511 5 1 IJBF C[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275776 GILKTHRLQIZBDY-NSHDSACASA-N 444.373 4.548 5 1 IJBF CN(C)/C=C\[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339208 FLAVHEXTBSQEMB-BNAJAPCBSA-N 448.450 4.769 5 1 IJBF O=C1C[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)Oc2c1ccc1c2CCCC1 587500905 YUTPYNZVNYWXGD-NRFANRHFSA-N 444.281 4.879 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2[N+](=O)[O-])N1 587675466 BSGDUBAYJSALTG-ZKANADHPSA-N 444.098 4.883 5 1 IJBF O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1)c1ccc(Cl)cc1 1857539817 FZBMJUHSCNEIJC-UHFFFAOYSA-N 435.827 4.893 5 1 IJBF O=C(O)c1cc(Br)cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587269414 CIIYQTVLPLFKML-UHFFFAOYSA-N 439.225 4.661 5 1 IJBF C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545018 FZABVTOPRCQFBZ-SIKLNZKXSA-N 425.824 4.917 5 1 IJBF COc1ccc([N+](=O)[O-])cc1CN1CCC(=O)[C@@H](C(c2ccccc2)c2ccccc2)C1 72116291 PRDDKGHYSSEILD-QHCPKHFHSA-N 430.504 4.827 5 1 IJBF O=C(Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)Nc1cccc([N+](=O)[O-])c1 96167971 YUMHSQURNUHBBS-UHFFFAOYSA-N 446.872 4.693 5 1 IJBF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CC[N+](C)(C)C)c1=O 29208582 SHGDHMYPHJUVBZ-UHFFFAOYSA-N 445.370 4.793 5 1 IJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(ccc5ncccc54)[nH]3)cc2)nc1C(F)(F)F 587117196 AZAZTFITJXAZHC-UHFFFAOYSA-N 438.369 4.950 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Br)N1 587675444 BOPBQNCRXNGIIA-PWJLMRLQSA-N 444.098 4.883 5 1 IJBF CCC[C@@H](Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1 5648851 DQMXSNBQHYSHQS-VWLOTQADSA-N 428.661 4.983 5 1 IJBF endogenous,in-man CC(C)CN(CC(C)C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135964 YVWNTOUKYQQZAT-UHFFFAOYSA-N 441.576 4.898 5 1 IJBF Cc1ccc(CCNc2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82214863 VRBBHQCIBMJKCX-UHFFFAOYSA-N 445.523 4.641 5 1 IJBF COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587434079 QTHYTHLIVPFOGI-NLFFAJNJSA-N 446.459 4.713 5 1 IJBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1c(Cl)ccc(F)c1Cl 587646311 NRIJIFPQJSFLDG-UHFFFAOYSA-N 425.199 4.930 5 1 IJBF CN1CCN(c2cnc3cc(NCc4cccc([N+](=O)[O-])c4)cc(C(F)(F)F)c3c2)CC1 71316618 BVXAEKLXJDFTEL-UHFFFAOYSA-N 445.445 4.526 5 1 IJBF Cc1ccc(CNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135172 ZYLYULXIXHXWLE-UHFFFAOYSA-N 449.511 4.970 5 1 IJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(F)c(F)cc4[nH]3)cc2)nc1C(F)(F)F 587118496 NZKIMAXVRYHHAR-UHFFFAOYSA-N 441.291 4.819 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 587707753 WPFCLBAMEHSWMT-JDNHERCYSA-N 433.199 4.837 5 1 IJBF COc1ccc2[nH]c3c(C(=O)NCCN4CCCC4)cc4c5ccccc5[nH]c4c3c2c1 1857559762 SZGROVPTKWQTOK-UHFFFAOYSA-N 426.520 4.790 5 1 IJBF Oc1c2ccccc2c(O)c2c(=NCCN3CCCC3)cc3oc4ccccc4nc-3c12 2356861717 UMIFHZBIZHXSAM-UHFFFAOYSA-N 425.488 4.647 5 1 IJBF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207484 XOKCLLZLYAZNKY-MJGOQNOKSA-N 436.295 4.910 5 1 IJBF O=C1c2cccc(Cl)c2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 142324827 HZBIZKDNFXQZNN-OAQYLSRUSA-N 429.259 4.751 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 587753338 VCZMHZDSPYKLFR-BIBXISHDSA-N 445.292 4.521 5 1 IJBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3cc(Cl)ccc3c2=O)cc1 58580919 YQEZAHMBNWQPGT-NYYWCZLTSA-N 447.834 4.816 5 1 IJBF CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCc1ccccc1 82192315 WZZLLYCBKMDJNC-SFHVURJKSA-N 442.566 4.568 5 1 IJBF CC(C)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774878 LJQXQCCCKLANNC-UHFFFAOYSA-N 443.843 4.685 5 1 IJBF O=[N+]([O-])c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@H]2Cn2ccnc2)c(C(F)(F)F)c1 40897611 MTJUBCJNVJWLHX-HOTGVXAUSA-N 449.433 4.571 5 1 IJBF CCOC(=O)c1c2c3ccc(S[C@@H](C)[C@@]4(C)CSCO4)c4cccc(c-2nc1=O)c43 71294686 IBCFLQFWCYTALG-DAOPMYJZSA-N 439.558 4.866 5 1 IJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 587270973 YRBIUWPWHPJQEB-UHFFFAOYSA-N 440.213 4.871 5 1 IJBF C[C@@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341693 ZQRDPDZAODFWOM-UNMCSNQZSA-N 438.367 4.622 5 1 IJBF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c([N+](=O)[O-])cc(Br)cc31)CC2=O 587457545 JYCRSZOUOYEJSN-FQEVSTJZSA-N 448.269 4.659 5 1 IJBF O=C(Cn1cc(COC(=O)c2c3ccccc3cc3ccccc23)nn1)c1ccc(O)cc1 61924251 SBZSKKIKXZBLGY-UHFFFAOYSA-N 437.455 4.530 5 3 IJBF O=C1c2cccc(Cl)c2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 142324617 HZBIZKDNFXQZNN-NRFANRHFSA-N 429.259 4.751 5 1 IJBF COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[N+](C)(C)C)C(=O)[C@@H]2C)cc1 13450786 AAHOTZXGAGTDRL-VQIMIIECSA-N 435.510 4.729 5 1 IJBF FC(F)(F)c1ccn(Cc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)no2)n1 587118272 KYSWOANKYYOCAW-UHFFFAOYSA-N 435.369 4.578 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 587751760 OOFQIJJFXNKLDO-PRWKNARSSA-N 435.293 4.835 5 1 IJBF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135360 QEWDJQNQIIVVNU-UHFFFAOYSA-N 445.523 4.623 5 1 IJBF CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 82214918 ZBTIUNWZNQJAPN-KRWDZBQOSA-N 433.512 4.925 5 1 IJBF O=[N+]([O-])c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1[N+](=O)[O-] 586999760 BKLRGVRMAOOCOD-UHFFFAOYSA-N 443.213 4.874 5 1 IJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)c(Cl)nc2[nH]1 587058057 ZYBXVULBDPDZNB-CYBMUJFWSA-N 442.690 4.953 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Br)N1 587675443 BOPBQNCRXNGIIA-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](COC(=O)c1ccccc1)c1ccccc1)C2 100055077 QCUZZRKXNHSZNN-BODDSPMOSA-N 436.572 4.719 5 1 IJBF world CC[C@@H](C)CCC[C@H](C(=O)OC)C(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356789027 CUIFJEVBMVOGGS-QAPCUYQASA-N 436.508 4.758 5 1 IJBF COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)CCN(C(C)C)C3 95576281 SEDLOEBWIVVEHX-UHFFFAOYSA-N 425.525 4.803 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC 253694452 ABNOJWGKGYSFSX-VDABOFBKSA-N 432.606 4.917 5 1 IJBF Cc1cc2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)[nH]c2cc1[N+](=O)[O-] 586947529 QUSIUZQSGFLDHG-UHFFFAOYSA-N 436.493 4.864 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1Br 587538825 GSPPPVOQOWACSJ-UZLBHIALSA-N 442.221 4.766 5 1 IJBF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2O1 587576360 OBDTZGDUBLOYDS-GBXCKJPGSA-N 433.416 4.719 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 587675483 BWTUJEUYZYONJL-BCTVWOGZSA-N 444.098 4.883 5 1 IJBF COCCOc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587266524 ZSBMBTVOQVWFBV-UHFFFAOYSA-N 426.654 4.579 5 1 IJBF COc1cc2cc(C(=O)[C@@H]3CCC[N+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC 28463451 ABNOJWGKGYSFSX-VZUFCGGYSA-N 432.606 4.917 5 1 IJBF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)s1 587023706 USHVGJCFCLNCOA-UHFFFAOYSA-N 440.279 4.704 5 1 IJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)c(Cl)cnc2[nH]1 587057455 WWNRRUCHTXSXIM-ZDUSSCGKSA-N 442.690 4.953 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587264813 TWRZNDICMZVDRW-QMMMGPOBSA-N 425.775 4.754 5 1 IJBF CSc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1 138508974 AGPHAHMFQBJNBN-VXKWHMMOSA-N 431.561 4.733 5 1 IJBF COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2n(C)c2ccc(Cl)cc12 378063498 YZZWPVDJUYSJKZ-UHFFFAOYSA-N 441.940 4.597 5 1 IJBF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4207483 XOKCLLZLYAZNKY-HKUYNNGSSA-N 436.295 4.910 5 1 IJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O 587431807 GVNNVKBWWMWNRX-CPJSRVTESA-N 447.443 4.680 5 1 IJBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCC 4213811 ICPTYUDFSFPTQL-NHCUHLMSSA-N 435.521 4.542 5 1 IJBF C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c3c(Br)cccc23)c1O 169727137 BTBRAURMAUKXDM-BGYRXZFFSA-N 445.269 4.967 5 1 IJBF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc([N+](=O)[O-])c4[nH]3)nc2n1 587114843 JYOCDVPRRVXYCL-UHFFFAOYSA-N 436.419 4.937 5 1 IJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135548 WXUWIEBLPSVSEB-CALCHBBNSA-N 437.544 4.915 5 1 IJBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126990 JOJUUKFMSFVWCH-UHFFFAOYSA-N 442.151 4.676 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 587754287 XWPHPOSOLODDKB-YBTHPKLGSA-N 435.293 4.835 5 1 IJBF O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc([N+](=O)[O-])c2)CC1 45186957 SADLAIJZCNTRQA-UHFFFAOYSA-N 437.327 4.935 5 1 IJBF CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc([N+](=O)[O-])c1 82135884 XVMNGETYNQOTAP-KRWDZBQOSA-N 433.512 4.543 5 1 IJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587268753 CZYFKAGJLJKBGD-UHFFFAOYSA-N 444.163 4.644 5 1 IJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587270395 XBIKTBXWQUVKHZ-UHFFFAOYSA-N 433.264 4.900 5 1 IJBF CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 96167958 MYVQLPLMGNSYIG-UHFFFAOYSA-N 440.481 4.602 5 1 IJBF C[C@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 105175412 COCJHTKATGDHCW-NVGWVTIJSA-N 449.555 4.674 5 1 IJBF CC1=C(Cn2c3ccc(Br)c(=O)c-3nc3ccccc32)CC[C@](C)(CO)C1 2356799729 UUBGELFBAPMHPG-QFIPXVFZSA-N 427.342 4.763 5 1 IJBF COc1cc(COC(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc(OC)c1OC 84670457 APSJFDMJHQKYEI-UHFFFAOYSA-N 447.827 4.891 5 1 IJBF O=[N+]([O-])c1ccc([C@@]2(C(F)(F)F)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962711577 PPDPANKVYSQJKD-KXBFYZLASA-N 426.435 4.903 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 587754284 XWPHPOSOLODDKB-PRWKNARSSA-N 435.293 4.835 5 1 IJBF COCCNc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587261418 BHARZATVIWYFBB-UHFFFAOYSA-N 425.670 4.612 5 1 IJBF COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344654 XJQZHDFZHKKSLF-URXFXBBRSA-N 435.407 4.649 5 1 IJBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587391748 YFQDLJKXYWKYDM-QFIPXVFZSA-N 448.431 4.771 5 1 IJBF Cc1ccc2oc3cc(=NCCN4CCCC4)c4c(O)c5ccccc5c(O)c4c-3nc2c1 2356826150 HHZJLXSEPNTNNV-UHFFFAOYSA-N 439.515 4.955 5 1 IJBF CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(OC)cc12 26639962 PZNYHHJADWUKTE-XBGJBJTKSA-N 447.535 4.972 5 1 IJBF CCN(CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])c(Nc2ccc3ncsc3c2)n1 64527563 RLLGKIGDNTVCEP-CQSZACIVSA-N 429.550 4.661 5 1 IJBF CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 653767629 LPTRJFNBKZJPRA-GOSISDBHSA-N 437.540 4.774 5 1 IJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1 261171776 TWMYBOAPLPGDEW-VNWDASSNSA-N 426.560 4.989 5 1 IJBF CCOc1ccccc1[C@](N)(c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(F)(F)F 587093568 UQGMQPDUGLFBNK-QFIPXVFZSA-N 437.425 4.823 5 1 IJBF Nc1ccc(-c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)cc1N 587110257 XUNNNTJPYZYSHA-UHFFFAOYSA-N 427.386 4.912 5 1 IJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(C)c2[nH]1 587263665 NLGOXIPPYFBDOE-LLVKDONJSA-N 448.273 4.893 5 1 IJBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)N1 962947480 NNZRKXYEEDNUET-VFNWGFHPSA-N 433.537 4.975 5 1 IJBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82136099 SWZBYLNKGANKSW-UHFFFAOYSA-N 445.523 4.704 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1[N+](=O)[O-] 587538861 GXYNLQMLVHIVGE-XLIONFOSSA-N 442.221 4.766 5 1 IJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 72123338 ASQWNKXZAAWYPS-IBGZPJMESA-N 447.413 4.888 5 1 IJBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577871 UIHBCYVSCDJNAK-QPPBQGQZSA-N 433.416 4.502 5 1 IJBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150248 FWRHQGCCGHYTBZ-UHFFFAOYSA-N 445.523 4.704 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 587747386 NJNOWGMIGIJXPB-MPBGBICISA-N 430.277 4.911 5 1 IJBF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586974588 VSMQMHBDTHXLCR-LJQANCHMSA-N 427.533 4.770 5 1 IJBF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1[N+](=O)[O-] 587388476 CQHVEFZRDSNZRB-QFIPXVFZSA-N 432.432 4.646 5 1 IJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1[N+](=O)[O-] 587573068 AZYWOVFYYYJJOI-XUZZJYLKSA-N 428.400 4.794 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 587753340 VCZMHZDSPYKLFR-GIPWTMENSA-N 445.292 4.521 5 1 IJBF C[C@]12CCC(=O)c3c1c(nn3Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088052 UYNSRKBUFVSFKD-BUIQJFRMSA-N 447.535 4.642 5 1 IJBF O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2[N+](=O)[O-])CCC1 13534176 OIGWYJYADHFKTI-UHFFFAOYSA-N 436.342 4.664 5 1 IJBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587267299 IEGLZFDJMTYZNP-LBPRGKRZSA-N 436.310 4.773 5 1 IJBF C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545017 FZABVTOPRCQFBZ-KNQAVFIVSA-N 425.824 4.917 5 1 IJBF C[C@]12CC[C@@H]3[C@H](Cc4nn(Cc5ccc([N+](=O)[O-])cc5)c5c4[C@]3(C)CCC5=O)[C@H]1CCC2=O 253793052 UYNSRKBUFVSFKD-HQVLYOBFSA-N 447.535 4.642 5 1 IJBF CCCc1nc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)nn1-c1ccccc1F 587155362 FOPFOKDQSGFLNC-UHFFFAOYSA-N 445.252 4.573 5 1 IJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 587751759 OOFQIJJFXNKLDO-GIPWTMENSA-N 435.293 4.835 5 1 IJBF COc1ccc2c(c1OC)C[N+]1(Cc3ccccc3)CCc3cc4c(cc3[C@@H]1C2)OCO4 43523618 ZTCXXLUNOLOKTQ-UHFKCPIBSA-N 430.524 4.803 5 1 IJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587053768 GSGUDEQTYIFFOM-AWEZNQCLSA-N 444.772 4.808 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 587675917 BLCZKBSPEHXTAT-ZKANADHPSA-N 444.098 4.883 5 1 IJBF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2482168 UGCIWIAIDFNQGI-UHFFFAOYSA-N 436.251 4.600 5 1 IJBF CN(C)CCC(=O)n1c2ccccc2sc2ccc(Cl)cc2n1C(=O)CCN(C)C 139718425 POZAFCASJJUQGZ-UHFFFAOYSA-N 447.004 4.619 5 1 IJBF Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@H]2c3ccsc3CCN2Cc2cccnc2)n1 962995396 GBULRSWKDPYSBM-QFIPXVFZSA-N 447.520 4.725 5 1 IJBF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc([N+](=O)[O-])c21 72105947 FWQBBXOFBNBHBD-UHFFFAOYSA-N 437.540 4.799 5 1 IJBF COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587336532 NPXYTOXKTUEIBO-ISKFKSNPSA-N 437.423 4.808 5 1 IJBF CCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O 587743203 CNCHHVJOIQEZJS-XTZNXHDOSA-N 439.281 4.614 5 1 IJBF COc1ccc2c(c1)[C@@]1(c3cc([N+](=O)[O-])ccc3-c3c(C(=O)O)cccc31)N(C(C)C)CC2 962090963 JVENXLWCRLYTRN-SANMLTNESA-N 444.487 4.840 5 1 IJBF CCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148091 VQCURIBIGJENIH-UHFFFAOYSA-N 433.512 4.545 5 1 IJBF CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 84655361 GHIWYEWQUFHJNZ-QHCPKHFHSA-N 449.507 4.740 5 1 IJBF O=C1CCc2c(nc3cccc4c3c2CC4)[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587210123 FWUDAHRORVGYNN-FQEVSTJZSA-N 440.377 4.742 5 1 IJBF CN(C)/C=C/[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339211 FLAVHEXTBSQEMB-HGJZCRRWSA-N 448.450 4.769 5 1 IJBF CCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O 587747331 PSRPNQYNSSVJAE-MLCYQJTMSA-N 439.281 4.614 5 1 IJBF CCC[C@H](Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1 5649353 DQMXSNBQHYSHQS-RUZDIDTESA-N 428.661 4.983 5 1 IJBF endogenous,in-man CCOP(=O)(OCC)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 169346827 PTJSRCCTIQSMGD-UHFFFAOYSA-N 428.385 4.687 5 1 IJBF COP(=O)(OC)[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)[C@H](C[N+](=O)[O-])c1ccccc1 1857656459 KZMCAYFLBDWOLE-XXYORIAFSA-N 435.457 4.687 5 1 IJBF O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cc([N+](=O)[O-])ccc1O 29219442 DCQFCJUQCBHSDL-UHFFFAOYSA-N 429.772 4.907 5 1 IJBF CCOP(=O)(OCC)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 169346829 MRUPDESYMWVYKA-UHFFFAOYSA-N 428.385 4.687 5 1 IJBF CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1 169447800 SVTUHQAOSUHFHA-UHFFFAOYSA-N 430.457 4.615 5 1 IJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC1 587270721 ZIVNVFXYUIAOAM-UHFFFAOYSA-N 436.365 4.649 5 1 IJBF C[C@@]12CCC(=O)c3c1c(nn3Cc1ccc([N+](=O)[O-])cc1)C[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 36088055 UYNSRKBUFVSFKD-FHMNWOSBSA-N 447.535 4.642 5 1 IJBF CN1CCN(C(=O)CCC(=O)Nc2cc3c4ccccc4ccc3c3ccccc23)CC1 29308308 AUVXVDFHHKPHQH-UHFFFAOYSA-N 425.532 4.639 5 1 IJBF Cc1cc(Br)ccc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586981136 KYCYCXOVFITYIB-UHFFFAOYSA-N 441.079 4.884 5 1 IJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587119152 YZYRQSFHDJUXHM-UHFFFAOYSA-N 431.374 4.622 5 1 IJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3c(oc(=O)c4ccccc43)c1C)O2 587407456 ILRONZZZFXLYBP-SANMLTNESA-N 429.472 4.948 5 1 IJBF Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587744779 FQEHRFCQPHVXLZ-CPYFXGCJSA-N 448.336 4.658 5 1 IJBF COc1cc2c3c(c1)O[C@@](C)(COc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O 587450215 FALLSKAWKLAQCG-DCFHFQCYSA-N 442.467 4.848 5 1 IJBF CC(C)([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@H](C[N+](=O)[O-])c1ccccc1 587579140 ZBXXXVNWQDTWBL-JLGINSKQSA-N 433.460 4.809 5 1 IJBF O=S(=O)(O)Oc1cc2[nH]c3ccc4c5ccc(Br)cc5[nH]c4c3c2cc1O 96934375 PYFAQQQGZXVKKO-UHFFFAOYSA-N 447.266 4.605 5 1 IJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1 586949536 XZKJJOAQQHYYGP-UHFFFAOYSA-N 442.884 4.901 5 1 IJBF Cc1c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cccc1[N+](=O)[O-] 587261653 FJKTZZIZFOAZFU-UHFFFAOYSA-N 442.884 4.901 5 1 IJBF CC(C)([C@H](C[N+](=O)[O-])c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587579142 ZBXXXVNWQDTWBL-UTSGNWPNSA-N 433.460 4.809 5 1 IJBF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587079642 JRGOSNCMYAWKBS-GFCCVEGCSA-N 434.681 4.611 5 1 IJBF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587167404 SPLXJASYGXCJBW-AWEZNQCLSA-N 448.252 4.742 5 1 IJBF O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc([N+](=O)[O-])cc2)C1)-c1ccccc1C4=O 586987148 KCQGEQNPGICLHD-SFHVURJKSA-N 436.423 4.707 5 1 IJBF CC(C)CN(C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134456 FGLVHHPTJUHXRF-UHFFFAOYSA-N 425.533 4.772 5 1 IJBF O=C(Nc1ccc(F)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 261125716 KFBRZPHJODPHCN-UHFFFAOYSA-N 426.385 4.608 5 1 IJBF Cc1cc2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2cc1[N+](=O)[O-] 587032574 UNRWWVQOHHCIQK-URXIRXLPSA-N 429.527 4.906 5 1 IJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587269004 GSPAUWYDLSWQKS-UHFFFAOYSA-N 444.163 4.644 5 1 IJBF COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cccc([N+](=O)[O-])c13)/C(=C/Cl)N2 587644666 KEDVYEAYJXABPD-RQZCQDPDSA-N 428.832 4.512 5 1 IJBF COc1cc2c(cc1OC)S[C@@H](C(=O)C[C@H]1C=CC[N+](C)(Cc3ccccc3)CC1)C2 169347814 XXUAMLUZORJNNC-TWUNHGOMSA-N 438.613 4.903 5 1 IJBF COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1 5544519 ZNPZRHFEKKYHGT-WMZHIEFXSA-N 434.540 4.808 5 1 IJBF C[C@](O)(COC(=O)c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 34801529 WGRABUXUJKSSCM-SFHVURJKSA-N 442.777 4.813 5 1 IJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1[N+](=O)[O-] 587540351 NSDFWSWRGVNIRN-XLIONFOSSA-N 442.221 4.766 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2Br)N1 587680186 SVINXQARANXYDN-VPTHRUTESA-N 444.098 4.883 5 1 IJBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587697242 NBOCENMNRLQGCB-NIVTXAMTSA-N 443.700 4.956 5 1 IJBF O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc4c(c3)OCCO4)n2-c2ccccc2)c1 72118876 WWRCMOGLDLNSQB-UHFFFAOYSA-N 446.488 4.906 5 1 IJBF C[N@+]12CCCC[C@@H]1[C@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 254127886 COVRFRZXBPXMME-XZVOCPJPSA-N 441.595 4.856 5 1 IJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(I)cc4[nH]3)c2)c1 587270970 YNMHGWQYKWUBHP-UHFFFAOYSA-N 442.216 4.805 5 1 IJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 587708291 ATCISTACARZAHR-FVMDXXJSSA-N 433.199 4.837 5 1 IJBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1C 587165892 OVHBFNCRKIGXKY-UHFFFAOYSA-N 436.443 4.807 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 587707530 VEJPNRHOGPKCIN-JDNHERCYSA-N 433.199 4.837 5 1 IJBF CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NC1CCCCC1 82222828 JOJWNHLGKZNWAS-KRWDZBQOSA-N 434.587 4.701 5 1 IJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn1C)CC2=O 587471340 PYEISSGICDSSRS-JOCHJYFZSA-N 434.448 4.529 5 1 IJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 587678774 LOQNFBMSOVPFCU-ZKANADHPSA-N 444.098 4.883 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 587751297 LYJITERSJSOCIW-CYBMUJFWSA-N 434.309 4.526 5 1 IJBF Cn1nc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587131078 WMKPSNXFHPOPLM-UHFFFAOYSA-N 436.378 4.688 5 1 IJBF COc1ccccc1-c1coc2c(c(O)cc3occ(-c4ccccc4OC)c(=O)c32)c1=O 653882166 UETCMUMOHKPSCQ-UHFFFAOYSA-N 442.423 4.956 5 1 IJBF COc1cc(C[C@@H](O)c2ccc(-c3ccc(C(F)(F)F)nc3)cc2)c([N+](=O)[O-])cc1OC 1857643521 ZQBSXQSVJBGDAL-GOSISDBHSA-N 448.397 4.969 5 1 IJBF O=C(CSCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587112693 BTICOPJLWSWKDR-UHFFFAOYSA-N 428.367 4.501 5 1 IJBF C[C@@H]1[C@@H](NC(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C 105175416 COCJHTKATGDHCW-XVSRIUFKSA-N 449.555 4.674 5 1 IJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 587750196 HEAANCIHISNNLG-GIPWTMENSA-N 445.292 4.521 5 1 IJBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587049414 IOCIBJRGWQDXMN-CMDGGOBGSA-N 427.848 4.515 5 1 IJBF