smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1CCc1ccccc1 98083123 MGKQIHMVKXGAEZ-UHFFFAOYSA-N 417.490 4.840 5 1 HJBF O=[N+]([O-])c1cc(-c2nc3ncc[nH]c-3n2)ccc1Sc1nc2ccccc2s1 587036841 AXXCGVHTJZLOOP-UHFFFAOYSA-N 406.452 4.641 5 1 HJBF O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587337618 BTSMBLWMPQSLTH-FYYLOGMGSA-N 419.364 4.600 5 1 HJBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587390348 PTVVCILVLYNEEY-BUXKBTBVSA-N 414.458 4.625 5 1 HJBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1ccco1 299831504 QFUMHBGMIBNLME-UHFFFAOYSA-N 408.395 4.751 5 1 HJBF Cc1oc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587268832 LVQAHXUCISSXKG-UHFFFAOYSA-N 406.114 4.701 5 1 HJBF COc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c(O)c2)cc1OC 587925686 CEZUSYHIJMFUDK-UHFFFAOYSA-N 409.373 4.667 5 1 HJBF CCCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82134467 XFJBDDXXCGBYQA-UHFFFAOYSA-N 411.506 4.574 5 1 HJBF O=C1CCC(c2ccccc2)(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 587969850 AQHOKDZOSPBWGR-UHFFFAOYSA-N 414.259 4.663 5 1 HJBF Cc1ccc2c3c(c4c(nc13)[C@@H](n1ccc([N+](=O)[O-])n1)CCC4)-c1ccccc1C2=O 587096914 DIAQMFUTUMULEL-SFHVURJKSA-N 410.433 4.785 5 1 HJBF CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746134 JGGZLSITDDNCRX-WYRIXSBYSA-N 423.282 4.693 5 1 HJBF COc1cccc(-c2cc(-c3c([N+](=O)[O-])cnn3C)nc3c2oc2ccccc23)c1 587362726 LDXIYOXWMJQPCO-UHFFFAOYSA-N 400.394 4.965 5 1 HJBF C[C@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548302 PKJJTZSIVZTRGA-WIYYLYMNSA-N 411.797 4.831 5 1 HJBF O=C1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 587494763 AACXSOQQEGBPSE-QGZVFWFLSA-N 418.243 4.648 5 1 HJBF CCN(CC)CCNCc1c2c(cc3oc4ccccc4c(=O)c13)OC(C)(C)C=C2 22452377 ALBWOBIDTNZRJE-UHFFFAOYSA-N 406.526 4.562 5 1 HJBF O=[N+]([O-])c1cncc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587111889 SGOYEWHXYRJDMZ-UHFFFAOYSA-N 404.270 4.689 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1 587698480 QJEFMUCRPOOYNJ-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF O=c1cc(Cn2cc(COc3ccc(Cl)cc3)nn2)c2c(ccc3ccccc32)o1 653754338 RYQCUFVIAAXTKH-UHFFFAOYSA-N 417.852 4.818 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccc([N+](=O)[O-])cc3)c1)O2 587389525 LMKFAUYACSDHHS-QFIPXVFZSA-N 404.422 4.771 5 1 HJBF C[C@@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547901 OBTSMWXFJHOHKT-NQIIRXRSSA-N 411.797 4.831 5 1 HJBF O=c1nc2c3cccc4c(N5CCSCC5)ccc(c-2c1NCc1ccccc1)c43 95596551 MMWKBXDPQOBTNO-UHFFFAOYSA-N 411.530 4.894 5 1 HJBF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587927312 OPDRNSZFESIYIH-LBPRGKRZSA-N 420.263 4.793 5 1 HJBF O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc([N+](=O)[O-])ccc12 587647740 NRDWRTWXRITNOI-UHFFFAOYSA-N 402.366 4.904 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751998 PLNNWFCLJVMPOX-OVWNDWIMSA-N 418.266 4.775 5 1 HJBF OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2 34806461 CLEQGDYGJWYDQY-UHFFFAOYSA-N 414.569 4.750 5 1 HJBF CC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2 238749683 LSGGLLUQYVJIEO-UHFFFAOYSA-N 406.434 4.804 5 1 HJBF C[C@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549238 ZBDJJLDXFBYEQL-GHTZIAJQSA-N 411.797 4.831 5 1 HJBF Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cccc1[N+](=O)[O-] 587261195 YAKFXLRQPZIPEF-UHFFFAOYSA-N 411.053 4.972 5 1 HJBF C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328565 AZOABGMTNWURCD-UNMCSNQZSA-N 411.360 4.853 5 1 HJBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Cl)cc1Cl 587644653 JVVQGHGSILVMQI-UHFFFAOYSA-N 407.209 4.791 5 1 HJBF C[C@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)NCCc2cc(-c3ccccc3)ccc21 962656511 BFHCVQZWIFPRGN-XMMPIXPASA-N 401.466 4.652 5 1 HJBF Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587576474 OTWFHUCWOKBTQV-NZQKXSOJSA-N 405.406 4.572 5 1 HJBF CC[C@@H](C)CCC[C@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12 1857765462 ZHIGZPDMAWIDEJ-UVQUFPMPSA-N 424.497 4.520 5 1 HJBF CCOc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(Br)c1OC 586978492 UMMGBHCHPYBAAT-DAXSKMNVSA-N 418.247 4.811 5 1 HJBF O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C(=O)O)cccc12 587637300 AIVNEMZBHVKXTI-UHFFFAOYSA-N 401.378 4.694 5 1 HJBF Cc1cc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1[N+](=O)[O-] 586983795 CJFCXHCGNJYWHZ-SFHVURJKSA-N 415.291 4.727 5 1 HJBF CCCn1cnc2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc(Br)c21 587004653 XSRLVIJMWRAWGB-UHFFFAOYSA-N 400.236 4.660 5 1 HJBF C[C@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550809 YVORMMSSDNCOQZ-GHTZIAJQSA-N 411.797 4.831 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1 587752660 SSKAZZXWDDBZCM-APBUJDDRSA-N 416.250 4.668 5 1 HJBF CCOP(=O)(CCC(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1)OCC 1772640390 VSCYRMJJWFJRHI-UHFFFAOYSA-N 420.402 4.784 5 1 HJBF COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(Cl)cc1)c1ccc(F)cc1F 66098360 ZBXANAWPZWTDGK-QGZVFWFLSA-N 423.803 4.690 5 1 HJBF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587272216 QARDEOQPLGFNHE-UHFFFAOYSA-N 402.410 4.632 5 1 HJBF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2-c2ccccc2[N+](=O)[O-])cc1 587650157 GFKMFTQPBWUEIH-UHFFFAOYSA-N 422.462 4.822 5 1 HJBF O=C([C@H]1Cc2ccccc2[C@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12)C(F)(F)F 962730320 NCTCUTDZMAMNPN-IRLDBZIGSA-N 424.378 4.513 5 1 HJBF COc1ccc2c(c1OC)[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(C1CC1)N(C)[C@@H](C)C2 962561634 DMFIXOHCLYFKNU-XMHCIUCPSA-N 416.905 4.795 5 1 HJBF CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773802 NLWVOOQAXUOFGN-UHFFFAOYSA-N 403.797 4.848 5 1 HJBF COc1cc2[nH]c(-c3ccc4c(c3)[C@H]([N+](C)(C)C)CC4)cc(=O)c2cc1-c1cnco1 13487625 JCLZYNSITIMVOU-JOCHJYFZSA-O 416.501 4.552 5 1 HJBF Cc1onc(-c2nc3c(C(C)(C)C)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587081048 ZVHFFTKHVMQQLX-UHFFFAOYSA-N 414.853 4.630 5 1 HJBF Cc1oc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587268522 BTQCQFNRSOXIKB-UHFFFAOYSA-N 401.014 4.565 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 587743325 AMBXJMBSTSVZMY-MPBGBICISA-N 419.294 4.879 5 1 HJBF O=[N+]([O-])c1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1Cl 587029405 NRTSONFKLQIOIA-UHFFFAOYSA-N 410.846 4.646 5 1 HJBF O=C(CCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Cl)cn1 587081563 QIBMQBKGZYTQHL-UHFFFAOYSA-N 401.857 4.913 5 1 HJBF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 587576936 QFCYSQZNHCGLES-GBXCKJPGSA-N 417.417 4.839 5 1 HJBF CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 587643952 LIELFRWFSNURGJ-UHFFFAOYSA-N 403.232 4.611 5 1 HJBF Cc1nc(Nc2cc(Cl)ccc2O)nc(Nc2cc(Cl)ccc2O)c1[N+](=O)[O-] 9761159 PONVXOBNXKKDFA-UHFFFAOYSA-N 422.228 4.898 5 1 HJBF Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1[N+](=O)[O-] 587026961 NTJQZLGSLQYKRC-ZTNFWEORSA-N 424.526 4.916 5 1 HJBF CC(C)COc1cccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587565516 CNBNTGFOYUIHGZ-UHFFFAOYSA-N 420.263 4.847 5 1 HJBF N=C=C(C(=N)Sc1ccccc1N)c1cccc([C@H](O)c2cccc([N+](=O)[O-])c2)c1 169717990 MAMDICCUJJXXOB-NRFANRHFSA-N 418.478 4.660 5 1 HJBF Cc1c(Br)cnc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12 587270762 SMYSHPKRXOZSQC-UHFFFAOYSA-N 410.231 4.666 5 1 HJBF CCCCCOc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587277569 YLEUYOJKRQGUOF-NSHDSACASA-N 422.283 4.608 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 587751436 MJICQMITJJGZSO-LZVRBXCZSA-N 405.223 4.866 5 1 HJBF CN(C)CCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2cc3ccccc3cc12 1857554375 ZBDKWWURYKMJJC-CSKARUKUSA-N 404.464 4.627 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1[N+](=O)[O-])CC2=O 587457624 LNFFYHIEUHPLHV-QGZVFWFLSA-N 406.232 4.722 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1[N+](=O)[O-] 587138191 ZQFGYOCHDITUED-UHFFFAOYSA-N 415.562 4.601 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1 587749148 XLVVRBNFUYLTKY-WYRIXSBYSA-N 421.266 4.519 5 1 HJBF COc1ccc(-c2ccc([C@H](O)Cc3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)cc1 653708488 PPFKGCCVKOMBIC-OAQYLSRUSA-N 409.438 4.564 5 1 HJBF CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 1772632375 JJXVOACEMXWULS-GYHWCHFESA-N 418.449 4.534 5 1 HJBF COc1cccc(-c2cc(Cn3cc([N+](=O)[O-])cn3)nc3c2oc2ccccc23)c1 587363989 YCVHFWVZTDODIM-UHFFFAOYSA-N 400.394 4.810 5 1 HJBF COc1ccc(C(=O)c2c(C(F)(F)C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645263 NCRISTBPUCMPHQ-UHFFFAOYSA-N 414.286 4.970 5 1 HJBF COc1ccc2c(c1OC)[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(C1CC1)N(C)[C@H](C)C2 962561629 DMFIXOHCLYFKNU-DMZKTXOQSA-N 416.905 4.795 5 1 HJBF CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 855820 GOPSOGCVMPFJHB-JOCHJYFZSA-N 406.438 4.535 5 3 HJBF COc1cc2c(cc1[N+](=O)[O-])-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586986526 BZYAVUKFZVHQGP-UHFFFAOYSA-N 424.412 4.834 5 1 HJBF CC/C(=C(/c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 1772632376 JJXVOACEMXWULS-ZNTNEXAZSA-N 418.449 4.534 5 1 HJBF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134849 LQKVZUIWEOGLPX-DOXZYTNZSA-N 411.506 4.571 5 1 HJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)CC2=O 587473332 SAZSNEKSJQAXQT-OAQYLSRUSA-N 414.414 4.659 5 1 HJBF CN(C)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)cc1 40949477 UJLVRZJAUAJELQ-UHFFFAOYSA-N 402.587 4.837 5 1 HJBF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2cc([N+](=O)[O-])ccc12 587646445 SXVLYWAPMFXESA-UHFFFAOYSA-N 400.259 4.615 5 1 HJBF Brc1n[nH]c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc12 587006241 BLSBEFFNJRGWMZ-UHFFFAOYSA-N 415.254 4.965 5 1 HJBF Cc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br 587265434 DQWXTXRYMXYTNL-VIFPVBQESA-N 420.223 4.623 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 587269051 IWUIJADSMGIETJ-UHFFFAOYSA-N 405.227 4.640 5 1 HJBF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O 587420947 JQBILWHLVLNADC-MBSDFSHPSA-N 421.836 4.948 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1 587752664 SSKAZZXWDDBZCM-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586918022 VTWGYGUYVWXYRH-LMKMVOKYSA-N 408.461 4.876 5 1 HJBF Oc1ccc2nc3ccccc3nc2c1Cc1c(O)ccc2nc3ccccc3nc12 14591181 UEMRXUPBPMNPIE-UHFFFAOYSA-N 404.429 4.881 5 1 HJBF biogenic O=C(CSc1nnccc1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-] 103300202 WZZIOAVAHHBNKM-UHFFFAOYSA-N 416.462 4.936 5 1 HJBF O=[N+]([O-])c1ccc2nc([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)ccc2c1 962723009 ZNYZFHLGCTUDCV-KSFYIVLOSA-N 409.486 4.735 5 1 HJBF c1ccc2/c(=N/c3ccncc3)cc3oc4cc(N5CCOCC5)ccc4nc-3c2c1 71332734 TUWJAFMKHBUVBN-HPNDGRJYSA-N 408.461 4.550 5 1 HJBF O=[N+]([O-])c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 586999970 HLNDVGRRMNKVJH-UHFFFAOYSA-N 424.258 4.908 5 1 HJBF Cc1ccc(-c2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cs2)o1 587017200 HXAVHVBXQFEAOK-UHFFFAOYSA-N 405.233 4.926 5 1 HJBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(C(F)(F)F)cc1 587646570 VLQJEMMURIZZCL-UHFFFAOYSA-N 406.316 4.503 5 1 HJBF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587233916 WQJMSGCTJUDYHY-KBPBESRZSA-N 403.486 4.820 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1[N+](=O)[O-])C1CC1 587575079 IHERINRNQZSBJG-XUZZJYLKSA-N 417.417 4.654 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1nc3ccc([N+](=O)[O-])cc3s1)O2 587413236 FWKLHODXCRENOB-LJQANCHMSA-N 415.496 4.611 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961753111 XETFZHGJGAPPNC-SFHVURJKSA-N 403.276 4.524 5 1 HJBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(Cl)c1 103177767 HYOCOKLORFSRQR-UHFFFAOYSA-N 415.176 4.721 5 1 HJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4c(O)ccc(O)c4oc13)C[C@H](C(C)(C)C)O2 238769504 DRLYFKUSNMYYFW-MRXNPFEDSA-N 410.466 4.921 5 1 HJBF CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 587385353 NLQVGYCWOAKPFM-HSZRJFAPSA-N 421.428 4.575 5 1 HJBF COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccc([N+](=O)[O-])cc14)(C1CCC1)[C@@H](C2)C3=O 587432868 LZRQWXQPHZXKOZ-SBUREZEXSA-N 404.422 4.528 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587748973 CKGNXIBBXRDXOO-LZVRBXCZSA-N 404.239 4.601 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1 587693729 FEYRSHCECJAXEA-XYZCENFISA-N 413.674 4.948 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1 587744355 DHJDMOHDXNKBHS-WLRWDXFRSA-N 421.266 4.519 5 1 HJBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCCCCN1CCCC1 45349262 MHXCVMISCSILSO-UHFFFAOYSA-N 408.502 4.790 5 1 HJBF N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1nc(-c2ccccc2)cs1 98082773 OTGYEYHJCWJWIR-UDIJICLVSA-N 408.464 4.774 5 1 HJBF N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1 586997220 PCZNVFDBXLMJIU-MRXNPFEDSA-N 418.298 4.664 5 1 HJBF C[C@@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547902 OBTSMWXFJHOHKT-RXVVDRJESA-N 411.797 4.831 5 1 HJBF COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(O)c3ccccc3c2c1 1857568435 UVOKLEHSNNULRO-UHFFFAOYSA-N 414.870 4.556 5 1 HJBF COc1ccc(C(=O)COc2cccc([N+](C)(C)Cc3ccccc3)c2)cc1OC 3965856 UPHRCMQUKNHOJI-UHFFFAOYSA-N 406.502 4.733 5 1 HJBF Nc1ccc(-c2ccc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3c2)cc1N 587268643 AJYGXKOCJKLIJT-UHFFFAOYSA-N 414.469 4.570 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1OC)CC2=O 587473596 YEXFXCNAAHAYOT-JOCHJYFZSA-N 422.437 4.759 5 1 HJBF Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587576466 OTWFHUCWOKBTQV-NFBKMPQASA-N 405.406 4.572 5 1 HJBF O=[N+]([O-])c1cccc(-c2nc(N3CCCC3)ncc2-c2nc3ccccc3s2)c1 82163583 KFGVURIPJWJADR-UHFFFAOYSA-N 403.467 4.929 5 1 HJBF Cc1cc(N(C)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c([N+](=O)[O-])cc1F 587136682 IMGPXEAZJRBFCX-UHFFFAOYSA-N 418.428 4.786 5 1 HJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc4ccccc4cc3[nH]2)CC1 587270938 USADOGZNQYDPBC-UHFFFAOYSA-N 400.438 4.644 5 1 HJBF Cc1cc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2cc1[N+](=O)[O-] 587155457 ZAGSWVKRMYTDHF-UHFFFAOYSA-N 420.400 4.603 5 1 HJBF O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1coc2cc([N+](=O)[O-])ccc12 587279845 DGIFYBFBNYIESP-UHFFFAOYSA-N 408.322 4.652 5 1 HJBF COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)CC2 587935988 YDRXVRNLXKOGCV-LLVKDONJSA-N 402.248 4.515 5 1 HJBF COc1ccc(-c2ccc3oc4ccc(=O)n(-c5ccc([N+](=O)[O-])cc5)c4c3c2)cn1 1857652216 PZUUMXSLTZXADN-UHFFFAOYSA-N 413.389 4.716 5 1 HJBF CC(C)CN(C(=O)c1cccnc1)c1c2ccccc2c(=O)n2c1[nH]c1ccccc12 1857651961 KDHLIXSOWNJFDE-UHFFFAOYSA-N 410.477 4.632 5 1 HJBF COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@H]2CC[C@H]1C2 253633274 IHYDROZCUNAQKC-UEQPGAFTSA-N 420.465 4.688 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1 587712736 ABILRHGIUNFWGV-HYORBCNSSA-N 417.637 4.913 5 1 HJBF CCC(CC)[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)N1CCCCC1)C2 73160017 RHTDCYORTDFEFL-WILGIRNMSA-N 413.626 4.729 5 1 HJBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc([N+](=O)[O-])c3[nH]1)N2 587031463 NYZKLVKCJUQHMW-QVASGMJFSA-N 415.500 4.598 5 1 HJBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577949 UYWWDZQYLZEFJD-REWPJTCUSA-N 405.406 4.958 5 1 HJBF Cc1c(F)cccc1-c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc([N+](=O)[O-])c1 587136052 ANDQZTUQZVNVPW-UHFFFAOYSA-N 403.373 4.835 5 1 HJBF CC(=O)Nc1cc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1 1772576944 CMDUEJAUPPVOGE-UHFFFAOYSA-N 404.835 4.549 5 1 HJBF O=[N+]([O-])c1ccc(-c2nc(N3CCCC3)ncc2-c2nc3ccccc3s2)cc1 82174408 LNPKVPHQWNSSJC-UHFFFAOYSA-N 403.467 4.929 5 1 HJBF CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587390354 PTVVCILVLYNEEY-HXPMCKFVSA-N 414.458 4.625 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc([N+](=O)[O-])ccc2o1 587577962 VCVCNYYNWFAESC-KNQAVFIVSA-N 403.346 4.750 5 1 HJBF COc1ccc([C@H]2[C@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1 1772637313 NHNKDUUDSZZXTN-CVDCTZTESA-N 400.438 4.611 5 1 HJBF CN(C)CCCCOc1ccc2cc3ccc(OCCCCN(C)C)cc3nc2c1 29415781 QIWUWMKLDXZNAX-UHFFFAOYSA-N 409.574 4.829 5 1 HJBF COc1ccc(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1F 587144930 RPSUMUOOAQIRTH-UHFFFAOYSA-N 405.385 4.825 5 1 HJBF COc1ccc(C)cc1NCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587228716 WVNXTXIGUVFBFB-UHFFFAOYSA-N 419.279 4.595 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc1)O2 587388412 BASPAUSLVAEXCQ-OAQYLSRUSA-N 418.405 4.557 5 1 HJBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cc(Cl)ccc1Cl 587645145 XJELVTWSEDJOJD-UHFFFAOYSA-N 407.209 4.791 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751996 PLNNWFCLJVMPOX-DGIBIBHMSA-N 418.266 4.775 5 1 HJBF CCN(CC)CCn1[nH]c2c3c(Cl)c(OC)ccc3nc3c([N+](=O)[O-])ccc1c32 27548780 GOVLJNAVLIWHPA-UHFFFAOYSA-N 415.881 4.583 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Cl 587016624 DGPRKERWHKKWPW-UHFFFAOYSA-N 422.857 5.540 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1 587691359 DYJDZTFRAZWWBQ-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc([N+](=O)[O-])c1)C1CC1 587577258 RLZJSBQDYXKHIC-NFBKMPQASA-N 403.390 4.568 5 1 HJBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587929250 HNXBBDVZEVNJEG-BBATYDOGSA-N 402.248 4.687 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961753092 XETFZHGJGAPPNC-GOSISDBHSA-N 403.276 4.524 5 1 HJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(F)c2[nH]1 587054892 MUZZIHBICFHGKM-HNNXBMFYSA-N 408.792 4.530 5 1 HJBF Cc1onc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080079 QLWWZMSKKLVXKY-UHFFFAOYSA-N 414.853 4.630 5 1 HJBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512868 PFPCIOQQBBRUNU-RUZDIDTESA-N 414.461 4.965 5 1 HJBF CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3cccc([N+](=O)[O-])c23)CC1 587649742 YUYYPEZQCQPGCU-UHFFFAOYSA-N 403.486 4.755 5 1 HJBF O=C1c2ccc(O)cc2O[C@]2(CCc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1 587343482 TZFCCINZNWSLTA-GGAORHGYSA-N 405.381 4.640 5 1 HJBF Cc1ccc(NC(COc2cccc([N+](=O)[O-])c2)COc2cccc([N+](=O)[O-])c2)cc1 2178320047 BQOZVCIBJCKVRW-UHFFFAOYSA-N 423.425 4.750 5 1 HJBF CC(C)(O)[C@@H]1Cc2ccc(OC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)cc3)cc2O1 72175323 JVDAKFOHBGWJBR-QFIPXVFZSA-N 419.433 4.555 5 1 HJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(Br)c1[N+](=O)[O-])CC2=O 587457195 VZNGRTVNGAWTRQ-LJQANCHMSA-N 420.259 4.896 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)N1 587752904 UNLWJRADIYASOT-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 962374448 QCOLHRPTPVOBGS-HSZRJFAPSA-N 422.554 4.743 5 1 HJBF COC(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1OC 587271368 BBRRBPXHTZUZHA-UHFFFAOYSA-N 419.393 4.726 5 1 HJBF O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1cccc(Br)c1 653688570 XTPVLNJUPPDBHI-UHFFFAOYSA-N 411.207 4.634 5 1 HJBF CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] 13146649 XLUWPBDJPCVERE-USTZCAOPSA-N 424.284 4.696 5 1 HJBF Cc1nn(Cc2ccccc2-c2nc3ccc4c(c3[nH]2)CCCC4)c(C)c1[N+](=O)[O-] 587267916 UMYFELLKRYWJDI-UHFFFAOYSA-N 401.470 4.879 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 587268707 BYDRFXDHTZJVGB-UHFFFAOYSA-N 405.227 4.640 5 1 HJBF Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Nc1nc(-c2cccnc2)c[nH]1 40897464 WGVUYCIHJGHBLJ-UHFFFAOYSA-N 414.425 4.684 5 1 HJBF Cc1c(F)ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 587118121 KFZGYDVVRSRZSM-UHFFFAOYSA-N 419.338 4.849 5 1 HJBF Cc1cc(N(C)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])cc1F 587137020 OWGRMSAEDVMALK-UHFFFAOYSA-N 416.416 4.651 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3c(c1)oc(=O)c1ccccc13)O2 587408047 KRRMTVOWVXJKRN-VWLOTQADSA-N 415.445 4.640 5 1 HJBF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587116588 IFBHJHRGFHRYSV-UHFFFAOYSA-N 402.767 4.732 5 1 HJBF Cc1cc2[nH]c(-c3cc(Cl)cc(I)c3)nc2cc1[N+](=O)[O-] 587184439 SVHJVUNWTIKOSB-UHFFFAOYSA-N 413.602 4.705 5 1 HJBF COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] 587331065 DDLAYWIHTOKFJD-OFNKIYASSA-N 423.396 4.722 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2c([N+](=O)[O-])cccc12 587575977 LQMBUWNZENSTNQ-WMZHIEFXSA-N 414.373 4.552 5 1 HJBF CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2cc([N+](=O)[O-])ccc12 587646689 HEUPAEOHMSMPJR-UHFFFAOYSA-N 405.451 4.509 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])N1 587751496 MZTBVANBRVKJGU-MLCYQJTMSA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc3ccccc3c1)C2 45255123 RJODRYCXYIZREL-FQEVSTJZSA-N 401.422 4.589 5 1 HJBF Cc1ccccc1C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1 1857563021 HVFCYOWDPOOCOS-UHFFFAOYSA-N 415.409 4.548 5 1 HJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587159985 ANEWAYMRTXPRHT-UHFFFAOYSA-N 420.116 4.938 5 1 HJBF COc1ccc(C)cc1NCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587228585 TUXRLYUTPHYLDB-UHFFFAOYSA-N 419.279 4.595 5 1 HJBF CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] 13146650 XLUWPBDJPCVERE-XSLAGTTESA-N 424.284 4.696 5 1 HJBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586915538 FSROJBRMGPEOEM-IQGLISFBSA-N 408.461 4.876 5 1 HJBF C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333855 NOPFYMTXQBVKOE-IRLDBZIGSA-N 411.360 4.853 5 1 HJBF CCCc1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nn1-c1ccccc1F 587156304 TXJAJRXJUVKXSE-UHFFFAOYSA-N 423.455 4.999 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1 587750657 JKMPYJIULXAAFB-GIGQVBGESA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1cc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Cl 587048665 YAMLUURHFXDRJM-DUXPYHPUSA-N 404.135 4.709 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(F)c(Br)c2[nH]1 587109296 GTNDVCJNMCZDBN-UHFFFAOYSA-N 418.144 4.982 5 1 HJBF Nc1sc(Br)c(-c2ccc([N+](=O)[O-])cc2)c1C(=O)c1ccccc1 13518387 GCTVPHUWHNMONS-UHFFFAOYSA-N 403.257 4.899 5 1 HJBF C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 34804415 HLTFREXRHSGZIS-UHFFFAOYSA-O 407.456 4.713 5 1 HJBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587272965 BVPUKTDXJAQOFX-GFCCVEGCSA-N 404.455 4.748 5 1 HJBF CCc1sc(NS(=O)(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 26939570 AGRCNVHPMXKQRD-OUKQBFOZSA-N 415.496 4.693 5 1 HJBF COc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 586986842 FOBPPIHVORGNCM-UHFFFAOYSA-N 412.401 4.659 5 1 HJBF Cc1cc(N(C)Cc2nc3ccc(Br)c(C)c3[nH]2)c([N+](=O)[O-])cc1F 587137345 VTVGJRKZNSNHGP-UHFFFAOYSA-N 407.243 4.626 5 1 HJBF COc1cccc(-c2cc(Cn3ccc([N+](=O)[O-])n3)nc3c2oc2ccccc23)c1 587363671 WHXFPLUFEVPVBD-UHFFFAOYSA-N 400.394 4.810 5 1 HJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514562 ZRETWDLYKYDVHT-QHCPKHFHSA-N 418.449 4.979 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587071786 RLDUABIQZKNQEG-UHFFFAOYSA-N 418.638 4.944 5 1 HJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 587262108 NAGSFMCFORTYLP-UHFFFAOYSA-N 410.655 4.817 5 1 HJBF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587233684 SUPOOPHTCWBVSI-XJKSGUPXSA-N 403.486 4.820 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccccc2[N+](=O)[O-])N1 587744304 CYGVBPLIPWZGAU-BLVKFPJESA-N 407.283 4.879 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccccc2[N+](=O)[O-])N1 587745124 GIVICIVSNCZLQK-HXPMCKFVSA-N 407.283 4.879 5 1 HJBF COc1cc2oc3cc(O)c4c(c3c(=O)c2c2c1O[C@H](C(C)C)C2)OC(C)(C)CC4 2356429589 AUXBUMVCOFRWNG-HNNXBMFYSA-N 410.466 4.724 5 1 HJBF COc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260959 MTBZBIKIRRXEPR-UHFFFAOYSA-N 401.728 4.828 5 1 HJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)c(F)c2[nH]1 587055260 NZWFFHQXLVUSRA-HNNXBMFYSA-N 408.792 4.530 5 1 HJBF CC1CCN(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135572 WKXJUDNLKLOXDB-UHFFFAOYSA-N 423.517 4.669 5 1 HJBF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746054 IUUVCVOIZOGCIS-MGNBDDOMSA-N 409.255 4.519 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c2cccnc12 587574238 DUMUSPVVDVJUMN-WMZHIEFXSA-N 414.373 4.552 5 1 HJBF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2N1 587124676 NWDXQSDQOASDQZ-HZMBPMFUSA-N 423.402 4.830 5 1 HJBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cc(Cl)ccc1Cl 587644755 MQRQTCBGIZCWRP-UHFFFAOYSA-N 407.209 4.791 5 1 HJBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3CCCc2ccccc2)cc1 13584377 RKBLNKSFHNGJTO-UHFFFAOYSA-N 405.483 4.660 5 1 HJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@H]21 587024922 CMRMWHOLKOAFQQ-LESCRADOSA-N 410.499 4.608 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1 587691515 CCSUQFOVLMJFFQ-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF O=C(O)c1cccc2c1CCN[C@@]2(Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 963127786 YOKRQGJAZBHDSQ-QHCPKHFHSA-N 422.868 4.578 5 1 HJBF O=[N+]([O-])c1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 587020752 FNPISZKLUKXSTD-UHFFFAOYSA-N 414.450 5.400 5 1 HJBF CSC1=N[C@@H]2/C(=C(\O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1 169302194 HDOFHDIMICWWKS-UYTDBDHRSA-N 407.517 4.892 5 1 HJBF COC(=O)c1nc(Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)c2ccccc2n1 299823100 JZKDGNIGTKOLEE-UHFFFAOYSA-N 416.393 4.861 5 1 HJBF O=[N+]([O-])c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587120246 DZEDTLZFYRBGTK-UHFFFAOYSA-N 424.342 4.867 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1 587753273 UVKPBZJCSCPRDW-XYZCENFISA-N 404.239 4.601 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1 587753742 WPIBDZZKBJFRAG-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)N1 587754098 XOYHUDJGHBDHIG-WYRIXSBYSA-N 405.267 4.611 5 1 HJBF Nc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cn1 587039559 YSDLNLAOGDANMH-UHFFFAOYSA-N 420.479 4.876 5 1 HJBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N/c4cc[n+](C)cc4)cc-3oc2c1 71295353 WTSNJPUOXJLJQI-UHFFFAOYSA-N 409.513 4.989 5 1 HJBF COCCNc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1[N+](=O)[O-] 587262126 OSMVIUHTEWXCFN-UHFFFAOYSA-N 419.279 4.576 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1 587692099 JQUGBXIMKWUSMC-XYZCENFISA-N 413.674 4.948 5 1 HJBF NCCCc1cc2c(-c3ccccc3F)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 28956005 JAJVCBAAWHWWOX-UHFFFAOYSA-N 412.468 4.769 5 1 HJBF O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 35901229 VZRJCKBGDRUKFE-AWNIVKPZSA-N 400.394 4.501 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)O2 587377425 IDZHNKYLHBOITC-JOCHJYFZSA-N 423.856 4.630 5 1 HJBF COC(=O)c1ccc(Oc2ccc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3c2)cc1 587269512 FEIZXTUZKFKHSM-UHFFFAOYSA-N 417.421 4.835 5 1 HJBF O=[N+]([O-])c1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1 40918080 LVTLJEMOQDPDMD-UHFFFAOYSA-N 414.556 4.509 5 1 HJBF in-vitro C[N+](C)=c1ccc2c(-c3ccccc3C(=O)O)c3ccc4cc(O)ccc4c3oc-2c1 66074890 ZEKFAZQMEKIOGQ-UHFFFAOYSA-O 410.449 4.793 5 1 HJBF CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2c(C(=O)O)cccc12 587638035 IJMGMAIMPMDMIW-UHFFFAOYSA-N 423.208 4.925 5 1 HJBF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)c([N+](=O)[O-])c3)cc1)CC2 1857770086 YXRWQRMPAJOBTR-UHFFFAOYSA-N 420.465 4.543 5 1 HJBF CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1 26941667 RDWKCNLSNDYNMR-UHFFFAOYSA-N 422.510 4.687 5 1 HJBF O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3ccc(O)c1c23 586987349 NGQLTGAFFPSZBT-UHFFFAOYSA-N 413.345 4.635 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O 587432399 JXAGVICGODZWHR-GBXCKJPGSA-N 417.417 4.671 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1 587692098 JQUGBXIMKWUSMC-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1 587693223 MOXOJPLJCYQVSV-XYZCENFISA-N 413.674 4.948 5 1 HJBF Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1[N+](=O)[O-] 587026947 NTJQZLGSLQYKRC-BPAFIMBUSA-N 424.526 4.916 5 1 HJBF O=C(c1coc2cc([N+](=O)[O-])ccc12)C1CCN(C(=O)OCc2ccccc2)CC1 587280022 GZQGRIRRESLKBB-UHFFFAOYSA-N 408.410 4.573 5 1 HJBF CCOc1ccc(OCC)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587778028 HQHJTJHZTSXEEH-UHFFFAOYSA-N 406.236 4.698 5 1 HJBF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)CC2=O 587473529 XCBWIXBSYMETMT-XMMPIXPASA-N 418.449 4.744 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)N1 587752908 UNLWJRADIYASOT-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(C)[C@H](C)C2 962560556 CTNDMDQOWXQVPT-NSPYISDASA-N 410.392 4.597 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 587751435 MJICQMITJJGZSO-DYBLOJMWSA-N 405.223 4.866 5 1 HJBF COc1cc(C2(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CC2)ccc1C 587925757 PJHJQPAOKIUSLF-UHFFFAOYSA-N 402.248 4.631 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1[N+](=O)[O-] 587158188 GUZLSMTXVBRLSA-UHFFFAOYSA-N 418.344 4.524 5 1 HJBF O=[N+]([O-])c1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c([N+](=O)[O-])c1 587266115 ZYDALEFOVCGJQQ-UHFFFAOYSA-N 404.382 4.549 5 1 HJBF O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84758563 INJBLMHTCGIANQ-UHFFFAOYSA-N 421.884 4.878 5 1 HJBF CC1(C)Oc2cc(OC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)cc3)ccc2C[C@@H]1O 72176606 RHFQPJUHFZCFRM-QFIPXVFZSA-N 419.433 4.555 5 1 HJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1F 587139395 JHYTUTXOSRLZIX-UHFFFAOYSA-N 405.998 4.742 5 1 HJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])ccc1O 587860305 QNXJGOBYFYMZES-UHFFFAOYSA-N 422.224 4.558 5 1 HJBF CCCCC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 45245185 ZWBHPTXWWDKZFH-CYBMUJFWSA-N 415.515 4.693 5 1 HJBF NC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 95591608 NQBMWVZOZJOOQI-UHFFFAOYSA-N 412.854 4.729 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc3c(c2[nH]1)CCCC3 587264735 SJXZAKUEOOSIJF-CYBMUJFWSA-N 409.442 4.701 5 1 HJBF N[C@@H](Cc1cccc(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586983642 HEURUCUWDYORHP-AWEZNQCLSA-N 418.298 4.664 5 1 HJBF Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029352 MUKQWJUDUZDCGH-UHFFFAOYSA-N 424.489 4.809 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc([N+](=O)[O-])cc1CC2 587574982 HNNSQDIXNXSINS-XUZZJYLKSA-N 417.417 4.580 5 1 HJBF O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645508 XIOKVNHCQWFJCG-UHFFFAOYSA-N 400.259 4.927 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587748974 CKGNXIBBXRDXOO-NIVTXAMTSA-N 404.239 4.601 5 1 HJBF O=C1Nc2ccccc2[C@@H]1[C@@H](C(=O)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 84544606 JSRIHPSOTRAYNB-FCHUYYIVSA-N 411.417 4.779 5 1 HJBF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587049973 LCVLIQAVESOQBE-UHFFFAOYSA-N 409.627 4.512 5 1 HJBF C[C@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611656 HJHDJMWNOXJWNN-DNVCBOLYSA-N 417.826 4.892 5 1 HJBF C[C@]12O[C@H](C[C@@]1(C)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 13644715 HXGMCPSJILOUIU-IHMJZKOGSA-N 423.472 4.502 5 1 HJBF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(O)c1 587239893 APURJUUGDMXGNZ-UHFFFAOYSA-N 416.437 4.642 5 1 HJBF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccccc1)c1cc(C)ccc1[N+](=O)[O-] 963630168 CEIOQXYCUKRCBJ-CRICUBBOSA-N 418.493 4.747 5 1 HJBF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174600 FVLZNZDYTMWUAM-OKILXGFUSA-N 407.474 4.806 5 1 HJBF CCCn1cnc2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc(Br)c21 587004341 RKVSXLQIQYCNTB-UHFFFAOYSA-N 418.226 4.799 5 1 HJBF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O 587420940 JQBILWHLVLNADC-FDDCHVKYSA-N 421.836 4.948 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2c([N+](=O)[O-])cccc12 587575978 LQMBUWNZENSTNQ-XXBNENTESA-N 414.373 4.552 5 1 HJBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587928948 FFSZVHQEMVLDGM-KPZWWZAWSA-N 402.248 4.687 5 1 HJBF C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 29042958 SIGRYSLYWTWBMY-UHFFFAOYSA-N 401.574 4.670 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 587749900 ZZCZRDOMQYTIKL-MPBGBICISA-N 419.294 4.879 5 1 HJBF COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)c4c(cc3oc12)O[C@H](C)C4(C)C 15256084 NHUUFIXWOHZWLZ-GFCCVEGCSA-N 410.466 4.933 5 1 HJBF biogenic,in-vitro O=C(c1ccccc1)[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C(=O)Nc2ccccc21 73138695 JSRIHPSOTRAYNB-YADHBBJMSA-N 411.417 4.779 5 1 HJBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=C(O)C(C)(C)O4 204655056 ZBWKLVPFBGEKNN-UHFFFAOYSA-N 424.449 4.945 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)O2 587390504 QSEICEBIQVIRSY-QFIPXVFZSA-N 403.438 4.960 5 1 HJBF C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546909 RGXXBQLHXCTCTL-NQIIRXRSSA-N 411.797 4.831 5 1 HJBF C[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607351 LYZSWHYFOQAEPN-KNQAVFIVSA-N 423.446 4.813 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1 587744351 DHJDMOHDXNKBHS-JEOXALJRSA-N 421.266 4.519 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3c(c1)oc(=O)c1ccccc13)O2 587408045 KRRMTVOWVXJKRN-RUZDIDTESA-N 415.445 4.640 5 1 HJBF C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 34804462 IVNWIJDYWPYEER-UHFFFAOYSA-O 422.376 4.679 5 1 HJBF C[C@@]1(CCc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573942 DRABSCZJCWKVNJ-OFNKIYASSA-N 405.406 4.654 5 1 HJBF CC(C)CCOC(=O)C=Cc1ccc(C=CC(=O)OCCC(C)C)c([N+](=O)[O-])c1 2356844082 AVWRDQLIAURRJL-UHFFFAOYSA-N 403.475 4.800 5 1 HJBF Cc1c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cccc1[N+](=O)[O-] 66129456 BDVFIDABYATYHV-UHFFFAOYSA-N 423.523 4.959 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2=O 587472718 LMHQSVVAGXXHET-JOCHJYFZSA-N 410.470 4.950 5 1 HJBF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587329737 ALMQYOQZYISREG-GMAHTHKFSA-N 423.396 4.722 5 1 HJBF CNc1nc(-c2ccccc2)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1 95593895 CSSKMDOTUWJHLE-UHFFFAOYSA-N 404.455 4.961 5 1 HJBF Cc1nc(N[C@H]2CCOc3ccc([N+](=O)[O-])cc32)cc(-c2ccc3ncsc3c2)n1 205830541 DBLBKPDEASZLFX-INIZCTEOSA-N 419.466 4.906 5 1 HJBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586918020 VTWGYGUYVWXYRH-IVCQMTBJSA-N 408.461 4.876 5 1 HJBF COc1ccc2c(c1[N+](=O)[O-])-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586986868 GIYAVFYLOBNYGI-UHFFFAOYSA-N 410.385 4.640 5 1 HJBF FC(F)(F)c1cc(C2CC2)n(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)n1 587119390 UFELFKBFVQDHTC-UHFFFAOYSA-N 408.387 4.800 5 1 HJBF COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] 587331063 DDLAYWIHTOKFJD-NFBKMPQASA-N 423.396 4.722 5 1 HJBF CCS(=O)(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587271876 KGRWVNKRXBCFQF-UHFFFAOYSA-N 423.450 4.724 5 1 HJBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2Br)Oc2c1ccc1c2CCCC1 587495679 FGARMYRNZPWGAA-QGZVFWFLSA-N 402.244 4.943 5 1 HJBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(F)ccc(F)c2F)cc1NN1CCCCC1 15936811 NVVQVEISXJKAAU-UHFFFAOYSA-N 412.324 4.525 5 3 HJBF CCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 169337113 RUCDTKJUELSMCT-UHFFFAOYSA-N 403.322 4.877 5 1 HJBF Cc1c(Br)ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587266318 KRAJEBMDPQMAKU-VIFPVBQESA-N 420.223 4.623 5 1 HJBF O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1coc2ccccc12 587280872 FFEHSGSATGXLMO-UHFFFAOYSA-N 401.300 4.777 5 1 HJBF Cc1ccc(C(=O)N[C@H](CC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C(C)C)cc1 13553773 QJHAIHSQKPNUER-XMMPIXPASA-N 423.557 4.960 5 1 HJBF CCO[P@@](=O)(CC)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 169346818 XITIJGLLZSRAHY-LJAQVGFWSA-N 412.386 4.755 5 1 HJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)C2 103234816 RZKRJRKBQUAVOB-GBEXYDAJSA-N 408.459 4.886 5 1 HJBF O=C(CCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Cl)cn1 587080491 DEXASGRYCXZADZ-UHFFFAOYSA-N 401.857 4.913 5 1 HJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1F 587139843 PRDXQGUWZUZTKR-UHFFFAOYSA-N 415.562 4.601 5 1 HJBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512870 PFPCIOQQBBRUNU-VWLOTQADSA-N 414.461 4.965 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccccc2[N+](=O)[O-])N1 587745118 GIVICIVSNCZLQK-BLVKFPJESA-N 407.283 4.879 5 1 HJBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)ccc1OCCCc1ccccc1 587935777 FMNAIDUIDAMIBA-UHFFFAOYSA-N 417.259 4.865 5 1 HJBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccccc2)c1O 587944020 WCOOHKPFFJBMRU-UHFFFAOYSA-N 407.195 4.674 5 1 HJBF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCCC[N+](C)(C)Cc1ccccc1)C(=O)O 36338439 OFXLNPOJWCZAOJ-NCJDQSJGSA-O 415.598 4.734 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1OC)CC2=O 587472323 GPOKRHGOFIQRQU-JOCHJYFZSA-N 422.437 4.759 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691116 BZDIYSSRHMCFIJ-XYZCENFISA-N 413.674 4.948 5 1 HJBF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)c1cc(C)ccc1[N+](=O)[O-] 963630172 CEIOQXYCUKRCBJ-SSOJOUAXSA-N 418.493 4.747 5 1 HJBF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccccc1[N+](=O)[O-] 64503410 JQLRBWSLHFBWDQ-FQEVSTJZSA-N 412.405 4.728 5 1 HJBF O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1 4275918 ICGQHLNPIIAYBO-UHFFFAOYSA-N 400.803 4.765 5 3 HJBF aggregator Cc1cnc(Cl)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587057418 WIAFZTBREMLVRK-CYBMUJFWSA-N 422.272 4.608 5 1 HJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)nc1C(F)(F)F 587118842 QKIHAOIBNWSCIH-UHFFFAOYSA-N 423.301 4.680 5 1 HJBF COCCOc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587266015 TYDISVHWPIZTRG-UHFFFAOYSA-N 415.755 4.836 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587749213 CTKDNAQMCGRKGG-ZRNGKTOUSA-N 418.266 4.910 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1 587750481 ICAUNCPMXRQPDN-FKIZINRSSA-N 419.294 4.805 5 1 HJBF Cc1ccc([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1[N+](=O)[O-] 962961058 SHCZTDWBRCEMBR-HXUWFJFHSA-N 420.431 4.837 5 1 HJBF C=Cc1c2c(OC)c(OC)ccc2c2cc(CC)c3c4c(cc5c3c2[n+]1CC5)OCO4 1857543727 QWMBPVKDXXKPIP-UHFFFAOYSA-N 414.481 4.941 5 1 HJBF Cc1ccc(C(=O)N[C@@H](CC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C(C)C)cc1 13553774 QJHAIHSQKPNUER-DEOSSOPVSA-N 423.557 4.960 5 1 HJBF O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1 101507566 BCGGPZOEBPVQPT-AKAXFMLLSA-N 405.401 4.523 5 1 HJBF CC(C)c1nn(C)c2c1[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccccc1)NCC2 962903262 AAWBUQNRJZOJIE-QHCPKHFHSA-N 422.554 4.979 5 1 HJBF N=C=C(C(=N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 169718011 BPHMPXMBWQWNKU-NRFANRHFSA-N 418.478 4.660 5 1 HJBF Cc1c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979452 CTNZDRMOAIPWDV-UHFFFAOYSA-N 402.035 4.911 5 1 HJBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587147018 BOCAHQNIWSNUCL-UHFFFAOYSA-N 421.384 4.959 5 1 HJBF O=C1c2ccccc2-c2cc(-c3cc(F)cc([N+](=O)[O-])c3O)nc3ccc(O)c1c23 586988326 JSGBTZIZVKEYKV-UHFFFAOYSA-N 402.337 4.572 5 1 HJBF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587166812 AFRMAMGCOFNAOW-HNNXBMFYSA-N 403.801 4.633 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2c([N+](=O)[O-])cccc12 587575975 LQMBUWNZENSTNQ-AUSIDOKSSA-N 414.373 4.552 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 587750362 HXANVHTVDCAFMT-DYBLOJMWSA-N 404.239 4.601 5 1 HJBF Cc1c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)sc2ncnc(N3CCCCC3)c12 1857757847 MCTWZMNRRVZKGO-UHFFFAOYSA-N 422.470 4.615 5 1 HJBF CCN(CC)CCNc1ccc2c(ccc3c4cc(OC)c(OC)cc4cnc23)n1 49808085 WZABHROQWWBPHW-UHFFFAOYSA-N 404.514 4.707 5 1 HJBF Cc1cc2[nH]c(/C=C\c3cccc(I)c3)nc2cc1[N+](=O)[O-] 587183751 IJELZKYFHVHEFA-WAYWQWQTSA-N 405.195 4.555 5 1 HJBF O=C1C[C@@H](c2cc(Br)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587496045 GQTUHSHQMBNYIR-SFHVURJKSA-N 402.244 4.943 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1 587701984 YMNDXGSKWCUKDG-HUTHGQBESA-N 413.674 4.948 5 1 HJBF O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587337621 BTSMBLWMPQSLTH-JTHBVZDNSA-N 419.364 4.600 5 1 HJBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952960 KAJSFGAQGOIKNT-HXUWFJFHSA-N 420.431 4.837 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Br)cc3F)[nH]c12 587142718 MAVNKISVOZWOHL-UHFFFAOYSA-N 415.016 4.802 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1 587692854 LXTPMVWUBIPSNP-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1 587697685 ORIRBCLUHKSMJO-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nccs1)c1cccc2ccccc12 29228972 IFXLSJSHQRUAHB-FQEVSTJZSA-N 403.463 4.918 5 1 HJBF Cc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1C 587053834 HBGFNJUPUSTSIO-SFHVURJKSA-N 400.866 4.868 5 1 HJBF Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587269820 RCJNDKKCXBQXQY-UHFFFAOYSA-N 401.264 4.809 5 1 HJBF CCCOc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1 27108771 JUGXXRTVSUKKCK-UHFFFAOYSA-N 409.490 4.710 5 1 HJBF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)c([N+](=O)[O-])c3)c12 96168068 KWHBHZUUFFYOFC-UHFFFAOYSA-N 401.426 4.947 5 1 HJBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577945 UYWWDZQYLZEFJD-NFBKMPQASA-N 405.406 4.958 5 1 HJBF O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 43011813 XWQTXZRHBVUMCB-HKUYNNGSSA-N 419.890 4.540 5 1 HJBF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586935708 JWDIUPMBFKEYRS-UHFFFAOYSA-N 404.495 4.551 5 1 HJBF Fc1ccc(-n2nnc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2C2CC2)cc1 587168676 LIKRLPQBVCSVSD-UHFFFAOYSA-N 421.439 4.924 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn13)O2 587391847 ZKVNYKGMQGNIAL-IBGZPJMESA-N 414.421 4.507 5 1 HJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc([N+](=O)[O-])c1O 587859142 BYKBSIVBSFGLHN-UHFFFAOYSA-N 422.224 4.558 5 1 HJBF C[C@H](O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1 103239761 BRBXDSJWXHVEHB-VIFPVBQESA-N 401.253 4.575 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1 587704418 UBQZVDDKZAZICF-HUTHGQBESA-N 413.674 4.948 5 1 HJBF O=[N+]([O-])c1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 3639583 WFUOVHQCFNMJNL-UHFFFAOYSA-N 405.285 4.767 5 1 HJBF COc1ccccc1CNc1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174776 MPVNKFZDGSVHFW-UHFFFAOYSA-N 417.425 4.636 5 1 HJBF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587039848 VZYIWGLXOCGTBZ-UHFFFAOYSA-N 419.470 4.525 5 1 HJBF CSc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587053967 HYZUOOCSYIKSKI-KRWDZBQOSA-N 418.906 4.974 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 587261631 CUIDRBCBAVDEJD-LBPRGKRZSA-N 412.446 4.515 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)[C@@H](C2)C3=O 587452865 PWCSPXMEKSKCGA-HTAPYJJXSA-N 423.446 4.977 5 1 HJBF COC(=O)c1c(C(=O)OC)c2c3ccccc3n(C)c2c2c1c1ccccc1n2C 1858285 LPMNDVFJSGXBLR-UHFFFAOYSA-N 400.434 4.550 5 1 HJBF COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c4occc4c3c2cc1OC 28522980 GAGLVFIRCATJGJ-UHFFFAOYSA-N 404.442 4.751 5 1 HJBF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587027687 FWTGKFHJZBOOSQ-UHFFFAOYSA-N 404.249 4.661 5 1 HJBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135540 PJQWBBXHZLZUEB-HOTGVXAUSA-N 423.517 4.524 5 1 HJBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Cl 587048070 PSVNMLKPTHANBK-QHHAFSJGSA-N 423.610 4.966 5 1 HJBF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] 587330477 BSLHEWMKEHJOTE-FYYLOGMGSA-N 423.396 4.722 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3c([N+](=O)[O-])cccc23)N1 587750287 HKAJKCIBOIHCQH-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1c2ccccc2Oc2ccccc21 1772631785 OSOYDRWZWXXNQX-UHFFFAOYSA-N 416.437 4.781 5 1 HJBF COc1cc2c(cc1OC)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125429 RAENNXQWJIKCTR-UHFFFAOYSA-N 421.409 4.597 5 1 HJBF Cc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1 35901580 MINCGYPEMCVSCT-AWNIVKPZSA-N 414.421 4.809 5 1 HJBF Cc1nn(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c(C)c1Cl 587065727 WNSLNGJJIOMAJR-UHFFFAOYSA-N 412.793 4.502 5 1 HJBF C[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331482 HKIQFUMJDBWGOL-RBBKRZOGSA-N 411.360 4.853 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587748047 RYYUUOFTWFOFQF-MLCYQJTMSA-N 409.255 4.519 5 1 HJBF 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O=[N+]([O-])c1cc(Br)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587081411 VFRYTQJIQBZMQD-UHFFFAOYSA-N 405.639 4.890 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(SC)cc2[nH]1 587261288 ALYZOIMOSUJVKH-LLVKDONJSA-N 401.444 4.544 5 1 HJBF CSC1=N[C@H]2/C(=C(\O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1 169302113 WASSYUHVCUFIGT-PWVLXBNSSA-N 407.517 4.892 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O 587417963 FXFUNPBEEURTKT-QKKBWIMNSA-N 410.813 4.536 5 1 HJBF CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C)CCC[C@]23C)C1 299841454 ZWXGQGCKQDMPAM-BKWPBFPZSA-N 422.674 4.892 5 1 HJBF O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1F 587081912 YAEXBSUHXKTKIJ-UHFFFAOYSA-N 408.780 4.640 5 1 HJBF C[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607352 LYZSWHYFOQAEPN-SIKLNZKXSA-N 423.446 4.813 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587749100 XAUIQQHKIGHINY-YPMLDQLKSA-N 409.255 4.519 5 1 HJBF CCc1cc(CC)nc(OCCCn2c3c(c4cc([N+](=O)[O-])ccc42)CCCC3)n1 95572227 HIBVCYBQWSXCCJ-UHFFFAOYSA-N 408.502 4.812 5 1 HJBF CCN1C(=O)C[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061473 MDYWBBNOYHBMNG-ZMZPIMSZSA-N 419.268 4.855 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)c4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587433050 MKLQIKCMRAEAMW-MHECFPHRSA-N 416.433 4.860 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc([N+](=O)[O-])c1)C1CC1 587577261 RLZJSBQDYXKHIC-REWPJTCUSA-N 403.390 4.568 5 1 HJBF CCOc1ccc2[nH]c3cc(NCc4ccc(OC)cc4OC)ccc3c(=N)c2c1 1772614294 PVEJANUPMQODSU-UHFFFAOYSA-N 403.482 4.829 5 1 HJBF O=C(Nc1cccc(N2CCC(Cc3ccccc3)CC2)c1)c1ccc([N+](=O)[O-])o1 27100137 ONKCGCVIYSWESU-UHFFFAOYSA-N 405.454 4.899 5 1 HJBF COc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587095878 YJKKAXYWALBOGK-UHFFFAOYSA-N 416.153 4.928 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc([N+](=O)[O-])c1C 587865755 HSOPIXPQYOBKLJ-UHFFFAOYSA-N 419.359 4.873 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)O2 587377426 IDZHNKYLHBOITC-QFIPXVFZSA-N 423.856 4.630 5 1 HJBF COc1ccc(/C=C\Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(OC)c1 587929748 PMNVDVHDXCXMFR-ARJAWSKDSA-N 418.247 4.507 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1 587751232 LLOIQQDVFDIWNF-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751421 MGYNLWBLPJXIRQ-GIGQVBGESA-N 418.266 4.775 5 1 HJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(F)cc4)c3oc2c1OC 96932325 YDNMPJWFMFAVDH-UHFFFAOYSA-N 410.397 4.787 5 1 HJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)C2 101420164 RZKRJRKBQUAVOB-QZTJIDSGSA-N 408.459 4.886 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077526 VRKOIOKBPYUGQB-ZDUSSCGKSA-N 421.638 4.504 5 1 HJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263033 JKJRIMDTTIXGDM-SNPRPXQTSA-N 420.494 4.500 5 1 HJBF C[C@@]1(CCc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573943 DRABSCZJCWKVNJ-REWPJTCUSA-N 405.406 4.654 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3c([N+](=O)[O-])cccc23)N1 587752650 SPQVZTNQGPGVPC-MGNBDDOMSA-N 416.250 4.668 5 1 HJBF O=c1[nH]c(=O)c2c(-c3ccccc3)c3c(c(-c4ccccc4)c12)c(=O)c1ccccc13 96929807 PWFFMWSIHCPLAV-UHFFFAOYSA-N 401.421 4.765 5 1 HJBF CN(C)CCCNc1c2ccccc2nc2c1oc1cc(OCCCN(C)C)ccc12 1772615627 PEBBTJUSNSDPFS-UHFFFAOYSA-N 420.557 4.828 5 1 HJBF COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 100812714 IHYDROZCUNAQKC-ORSDNESESA-N 420.465 4.688 5 1 HJBF O=[N+]([O-])c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F 586984780 IVVKYQWCIFJVIU-KRWDZBQOSA-N 419.254 4.558 5 1 HJBF CC(C)Oc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br 587158768 IJNHTCVIWCDDEE-UHFFFAOYSA-N 424.226 4.739 5 1 HJBF CC1CCN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149745 XTFNXOQMTUZKGJ-UHFFFAOYSA-N 423.517 4.669 5 1 HJBF Cc1c2c(c3oc4c(C(=O)O)c(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@@H](C)[C@@H]2C 2356412200 KHKBBPWTNDAWPC-MMSPYSMKSA-N 424.449 4.687 5 1 HJBF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1 587126451 XDKCKGJGZBDATJ-YPMLDQLKSA-N 423.402 4.830 5 1 HJBF CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587645952 GCMUZPWCGSYMLJ-UHFFFAOYSA-N 406.316 4.508 5 1 HJBF O=c1oc(Nc2ccccc2I)nc2cc3ccccc3cc12 13779153 AEMRKAJMXFCCAC-UHFFFAOYSA-N 414.202 4.689 5 1 HJBF N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12 587259034 PIYPALZNTCYACG-HNNXBMFYSA-N 411.259 4.629 5 1 HJBF CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587390350 PTVVCILVLYNEEY-CWTRNNRKSA-N 414.458 4.625 5 1 HJBF C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC2c3ccccc3C1c1ccccc12 5530943 RWELAKLWFPYJLK-HTIOENIKSA-N 400.434 4.926 5 1 HJBF in-vitro COc1ccc(Nc2ncccc2C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 73199191 PPBRNQILPCBHQS-UHFFFAOYSA-N 421.438 4.604 5 1 HJBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134382 XPSWVXYXDRQZOY-MGPUTAFESA-N 423.517 4.715 5 1 HJBF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1cccc([N+](=O)[O-])c1)CCCCC3 103223299 PGBMTUBXBDSLQX-UHFFFAOYSA-N 420.469 4.541 5 1 HJBF C[C@@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549240 ZBDJJLDXFBYEQL-NQIIRXRSSA-N 411.797 4.831 5 1 HJBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc([N+](=O)[O-])cc3[nH]1)N2 587030797 ILDLLNOMKDNEFU-IXIHQHOXSA-N 415.500 4.598 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(Br)cc3F)[nH]c12 587142543 DUWCKSMLXJYHIS-UHFFFAOYSA-N 415.016 4.802 5 1 HJBF CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2cc([N+](=O)[O-])ccc12 587645858 MOKWPLADWBOXOU-UHFFFAOYSA-N 407.195 4.821 5 1 HJBF Cc1c2c(c3oc4c(C(=O)O)c(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@H](C)[C@@H]2C 2356412198 KHKBBPWTNDAWPC-LDDIKCJXSA-N 424.449 4.687 5 1 HJBF O=C1C[C@H](c2ccc([N+](=O)[O-])c(Br)c2)Oc2c1ccc1c2CCCC1 587505085 UISIYTHZRFMRLY-GOSISDBHSA-N 402.244 4.943 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 587749904 ZZCZRDOMQYTIKL-YUNKPMOVSA-N 419.294 4.879 5 1 HJBF C[C@@H](OC(=O)c1c(F)cccc1F)c1cccc2nc3c(C(=O)O)cccc3nc12 29467164 LLMVYUPMRUJQGP-LLVKDONJSA-N 408.360 4.677 5 1 HJBF CCc1c(Cc2cc(C)cc(C)c2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 40405132 IHRQEOSQRUAMIL-UHFFFAOYSA-N 409.511 4.740 5 1 HJBF COc1cc(C(=O)Nc2ccc(-c3cccs3)cc2[N+](=O)[O-])cc(OC)c1OC 82152246 SJJCHGCUWOQGAQ-UHFFFAOYSA-N 414.439 4.601 5 1 HJBF COc1ccc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c([N+](=O)[O-])c1 587623550 WGCGJTMDUMUTEQ-UHFFFAOYSA-N 401.220 4.699 5 1 HJBF C[N+](C)(C)c1cccc(C(=O)OCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 27084443 YFSVXDVPGCVAGH-UHFFFAOYSA-N 410.494 4.774 5 1 HJBF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1 587126445 XDKCKGJGZBDATJ-MGNBDDOMSA-N 423.402 4.830 5 1 HJBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1c([N+](=O)[O-])ccc(O)c1F 587622827 URCDTJYLPSFOTA-UHFFFAOYSA-N 405.183 4.535 5 1 HJBF CSC1=N[C@H]2/C(=C(\O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1 169302192 HDOFHDIMICWWKS-IBOXJLQUSA-N 407.517 4.892 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1Br)CC2=O 587455364 BBIWWVXLIDMMBR-QGZVFWFLSA-N 406.232 4.722 5 1 HJBF CCOC(=O)CCOCCCOCCc1nc2c3ccccc3c3ccccc3c2[nH]1 587569634 RQGOHWHVSUCUSF-UHFFFAOYSA-N 420.509 4.788 5 1 HJBF O=[N+]([O-])c1ccc([C@]2(c3ccccn3)NCCc3c(Cl)cc(Cl)cc32)cc1 963110212 MSWYZRCCAMWPLB-FQEVSTJZSA-N 400.265 4.734 5 1 HJBF CN(C)c1cccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)c1 42891482 QGQYWSAOKUFFKJ-UHFFFAOYSA-N 402.587 4.837 5 1 HJBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586881604 WRUMDYCNWYJJLX-UHFFFAOYSA-N 418.365 4.720 5 1 HJBF O=[N+]([O-])c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1F 587166361 RCXGNRGIHNIIOO-UHFFFAOYSA-N 411.393 4.716 5 1 HJBF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587234083 WQJMSGCTJUDYHY-UONOGXRCSA-N 403.486 4.820 5 1 HJBF Cc1sc2c(c1C)CCN[C@@]2(C[C@@H]1CCC[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 963032999 WFQSELCNRFHLIJ-LYLBAIIYSA-N 414.527 4.553 5 1 HJBF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] 587330478 BSLHEWMKEHJOTE-GGAORHGYSA-N 423.396 4.722 5 1 HJBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(F)cc(F)cc2F)cc1NN1CCCCC1 15936822 XCUGOVYVXJBQPK-UHFFFAOYSA-N 412.324 4.525 5 3 HJBF COc1cc(/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587046714 KNSKDDHGOOQNJC-PLNGDYQASA-N 402.838 4.733 5 1 HJBF COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587646360 PUPKSMSUBWCZDU-UHFFFAOYSA-N 411.172 4.545 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1 587693221 MOXOJPLJCYQVSV-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)N1 587750783 JMCHIDZJMVQERN-WLRWDXFRSA-N 405.267 4.611 5 1 HJBF O=[N+]([O-])c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1 66111718 BIMRRHJIGBDAAY-UHFFFAOYSA-N 419.325 4.959 5 1 HJBF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(NC(C)(C)C)c([N+](=O)[O-])cc3C(=O)C[C@H]21 103290370 BBXIMORTXNQRFS-STZQEDGTSA-N 402.491 4.629 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 587743328 AMBXJMBSTSVZMY-ODXCJYRJSA-N 419.294 4.879 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccccc2[N+](=O)[O-])N1 587744310 CYGVBPLIPWZGAU-CWTRNNRKSA-N 407.283 4.879 5 1 HJBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135128 DCKAAANSMIQQRW-CVEARBPZSA-N 423.517 4.524 5 1 HJBF COc1cc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-] 587263383 SIZMNBPKZIYZOD-UHFFFAOYSA-N 417.727 4.611 5 1 HJBF COc1ccc([C@@H]2[C@@H](CCOc3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1 28264202 CCHNQKZHMSAKSK-DHIUTWEWSA-N 418.449 4.777 5 1 HJBF FC(Br)(Br)c1nc2c3cccnc3c3ncccc3c2[nH]1 587087712 SZRWONCPUSMTNV-UHFFFAOYSA-N 410.044 4.529 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)O2 587389172 JLYFRNFGLCSASP-DEOSSOPVSA-N 418.449 4.945 5 1 HJBF COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cc([N+](=O)[O-])c(C)o5)nc4c3)o2)cc1 587269625 WSJNPXJWMPFARD-UHFFFAOYSA-N 417.381 4.765 5 1 HJBF COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(C)[C@@H](C)C2 962560558 CTNDMDQOWXQVPT-WLRWDXFRSA-N 410.392 4.597 5 1 HJBF COCCNc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587261780 ITTKPNOOKMATPK-UHFFFAOYSA-N 414.771 4.869 5 1 HJBF C[C@@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611658 HJHDJMWNOXJWNN-KXBFYZLASA-N 417.826 4.892 5 1 HJBF COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747956 SYQJSQGIXMMQRR-JEOXALJRSA-N 423.282 4.611 5 1 HJBF Cc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1C 587053831 HBGFNJUPUSTSIO-GOSISDBHSA-N 400.866 4.868 5 1 HJBF Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587269287 KYSCRGDSGJCFMH-UHFFFAOYSA-N 401.264 4.809 5 1 HJBF O=C1C[C@@H](c2c(Br)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587498142 FPOGFWJJENPLSO-KRWDZBQOSA-N 402.244 4.943 5 1 HJBF C[C@]1(COc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333757 IBBVYCHBGOTPMB-FYYLOGMGSA-N 423.396 4.636 5 1 HJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C2 101420161 LWIJJMUZDJEHEX-FGZHOGPDSA-N 408.459 4.886 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1 587750484 ICAUNCPMXRQPDN-MPBGBICISA-N 419.294 4.805 5 1 HJBF N=c1sc(-c2ccc([N+](=O)[O-])cc2)nn1-c1c(Cl)cc(Cl)cc1Cl 29465913 CZQQOJWIJQQSNF-UHFFFAOYSA-N 401.662 4.949 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc([N+](=O)[O-])c1)CC2=O 587457807 NQTLNNMDMVWECA-KRWDZBQOSA-N 406.232 4.722 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1OC)CC2=O 587472324 GPOKRHGOFIQRQU-QFIPXVFZSA-N 422.437 4.759 5 1 HJBF O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnc2)c(C(F)(F)F)c1 66074492 BLIKYFJUFLIANE-OALUTQOASA-N 403.360 4.793 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1 587691516 CCSUQFOVLMJFFQ-XYZCENFISA-N 413.674 4.948 5 1 HJBF COc1cc2oc3c4c(cc(O)c3c(=O)c2c2c1OC(C)(C)CC2)OC(C)(C)CC4 43012358 AIKPPNPGDULNGJ-UHFFFAOYSA-N 410.466 4.868 5 1 HJBF biogenic CC1(C)Oc2cc(OC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)cc3)ccc2C[C@H]1O 72176605 RHFQPJUHFZCFRM-JOCHJYFZSA-N 419.433 4.555 5 1 HJBF COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] 587331066 DDLAYWIHTOKFJD-REWPJTCUSA-N 423.396 4.722 5 1 HJBF C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])c2ccc(F)cc2C[C@H]2CCCN21 963119064 YXQIJFQZODKWLL-YLJYHZDGSA-N 419.294 4.975 5 1 HJBF COc1cc2c3c(c4ccc(OC(C)=O)cc4c2cc1OC)CN1CCCC[C@H]1C3 1772656566 IZFIJVMPRSKKEC-INIZCTEOSA-N 405.494 4.846 5 1 HJBF Cc1cn(S(=O)(=O)c2ccccc2)c2c(OCc3ccccc3)cc([N+](=O)[O-])cc12 1655811 GHUZHMBTWSSKMB-UHFFFAOYSA-N 422.462 4.674 5 1 HJBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134375 XPSWVXYXDRQZOY-QRWLVFNGSA-N 423.517 4.715 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751661 NLEACTGILDQUMI-LZVRBXCZSA-N 404.239 4.601 5 1 HJBF FC(Br)(Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587087941 ZFKDVHLVUYEQHF-UHFFFAOYSA-N 410.044 4.529 5 1 HJBF CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12 73129367 LWTADAMFYPAGKS-UHFFFAOYSA-N 410.315 4.528 5 1 HJBF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587749506 YUCOXPHUMNYWPH-YPMLDQLKSA-N 409.255 4.519 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587752656 SPUHUJUMHXZKKQ-HOGDKLEQSA-N 418.266 4.910 5 1 HJBF CC(C)c1cc2c(=O)c3c(O)cc4c(c3oc2c2c1[C@@](C)(O)CC2=O)C=CC(C)(C)O4 2356665157 WPRLLLRHSAWLQN-VWLOTQADSA-N 420.461 4.753 5 1 HJBF CCOc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC 586978393 QMQGWMXERBXDKQ-BQYQJAHWSA-N 418.247 4.811 5 1 HJBF O=Cc1cc(Br)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 586981412 BRADCLQOFBDGRK-UHFFFAOYSA-N 403.239 4.901 5 1 HJBF COc1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261033 QEHUDSLMQQBHSN-UHFFFAOYSA-N 406.236 4.535 5 1 HJBF CCOc1cc2c3cc(OC)c(OC)cc3c(C)[n+](C)c2c2cc(OC)c(OC)cc12 26580204 OHEFHVFPKXDTQT-UHFFFAOYSA-N 422.501 4.712 5 1 HJBF O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 95574375 YWSAMOFKQPMTKN-UHFFFAOYSA-N 411.465 4.532 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587017578 NOPOGEYAACPKDA-UHFFFAOYSA-N 405.233 4.541 5 1 HJBF Cc1ccc2c(ccc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c32)n1 587268273 ZPJYPVOYCNYCRP-UHFFFAOYSA-N 412.453 4.856 5 1 HJBF CN(C)CCn1c2ccccc2c2c3c(c4cc5ccccc5cc4c21)C(=O)N(C)C3=O 28520364 DNFBAHJBBYAYSA-UHFFFAOYSA-N 421.500 4.888 5 1 HJBF O=C(c1ccccc1)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587269003 GRSFQIQDLKLNPX-UHFFFAOYSA-N 412.449 4.969 5 1 HJBF O=c1nc(N2CCOCC2)oc2c1cc(-c1cccc3ccccc13)c1ccccc12 1772645362 VVVZOOLDBZRLOX-UHFFFAOYSA-N 408.457 4.998 5 1 HJBF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]1C2 26488115 SWQYKNGOJHUSRH-CPLSZEFVSA-N 414.502 4.577 5 1 HJBF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccccc1[N+](=O)[O-] 104038964 CWRKUHYZUMTQMR-AWEZNQCLSA-N 412.471 4.662 5 1 HJBF Cc1sc2c(c1C)CCN[C@@]21c2cc([N+](=O)[O-])ccc2-c2noc(C(C)(C)C)c21 963005724 FOJBKKWKQXRRCO-JOCHJYFZSA-N 409.511 4.977 5 1 HJBF N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1nc(-c2ccccc2)cs1 98082559 SUVTYQVDPVJCMY-UDIJICLVSA-N 408.464 4.774 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)c(F)cc2[nH]1 587261337 BCKLYWRXCWELOS-VIFPVBQESA-N 407.785 4.615 5 1 HJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4cccc(C)c4)c3oc2c1OC 96933711 WKZYOMVPEBXLFN-UHFFFAOYSA-N 406.434 4.956 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1 587750485 ICAUNCPMXRQPDN-ODXCJYRJSA-N 419.294 4.805 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077584 XFVUSKWFAAXAGG-CQSZACIVSA-N 421.638 4.504 5 1 HJBF CCCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147949 BONZRQLSFPBFAU-BEFAXECRSA-N 411.506 4.572 5 1 HJBF C[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540904 CCQORSMAAXYZGF-RXVVDRJESA-N 411.797 4.831 5 1 HJBF CC[N+](C)(CC)CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 29214101 VJARIUGXGQNXSL-UHFFFAOYSA-O 400.570 4.598 5 1 HJBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586918025 VTWGYGUYVWXYRH-PUAOIOHZSA-N 408.461 4.876 5 1 HJBF CN1CCc2c(Br)cccc2[C@@]1(c1ccccc1[N+](=O)[O-])C(F)(F)F 963289496 ODWPUBRAXPLFCJ-MRXNPFEDSA-N 415.209 4.651 5 1 HJBF CCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccccc4)c(-c4ccccc4)nc3ccc21 169308503 CQDQQVCYOSJOIQ-UHFFFAOYSA-N 421.456 4.997 5 1 HJBF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)CC2=O 587472708 LGAYUMXHGRUCMJ-DEOSSOPVSA-N 418.449 4.744 5 1 HJBF COC(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587512194 VLQFILXEBBIYCZ-QFIPXVFZSA-N 410.426 4.533 5 1 HJBF CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645796 DGPJFRPYKAQEFF-UHFFFAOYSA-N 406.316 4.508 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1 587696214 DOAQFENLBQILRE-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF O=C(O)c1ccccc1C(=O)c1ccc(Nc2cccc3cccnc23)c([N+](=O)[O-])c1 1911574004 RIDPKYHISYTRLF-UHFFFAOYSA-N 413.389 4.816 5 1 HJBF N[C@H](Cc1cccc(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586983643 HEURUCUWDYORHP-CQSZACIVSA-N 418.298 4.664 5 1 HJBF O=[N+]([O-])c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587196890 YMYYKJIICMRAFE-UHFFFAOYSA-N 403.398 4.586 5 1 HJBF CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587643634 HLMBGVNQICJZKD-UHFFFAOYSA-N 403.232 4.611 5 1 HJBF C[n+]1c2cc(Cl)ccc2c(NC2CCNCC2)c2[nH]c3cc(Cl)ccc3c21 64573190 IWLBWAKAZCNTBS-UHFFFAOYSA-O 400.333 4.770 5 1 HJBF O=[N+]([O-])c1ccc([C@H]2CC(c3ccccc3)=NN2c2ncc(Br)cn2)cc1 84729970 WQTVTQJUMUYDBZ-GOSISDBHSA-N 424.258 4.503 5 1 HJBF CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963106346 MZDWBBMABQJEQE-IVZQSRNASA-N 423.444 4.502 5 1 HJBF COc1ccccc1CN(C)CCCOc1ccc2c(=O)c3ccccc3oc2c1 28641825 VQPIMTWJBHRDFH-UHFFFAOYSA-N 403.478 4.856 5 1 HJBF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCCC[N+](C)(C)Cc1ccccc1)C(=O)O 36338440 OFXLNPOJWCZAOJ-YVUGPFRESA-O 415.598 4.734 5 1 HJBF O=C1CCc2cc3nc(-c4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)[nH]c3cc2N1 587272961 YDHLJMBGHBGDOZ-UHFFFAOYSA-N 400.394 4.815 5 1 HJBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)cc1[N+](=O)[O-])CC2=O 587459440 WWFYFNAPQJAOEM-LJQANCHMSA-N 420.259 4.896 5 1 HJBF COCCNc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 587264259 FIMQCSZDKGZENW-UHFFFAOYSA-N 418.453 4.775 5 1 HJBF COc1cccc(-c2cc(-c3cc([N+](=O)[O-])nn3C)nc3c2oc2ccccc23)c1 587362245 GBJKLIUTISZBAH-UHFFFAOYSA-N 400.394 4.965 5 1 HJBF COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])CC(=O)c3cc(C)cc(N)c3O2)cc1 587389678 MZIBOAYKHWNFRG-DEOSSOPVSA-N 418.449 4.597 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c([N+](=O)[O-])cccc2cn1 587576914 QEUARVZBDMPXON-NZQKXSOJSA-N 414.373 4.552 5 1 HJBF O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645452 VWFSWSURGUBRBF-UHFFFAOYSA-N 400.259 4.927 5 1 HJBF Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745656 ICTUYUIBZWUIFM-HXPMCKFVSA-N 407.283 4.797 5 1 HJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@@H](OC)CCN1C3 95553924 COSZPIQUEIQJCE-WBVHZDCISA-N 407.510 4.554 5 1 HJBF COc1cc([C@@H]2c3cccc([N+](=O)[O-])c3N[C@H](c3ccc(O)cc3)[C@H]2C)ccc1O 96913164 FWNISRBOWNMTFS-QYDGOFIISA-N 406.438 4.949 5 1 HJBF O=C(COc1ccccc1)N1CCCC[C@H]1c1ncc(-c2cccc([N+](=O)[O-])c2)s1 299858719 STIOHFGIGRIPDW-IBGZPJMESA-N 423.494 4.851 5 1 HJBF Cc1nc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2cc1Br 587110198 VUNVXEDUENCLQG-UHFFFAOYSA-N 415.169 4.547 5 1 HJBF C[C@]1(c2cc([N+](=O)[O-])ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327978 AAPVIXLCDMPARG-RBBKRZOGSA-N 411.360 4.853 5 1 HJBF C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333852 NOPFYMTXQBVKOE-IFMALSPDSA-N 411.360 4.853 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(F)cc1[N+](=O)[O-])CC2=O 587464874 CBLOCYTXAVNAPZ-KRWDZBQOSA-N 424.222 4.861 5 1 HJBF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587749502 YUCOXPHUMNYWPH-MGNBDDOMSA-N 409.255 4.519 5 1 HJBF COc1c(O)c(CC=C(C)C)cc2oc3c4c(cc(O)c3c(=O)c12)O[C@@H](C)C4(C)C 238786415 YJTIKPJVPVRZFK-LBPRGKRZSA-N 410.466 4.933 5 1 HJBF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(Cl)c1 587071548 NZGDBKCRHRYASU-MRXNPFEDSA-N 416.865 4.933 5 1 HJBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1Cl 587653432 HKCFIMFPBJFXMN-UHFFFAOYSA-N 413.767 4.893 5 1 HJBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2cccc(Cl)c2)c1O 587937693 WAYBFDLJKGURQU-UHFFFAOYSA-N 409.623 4.880 5 1 HJBF O=[N+]([O-])c1ccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c([N+](=O)[O-])c1 587264580 NWGWDKDBTGUSKN-UHFFFAOYSA-N 404.382 4.549 5 1 HJBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587269715 ZMXOCJPDHSIWNI-UHFFFAOYSA-N 402.439 4.755 5 1 HJBF CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646163 KSGYYKCZHXQRPE-UHFFFAOYSA-N 406.316 4.508 5 1 HJBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cc(F)c(Br)cc3F)c2O)cc1 587943578 JLVZPZJYRKGQGO-UHFFFAOYSA-N 411.158 4.504 5 1 HJBF CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148314 XIZKWAWVFHODKQ-KHYOSLBOSA-N 411.506 4.571 5 1 HJBF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587233575 SUPOOPHTCWBVSI-BBRMVZONSA-N 403.486 4.820 5 1 HJBF COc1ccc2c(=O)c3c(sc2c1)c1cc(Cl)ccc1n3CCCN(C)C 43025374 ADNUYZUDDBYPQB-UHFFFAOYSA-N 400.931 4.983 5 1 HJBF O=C1CCc2cc3[nH]c(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc3cc2N1 587272572 VPKJQSNAMLUTLZ-UHFFFAOYSA-N 400.394 4.815 5 1 HJBF O=c1c2scc([N+](=O)[O-])c2nc(/C=C/c2ccc(F)cc2)n1Cc1ccccc1 1857544622 RNWHXBBHPCDWNP-DHZHZOJOSA-N 407.426 4.724 5 1 HJBF O=[N+]([O-])c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1F 586984786 IVVKYQWCIFJVIU-QGZVFWFLSA-N 419.254 4.558 5 1 HJBF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 963133933 UYNHHYQMXQQIBI-OAQYLSRUSA-N 424.840 4.974 5 1 HJBF O=[N+]([O-])c1cc(Br)ccc1-c1c[nH]c(Br)c1Br 238737814 GIIXXLZXPSJPJW-UHFFFAOYSA-N 424.874 4.877 5 1 HJBF C[C@@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576562 OYHMMOAJBQNGBA-REWPJTCUSA-N 417.373 4.924 5 1 HJBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586915537 FSROJBRMGPEOEM-CJAUYULYSA-N 408.461 4.876 5 1 HJBF CN(C)C(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587271516 DTOLLSSXBCXJNI-UHFFFAOYSA-N 402.410 4.632 5 1 HJBF CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587645133 WXVUWNJSCUQNFG-UHFFFAOYSA-N 407.209 4.796 5 1 HJBF Cn1c2nc(-c3ccccc3)nc(=O)c-2c(NCCc2ccccc2)c2ccccc21 40414273 YDCPLEZETWQRMU-UHFFFAOYSA-N 406.489 4.755 5 1 HJBF COc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(Cl)cc1)c1ccc(F)cc1F 66098359 ZBXANAWPZWTDGK-KRWDZBQOSA-N 423.803 4.690 5 1 HJBF O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1 587217355 CKDOQTHGPAISHV-LJQANCHMSA-N 406.829 4.644 5 1 HJBF C[C@@]1(c2cccc([N+](=O)[O-])c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332574 LWLSAMPJFNZFOL-KNQAVFIVSA-N 411.360 4.853 5 1 HJBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccccc4[N+](=O)[O-])s1)[C@@H](C2)C3=O 587449652 GINVNTKLYPIRPF-OYHNWAKOSA-N 407.447 4.995 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1 587712738 ABILRHGIUNFWGV-QZTNRIJFSA-N 417.637 4.913 5 1 HJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc(I)c3[nH]2)c1F 587139912 SKQJFSSBSVVWFM-UHFFFAOYSA-N 417.565 4.535 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc([N+](=O)[O-])c2n1 587578259 VQBJHWORZXGEMB-CVDCTZTESA-N 414.373 4.552 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1 587701990 YMNDXGSKWCUKDG-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587748707 VVQLCVUSGCBPBL-JEOXALJRSA-N 423.282 4.693 5 1 HJBF O=[N+]([O-])c1cccc(CNCC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 45193892 ROZSRBYUTCQYQG-UHFFFAOYSA-N 408.329 4.903 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1 587747876 QMWBKWMAEKNOLT-WYRIXSBYSA-N 405.267 4.684 5 1 HJBF CC(C)(c1ccc([N+](=O)[O-])cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574672 GFWIGIDRLRSJLA-YKSBVNFPSA-N 419.433 4.999 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587109732 MQIIBHNWVOVHOA-UHFFFAOYSA-N 405.254 4.979 5 1 HJBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2-c2ccc(OC)cc2[N+](=O)[O-])N1 962943839 CWCSTIZSDMGBPQ-MYYSRTQBSA-N 416.481 4.889 5 1 HJBF C[N+](C)(C)c1ccc(CC(=O)OCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 13524867 QREOMTVXBVGMDL-UHFFFAOYSA-N 424.521 4.702 5 1 HJBF CC(C)c1ccc2nc3ccc(C(=O)OCCCCc4cccnc4)cn3c(=O)c2c1 27525668 ITDJRWUWKNQINQ-UHFFFAOYSA-N 415.493 4.546 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 587751437 MJICQMITJJGZSO-NIVTXAMTSA-N 405.223 4.866 5 1 HJBF CN1CCN(CCCCCCn2c3ccccc3c3nc4ccccc4nc32)CC1 1772609374 IKNGBNIFBVUBJJ-UHFFFAOYSA-N 401.558 4.546 5 1 HJBF CC(C)c1cc2c(=O)c3c(O)cc4c(c3oc2c2c1[C@](C)(O)CC2=O)C=CC(C)(C)O4 238758488 WPRLLLRHSAWLQN-RUZDIDTESA-N 420.461 4.753 5 1 HJBF CC1CCC(NS(=O)(=O)Cc2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 586952964 OOJDEMBXGOQPSZ-UHFFFAOYSA-N 407.539 4.867 5 1 HJBF Cc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980163 ONFADZMZDGRTLT-UHFFFAOYSA-N 416.210 4.534 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 587261627 CUIDRBCBAVDEJD-GFCCVEGCSA-N 412.446 4.515 5 1 HJBF CCN(CC)CCNc1nccc2c1ccc1c3cc(OC)c(OC)cc3cnc21 49803516 HVQQPJROUFIXNN-UHFFFAOYSA-N 404.514 4.707 5 1 HJBF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587050032 LTUQKUDXIPSGPW-UHFFFAOYSA-N 409.627 4.512 5 1 HJBF COc1cc2oc3c(O)c4c(oc5cc(OC)c(OC)cc54)c(O)c3c2cc1OC 13376236 KRTGEUBHPDLRGT-UHFFFAOYSA-N 410.378 4.931 5 1 HJBF biogenic O=[N+]([O-])c1cc(-c2nc3ccnc(O)c3[nH]2)ccc1Sc1nc2ccccc2s1 587038375 RXKYQTAJLZCXDA-UHFFFAOYSA-N 421.463 5.000 5 1 HJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)c(F)cc2[nH]1 587054936 NGUXVWUZQJPYNA-INIZCTEOSA-N 408.792 4.530 5 1 HJBF COC(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587512192 VLQFILXEBBIYCZ-JOCHJYFZSA-N 410.426 4.533 5 1 HJBF C[C@@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611653 HJHDJMWNOXJWNN-BEFAXECRSA-N 417.826 4.892 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587748045 RYYUUOFTWFOFQF-MGNBDDOMSA-N 409.255 4.519 5 1 HJBF CCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1[N+](=O)[O-] 13831922 DDHYYYIHQCNKSO-LFIBNONCSA-N 411.483 4.564 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cccc([N+](=O)[O-])c3)nc3ccccn13)O2 587388683 GGIKZYQXQANZFP-IBGZPJMESA-N 414.421 4.507 5 1 HJBF COc1ccc(/C=C\Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(OC)c1 587928262 ABBOCWAVUQUUOP-ARJAWSKDSA-N 418.247 4.507 5 1 HJBF CCOC(=O)c1c(-c2ccccc2)n2c3ccc(F)cc3c(=O)n2c2ccccc12 1911586275 LCEFSPLEECXRCN-UHFFFAOYSA-N 400.409 4.688 5 1 HJBF CN(C)CCN1C(=O)c2c(c3c4ccccc4[nH]c3c3cc4ccccc4cc23)C1=O 28521653 YFDYDKVEJMJZBZ-UHFFFAOYSA-N 407.473 4.785 5 1 HJBF O=C(Nc1ccncc1)c1cccc2c(=O)c3cccc(OCc4ccccc4)c3[nH]c12 49068841 JBPGHTWLIRSKHM-UHFFFAOYSA-N 421.456 4.908 5 1 HJBF O=C1NC(=S)C/C1=C\c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 169701108 FPOXEYVJIPXOIV-NTUHNPAUSA-N 404.900 4.771 5 1 HJBF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587037973 BKRBOZIMYDLMMN-UHFFFAOYSA-N 419.470 4.525 5 1 HJBF Cc1ccccc1-c1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O 587943808 PLUQCXPQRZOGMS-UHFFFAOYSA-N 421.222 4.982 5 1 HJBF CCCn1cnc2cc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cc(Br)c21 587004223 PUYYSWPQOWFOKS-UHFFFAOYSA-N 414.263 4.969 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc(F)c2[nH]1 587109399 ITEFCXZXGYPCMC-UHFFFAOYSA-N 418.144 4.982 5 1 HJBF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587927311 OPDRNSZFESIYIH-GFCCVEGCSA-N 420.263 4.793 5 1 HJBF O=[N+]([O-])c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCCN2CCCC[C@@H]12 5544517 OBWFXVHXLLHHFG-UGKGYDQZSA-N 404.514 4.800 5 1 HJBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCCNc1ccnc2cc(Cl)ccc12 95593696 JHYBJFHAISQYGI-BJMVGYQFSA-N 424.888 4.818 5 1 HJBF CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C)CCC[C@]23C)C1 299841457 ZWXGQGCKQDMPAM-YFHGXGFGSA-N 422.674 4.892 5 1 HJBF CCOc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC 586978394 QMQGWMXERBXDKQ-FPLPWBNLSA-N 418.247 4.811 5 1 HJBF COC(=O)/C=C/c1ccc2c(c1)n(C)c1cc(OC)cc3c4ccccc4[n+](C)c2c31 13675629 QOXOCHLJWSUVNX-ZRDIBKRKSA-N 411.481 4.657 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1[N+](=O)[O-] 587015486 FKAGVNPPVZVDOM-UHFFFAOYSA-N 401.791 4.823 5 1 HJBF CCCCC[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 45245186 ZWBHPTXWWDKZFH-ZDUSSCGKSA-N 415.515 4.693 5 1 HJBF O=[N+]([O-])c1cccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)c1 95573203 HGRJPYJEPYZAQV-UHFFFAOYSA-N 411.465 4.532 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751995 PLNNWFCLJVMPOX-APBUJDDRSA-N 418.266 4.775 5 1 HJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc3ccccc3c2[nH]1 587054333 JTTLBFGICPZESW-SFHVURJKSA-N 423.860 4.800 5 1 HJBF Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCCC1 40412128 FIIHLSUUPYBBJL-UHFFFAOYSA-N 418.497 4.898 5 1 HJBF O=[N+]([O-])c1cncc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068192 KZDKGIGLKWOICM-UHFFFAOYSA-N 406.789 4.632 5 1 HJBF CCCCOc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br 587267631 NWRAUVUMYGKVRQ-NSHDSACASA-N 422.283 4.527 5 1 HJBF COc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c(O)c2)cc1OC 587925895 FEWHPEFEKOKMKH-UHFFFAOYSA-N 405.410 4.836 5 1 HJBF COc1ccc(-c2cn3nc(-c4ccc(N5CCCC5)c([N+](=O)[O-])c4)sc3n2)cc1 103230632 SRTRHIZKBURKTB-UHFFFAOYSA-N 421.482 4.642 5 1 HJBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccccc3Cl)s2)cc([N+](=O)[O-])c1 221020760 JQSARGBTFGOIKY-UHFFFAOYSA-N 408.848 4.967 5 1 HJBF C[C@]1(c2cccc([N+](=O)[O-])c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332573 LWLSAMPJFNZFOL-DENIHFKCSA-N 411.360 4.853 5 1 HJBF O=C1c2ccc(O)cc2O[C@]2(C=COc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587337620 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C[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331481 HKIQFUMJDBWGOL-IRLDBZIGSA-N 411.360 4.853 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1 587753739 WPIBDZZKBJFRAG-APBUJDDRSA-N 416.250 4.668 5 1 HJBF COc1cccc(-c2c(OC)cc(OC)c3c(=O)c4ccc(OC)c(OC)c4oc23)c1 96933380 QAMURQSCLKYMOD-UHFFFAOYSA-N 422.433 4.656 5 1 HJBF CCCCCCOc1c(Cl)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC 13741639 FXIDUJRJJOMHAT-UHFFFAOYSA-N 400.967 4.951 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587432252 IVIGUTNEYPKRAA-QMHKHESXSA-N 403.390 4.884 5 1 HJBF O=C1C[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587495449 CGVVXTHKEDTOKU-SFHVURJKSA-N 402.244 4.943 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc2cccnc12 587573332 BFOMZZMSOWLTQF-AUSIDOKSSA-N 414.373 4.552 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc2cccnc12 587573337 BFOMZZMSOWLTQF-WMZHIEFXSA-N 414.373 4.552 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691114 BZDIYSSRHMCFIJ-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF CCCCNc1cc2c(cc1[N+](=O)[O-])C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 103290372 BEWFACQSBBLGOT-CEMLEFRQSA-N 402.491 4.630 5 1 HJBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc([N+](=O)[O-])cc1 587389471 KXYNJTAZVKXSJG-OAQYLSRUSA-N 420.421 4.993 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)c4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587433051 MKLQIKCMRAEAMW-UUOWRZLLSA-N 416.433 4.860 5 1 HJBF O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc([N+](=O)[O-])cc1 13761292 VKOXSUKWGHRFIT-AATRIKPKSA-N 420.208 4.733 5 1 HJBF Cn1c2cc(=NC(=O)C(F)(F)F)ccc-2c2cccc3c2c1c1ccccc1n3C 29135470 LQSLAVJGNRWUDR-UHFFFAOYSA-N 407.395 4.918 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1 587747872 QMWBKWMAEKNOLT-NSPYISDASA-N 405.267 4.684 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 587750363 HXANVHTVDCAFMT-LZVRBXCZSA-N 404.239 4.601 5 1 HJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 587268958 FLTKPDRCQJCSRL-UHFFFAOYSA-N 419.268 4.798 5 1 HJBF O=[N+]([O-])c1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 299868633 RYYBIVXCQSFRDA-UHFFFAOYSA-N 417.303 4.846 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2c([N+](=O)[O-])cccc12 587575976 LQMBUWNZENSTNQ-CVDCTZTESA-N 414.373 4.552 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1 587754628 ZMANGXRRJUJLTR-NSPYISDASA-N 405.267 4.611 5 1 HJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccccc1[N+](=O)[O-] 587863838 KIIJKXZUQIUWSR-UHFFFAOYSA-N 422.388 4.731 5 1 HJBF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587027604 WMKLTCGXTGYMMW-UHFFFAOYSA-N 419.260 4.849 5 1 HJBF COc1ccc([C@@H]2[C@@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1 1772637312 NHNKDUUDSZZXTN-AUSIDOKSSA-N 400.438 4.611 5 1 HJBF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] 587330479 BSLHEWMKEHJOTE-GMAHTHKFSA-N 423.396 4.722 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1 587749146 XLVVRBNFUYLTKY-NSPYISDASA-N 421.266 4.519 5 1 HJBF O=[N+]([O-])c1ccc(Nc2cn3ccnc3c(Oc3c(F)cc(F)cc3F)n2)cc1 299856234 CLGFHAUOERUFIV-UHFFFAOYSA-N 401.304 4.591 5 1 HJBF Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1Cl 586968816 WQKFBTQWKIRKEJ-UHFFFAOYSA-N 414.878 4.614 5 1 HJBF Cc1nn(Cc2ccccc2-c2nc3ccc(OC(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267337 IYCPLPIRORSIRI-UHFFFAOYSA-N 405.458 4.787 5 1 HJBF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)CC2=O 587473528 XCBWIXBSYMETMT-DEOSSOPVSA-N 418.449 4.744 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 587749898 ZZCZRDOMQYTIKL-FKIZINRSSA-N 419.294 4.879 5 1 HJBF COc1ccc(/C=C/Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(OC)c1 587929749 PMNVDVHDXCXMFR-ONEGZZNKSA-N 418.247 4.507 5 1 HJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135123 DCKAAANSMIQQRW-HOTGVXAUSA-N 423.517 4.524 5 1 HJBF Cc1cc(F)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587057376 WCDVGLVCXKVJAO-MRXNPFEDSA-N 404.829 4.699 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 587108962 DXFYPOZYRPKGGR-UHFFFAOYSA-N 405.254 4.979 5 1 HJBF O=C1[C@H](Oc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nc2ccccc2s1 1772584039 DTSAHPSUIGGWDD-VQTJNVASSA-N 417.446 4.740 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587270489 ZTDIEUPGHDBERZ-UHFFFAOYSA-N 422.670 4.549 5 1 HJBF CCOc1cc2c3cc(OC)c(OC)cc3c[n+](CC)c2c2cc(OC)c(OC)cc12 28522806 VHCHGWCLJYQCQG-UHFFFAOYSA-N 422.501 4.887 5 1 HJBF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148317 XIZKWAWVFHODKQ-DOXZYTNZSA-N 411.506 4.571 5 1 HJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@@H]21 587024925 CMRMWHOLKOAFQQ-ZVZYQTTQSA-N 410.499 4.608 5 1 HJBF COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261017 PPANCSKWDRLESI-UHFFFAOYSA-N 412.627 4.571 5 1 HJBF 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C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1 587751230 LLOIQQDVFDIWNF-APBUJDDRSA-N 416.250 4.668 5 1 HJBF C[C@@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O 5813172 UCAIIDSEJYRYBB-DSYNPFFXSA-N 416.521 4.583 5 1 HJBF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c(F)c2)c1 587138364 GGIUYJGVONZWBX-UHFFFAOYSA-N 413.311 4.921 5 1 HJBF O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(NCc4nc5ccccc5[nH]4)cc3)=NO2)cc1 5594047 ZLRDWSSRHRPHAJ-QFIPXVFZSA-N 413.437 4.949 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1[N+](=O)[O-] 587064438 KEFLJFJXNVJOIR-UHFFFAOYSA-N 414.761 4.872 5 1 HJBF C[C@@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548298 PKJJTZSIVZTRGA-NQIIRXRSSA-N 411.797 4.831 5 1 HJBF Cc1cccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C[C@@H]2CCCN21 963095985 DQEBYWHHFDNXBO-GBXCKJPGSA-N 403.457 4.750 5 1 HJBF COCCOc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587266453 XZLXYJIBYRJNFR-UHFFFAOYSA-N 413.377 4.775 5 1 HJBF COc1c([N+](=O)[O-])ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F 587505627 MEXIUJIFPSTXNO-QGZVFWFLSA-N 419.380 4.790 5 1 HJBF O=Cc1cc(Br)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 586982653 NOWHZBJEBTVNIK-UHFFFAOYSA-N 403.239 4.901 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc([N+](=O)[O-])c2n1 587578261 VQBJHWORZXGEMB-XXBNENTESA-N 414.373 4.552 5 1 HJBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134378 XPSWVXYXDRQZOY-YWZLYKJASA-N 423.517 4.715 5 1 HJBF Cc1cc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2cc1[N+](=O)[O-] 587017006 HDHXRWIJPHWKGK-UHFFFAOYSA-N 402.439 5.195 5 1 HJBF C[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540902 CCQORSMAAXYZGF-NQIIRXRSSA-N 411.797 4.831 5 1 HJBF C[C@H](Cc1ccccc1[N+](=O)[O-])[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574694 GLZVIZVGOVSETD-OECQAKIHSA-N 419.433 4.900 5 1 HJBF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174601 FVLZNZDYTMWUAM-KBPBESRZSA-N 407.474 4.806 5 1 HJBF COCCNc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1[N+](=O)[O-] 587264781 JSSHDZBBISWCRY-UHFFFAOYSA-N 418.453 4.775 5 1 HJBF COc1cc2c(CCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 40955388 GLQQMTGMPBMPEB-UHFFFAOYSA-N 418.493 4.781 5 1 HJBF O=[N+]([O-])c1ccc(Nc2nc(-c3ccccc3)nc3c2nnn3Cc2ccccc2)cc1 42887685 NIAHUCOTFNGSPX-UHFFFAOYSA-N 423.436 4.588 5 1 HJBF COCCNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12 73196007 CPQINKSLOKLYSY-UHFFFAOYSA-N 406.873 4.556 5 1 HJBF CCOC(=O)c1c(-c2ccccc2)n2c3ccc(OC)cc3c(=O)n2c2ccccc12 1911583778 XBNGPHXIKINWDR-UHFFFAOYSA-N 412.445 4.558 5 1 HJBF CC(=O)OCC(C)(COC(C)=O)NCc1ccc2ccc3cccc4ccc1c2c34 26475444 BZBGHAKMNOBBPF-UHFFFAOYSA-N 403.478 4.559 5 1 HJBF COc1ccc(NC(C)(C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587201500 PAVBPCAXADYMHO-UHFFFAOYSA-N 405.252 4.589 5 1 HJBF COC(=O)c1cc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2cc1OC 587272202 PTIPUDYKNRZXBL-UHFFFAOYSA-N 419.393 4.726 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1 587749600 DVJZRRYZIRVVOT-APBUJDDRSA-N 416.250 4.668 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc3cccnc23)N1 587753376 VLGMJZMIPWCLQU-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF C[C@H](OC(=O)c1c(F)cccc1F)c1cccc2nc3c(C(=O)O)cccc3nc12 29467166 LLMVYUPMRUJQGP-NSHDSACASA-N 408.360 4.677 5 1 HJBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCCN1CCCCCC1 45385933 YWQIFVJRRYQBLF-UHFFFAOYSA-N 408.502 4.790 5 1 HJBF O=[N+]([O-])c1cc(Cl)c(Nc2ccc3nc(O)[nH]c3c2)cc1NCc1cccnc1 1772606435 GCCSRVBRMNLGCT-UHFFFAOYSA-N 410.821 4.581 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C)c([N+](=O)[O-])c1 587865720 GOMCLTPWTTUJEO-UHFFFAOYSA-N 419.359 4.873 5 1 HJBF O=c1[nH]cnc2c([N+](=O)[O-])ccc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c12 40584191 MHDVYPUPXIDQNC-UHFFFAOYSA-N 422.828 4.807 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])N1 587753669 WGTUIEGBKSVSIG-XTZNXHDOSA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1cc(Cl)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21 40848474 KKBONOZNSPCVJK-UHFFFAOYSA-N 424.873 4.647 5 1 HJBF Cc1cc(COCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C(C)C)cc1Br 473113192 HUSLYVPMJOEJTG-UHFFFAOYSA-N 421.291 4.944 5 1 HJBF CS(=O)(=O)Nc1ccccc1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 586949370 URYSMMREBXHCTF-UHFFFAOYSA-N 401.491 4.832 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587134804 OUZOYQMJCVWYGX-UHFFFAOYSA-N 422.157 4.746 5 1 HJBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccccc2Cl)c1O 587937794 YLYCOBHZUZAJBK-UHFFFAOYSA-N 409.623 4.880 5 1 HJBF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 29048988 UUJCXYQAZRYJCU-UHFFFAOYSA-N 403.394 4.729 5 1 HJBF CC[N+](CC)(CCCNC(=O)c1nccc2c1[nH]c1ccccc12)Cc1ccccc1 64447941 FHKDBWUQZFGWPA-UHFFFAOYSA-O 415.561 4.893 5 1 HJBF O=C(O)C[C@H](CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 217063310 AAPFKAWUMADDPS-KRWDZBQOSA-N 420.421 4.974 5 1 HJBF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 586950353 UXHOQVGHOLPDQT-UHFFFAOYSA-N 422.466 4.556 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc([N+](=O)[O-])c(C)c4)o1)[C@@H](C2)C3=O 587432683 KMBIIEIUHGVBIG-SBUREZEXSA-N 421.405 4.573 5 1 HJBF CN1C(=O)c2c(c3c4ccccc4n4c3c3c2c2ccccc2n3[C@@H]2CC[C@H]4O2)C1=O 29325038 PJVZQNVOUCOJGE-CALCHBBNSA-N 407.429 4.949 5 1 HJBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccc(Cl)cc2)c1O 587937054 MVGVILUNDWXMNE-UHFFFAOYSA-N 409.623 4.880 5 1 HJBF CCCNC(=S)Nc1ccc2cc3ccc(NC(=S)NCCC)cc3nc2c1 205016736 VETGOQWHFHVSRW-UHFFFAOYSA-N 411.600 4.781 5 1 HJBF Cc1ccc(NC(=O)Nc2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 261073386 ALSFTTXIEFARNP-UHFFFAOYSA-N 422.422 4.777 5 1 HJBF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc([N+](=O)[O-])cc1 587104259 FSTZJVHEXFVWOK-UHFFFAOYSA-N 409.401 4.536 5 1 HJBF CCCOc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br 587158388 DQILIVMZQOOQAG-UHFFFAOYSA-N 424.226 4.741 5 1 HJBF COc1cc([C@H]2NCCc3ccc(F)c(C)c32)c([N+](=O)[O-])cc1OCc1ccccc1 962381617 YUCMTJQOIPAPMC-XMMPIXPASA-N 422.456 4.865 5 1 HJBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc([N+](=O)[O-])cc3[nH]1)N2 587030798 ILDLLNOMKDNEFU-QOUOVQQFSA-N 415.500 4.598 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(F)cc(Br)c3)[nH]c12 587161032 KKJGKZGVZYRFMB-UHFFFAOYSA-N 415.016 4.802 5 1 HJBF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1cccc([N+](=O)[O-])c1 587105309 XUYSULGJDPXMKD-UHFFFAOYSA-N 409.401 4.536 5 1 HJBF C[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331480 HKIQFUMJDBWGOL-IFMALSPDSA-N 411.360 4.853 5 1 HJBF CCN(CC)CCn1c2ccc(OC)cc2c2sc3cc(OC)ccc3c(=O)c21 43059597 MLODJAPEKNFXRO-UHFFFAOYSA-N 410.539 4.728 5 1 HJBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cccc(C(F)(F)F)c1 587646225 LSLRDOIWXFMEOT-UHFFFAOYSA-N 406.316 4.503 5 1 HJBF Cc1nn(-c2ccccc2I)c(C)c1-c1cccc([N+](=O)[O-])c1 1163090 HTSKUAZUFAYXGP-UHFFFAOYSA-N 419.222 4.669 5 1 HJBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148569 OSORUTDIJCKYEB-JKSUJKDBSA-N 423.517 4.524 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])N1 587752272 QJFOMWRXVIDDPX-MLCYQJTMSA-N 416.250 4.668 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)N1 587753374 VLGMJZMIPWCLQU-GIGQVBGESA-N 416.250 4.668 5 1 HJBF COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(C)[C@H](C)C2 962560560 CTNDMDQOWXQVPT-WYRIXSBYSA-N 410.392 4.597 5 1 HJBF Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163811 OTZDRRRUELLRPJ-UHFFFAOYSA-N 401.426 4.936 5 1 HJBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c(F)c2)c1 587147226 HDRSVFGAPDNVNQ-UHFFFAOYSA-N 421.384 4.959 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1F 587182215 BXLAROPSMFPEJO-UHFFFAOYSA-N 417.565 4.535 5 1 HJBF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587240924 RUBOHKFGYMUPHG-UHFFFAOYSA-N 404.810 4.844 5 1 HJBF Nc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(-c2ccccc2Cl)n1 587061248 SPLZKQABFUSPRC-UHFFFAOYSA-N 423.867 5.019 5 1 HJBF O=C1c2ccc(O)cc2O[C@@]2(CCc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1 587343480 TZFCCINZNWSLTA-FYYLOGMGSA-N 405.381 4.640 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)O2 587414204 LMXFAFDLEXARIM-KRWDZBQOSA-N 420.450 4.568 5 1 HJBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)cc1F 587146969 BDADYRPYXXLIHN-UHFFFAOYSA-N 418.428 4.618 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1 587746459 KAHDJGFEMONYED-NSPYISDASA-N 405.267 4.684 5 1 HJBF O=C(Oc1coc(CSc2ccccc2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 95576121 MCLMHKJKORVGTP-UHFFFAOYSA-N 417.826 4.713 5 1 HJBF COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1C 587054831 MBMNRXHTPLCPLV-GOSISDBHSA-N 416.865 4.569 5 1 HJBF CC[C@@H](C)NC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135605 ZVVCZHZRJDCYLK-OAHLLOKOSA-N 411.506 4.572 5 1 HJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1 587269975 KFKWRNYWLCDCNG-UHFFFAOYSA-N 400.373 4.525 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1[N+](=O)[O-] 587067789 PHWXDSWRPMEQEA-UHFFFAOYSA-N 424.800 4.859 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1[N+](=O)[O-])CC2=O 587457086 FBLUDUOZHIWGOY-KRWDZBQOSA-N 406.232 4.722 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1 587712727 AAINAXPKHPDKHN-HYORBCNSSA-N 417.637 4.913 5 1 HJBF COc1ccc2c(c1OC)[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(C1CC1)N(C)[C@H](C)C2 962561631 DMFIXOHCLYFKNU-MCMMXHMISA-N 416.905 4.795 5 1 HJBF COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)c4c(cc3oc12)O[C@@H](C)C4(C)C 15256081 NHUUFIXWOHZWLZ-LBPRGKRZSA-N 410.466 4.933 5 1 HJBF biogenic C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn1)C2 100597432 PPYDHVDMMAYDDI-PHZGNYQRSA-N 419.393 4.925 5 1 HJBF CCN(CC)c1ccc(-c2nn3cc(-c4ccc(OC)cc4)nc3s2)cc1[N+](=O)[O-] 103230634 VXRPTVNRADVQPG-UHFFFAOYSA-N 423.498 4.888 5 1 HJBF Cc1ccc(OCc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)o2)c([N+](=O)[O-])c1 587279840 CWZPNCWHWSSWAF-UHFFFAOYSA-N 422.349 4.961 5 1 HJBF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)c([N+](=O)[O-])c1)CC2 1857652754 VIZTXSYQTJENHF-UHFFFAOYSA-N 420.465 4.543 5 1 HJBF CCCn1cnc2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc(Br)c21 587004267 QLPPLVHKVJZUDO-UHFFFAOYSA-N 400.236 4.660 5 1 HJBF COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748277 WAGVDVKJOCSKPD-JEOXALJRSA-N 423.282 4.611 5 1 HJBF O=C1OCC2=C1[C@@H](c1cc(F)c(F)c(F)c1)c1c(c3cccnc3c3ncccc13)N2 299838228 MMUBVQKTLWQLBK-INIZCTEOSA-N 419.362 4.569 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 587743318 AMBXJMBSTSVZMY-FKIZINRSSA-N 419.294 4.879 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncccc3c2[N+](=O)[O-])N1 587753667 WGTUIEGBKSVSIG-MGNBDDOMSA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)cc(Br)c2[nH]1 587159240 NVZZIXWZTXLHSU-UHFFFAOYSA-N 400.591 4.605 5 1 HJBF O=C1C[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587497992 DXALGLBLRTWBPZ-QGZVFWFLSA-N 418.243 4.648 5 1 HJBF COc1c(C)c2c(c(=O)c3c(C)cccc3n2C)c2c1c(=O)c1c(C)cccc1n2C 5579717 UVOSCSFGSZGFNT-UHFFFAOYSA-N 412.489 4.631 5 1 HJBF Cc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174755 YABBCLIKFUSFLM-UHFFFAOYSA-N 405.389 4.766 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(F)cc(Br)c2[nH]1 587108969 FBKYUMAGAMSQMT-UHFFFAOYSA-N 418.144 4.982 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1 587698475 QJEFMUCRPOOYNJ-HUTHGQBESA-N 413.674 4.948 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1 587752663 SSKAZZXWDDBZCM-GIGQVBGESA-N 416.250 4.668 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1nc3ccc([N+](=O)[O-])cc3s1)O2 587413235 FWKLHODXCRENOB-IBGZPJMESA-N 415.496 4.611 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncccc2c1[N+](=O)[O-] 587574677 GHIIMMBIYMPIBZ-AUSIDOKSSA-N 414.373 4.552 5 1 HJBF CCCc1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nn1-c1ccccc1F 587154310 BXEUBUCATBGCME-UHFFFAOYSA-N 423.455 4.999 5 1 HJBF CNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587337267 OXRHOLCFQHQPJH-GGAORHGYSA-N 422.412 4.756 5 1 HJBF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 587576938 QFCYSQZNHCGLES-RDPSFJRHSA-N 417.417 4.839 5 1 HJBF COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)C[C@@H]1CCCN1C3 14649161 MBPWXIIJEVGZKP-AWEZNQCLSA-N 423.509 4.557 5 1 HJBF biogenic COc1cc2oc3cc(O)c4c(c3c(=O)c2c(O)c1CC=C(C)C)CCC(C)(C)O4 238774782 LERNWSHUQATAEP-UHFFFAOYSA-N 410.466 4.978 5 1 HJBF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2)c1[N+](=O)[O-] 13782430 NRDNRKCJYHXRNQ-UHFFFAOYSA-N 415.471 4.558 5 1 HJBF C[C@H]1CCCN(c2ccc(NC(=O)c3ccc4ccccc4c3O)cc2[N+](=O)[O-])C1 169323608 YGQSCOMHBUSGKY-HNNXBMFYSA-N 405.454 4.942 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1 587692907 IFKMFGFDBOKFTM-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(F)c2[nH]1 587054896 MUZZIHBICFHGKM-OAHLLOKOSA-N 408.792 4.530 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])N1 587751497 MZTBVANBRVKJGU-XTZNXHDOSA-N 416.250 4.668 5 1 HJBF Cc1cnc(Cl)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587057428 WIAFZTBREMLVRK-ZDUSSCGKSA-N 422.272 4.608 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)cc(C)c2[nH]1 587262214 GFWILPOPVGFWOJ-LLVKDONJSA-N 403.822 4.784 5 1 HJBF CC(C)CCOc1ccc(Br)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586981351 JECGCWMVXNDMPE-UHFFFAOYSA-N 405.252 4.721 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1 587693725 FEYRSHCECJAXEA-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1nc(O)c1c(N(C)C)cccc12 1857578544 DDGXPKCYJKDUBA-HNNXBMFYSA-N 401.510 4.903 5 1 HJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccc(Cl)cc3)oc12 299855051 AXFINLVJAUOKRP-UHFFFAOYSA-N 412.825 4.998 5 1 HJBF O=[N+]([O-])c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 586999561 BCFAORZJASGTNL-UHFFFAOYSA-N 424.258 4.908 5 1 HJBF Cc1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587091676 NBTXNZSJXALXAI-UHFFFAOYSA-N 420.269 4.801 5 1 HJBF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)c1 587232178 MPXDJEZRLYYJFV-UHFFFAOYSA-N 420.856 4.742 5 1 HJBF COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[N+]1([O-])CCC[C@@H]1C3 14824716 YGBVKYSGPYHGGR-SUUGVPPDSA-N 409.482 4.561 5 1 HJBF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 82195356 FPYROIMOAIHEFZ-INIZCTEOSA-N 422.576 4.558 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1 587753745 WPIBDZZKBJFRAG-GIGQVBGESA-N 416.250 4.668 5 1 HJBF CCCCCC[C@H](C(=O)OC)C(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356833438 KGAXVELBGHHQJE-KRWDZBQOSA-N 422.481 4.512 5 1 HJBF O=C1OCC2=C1[C@H](c1cc(F)c(F)c(F)c1)c1c(c3cccnc3c3ncccc13)N2 299838229 MMUBVQKTLWQLBK-MRXNPFEDSA-N 419.362 4.569 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(F)cc1Cl 587559024 UXQWAXVVTXMHMY-YLJYHZDGSA-N 415.760 4.796 5 1 HJBF C[C@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611657 HJHDJMWNOXJWNN-HNAYVOBHSA-N 417.826 4.892 5 1 HJBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2Br)Oc2c1ccc1c2CCCC1 587501309 IBRBRUGRKBGANS-SFHVURJKSA-N 402.244 4.943 5 1 HJBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2-c2ccc(OC)cc2[N+](=O)[O-])N1 962943840 CWCSTIZSDMGBPQ-OWJWWREXSA-N 416.481 4.889 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1 587693216 MOXOJPLJCYQVSV-HUTHGQBESA-N 413.674 4.948 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1 587754054 XNPYKMDSFSBAQG-ODXCJYRJSA-N 419.294 4.805 5 1 HJBF CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 169347404 ZXTDTAIGNMHNSS-UHFFFAOYSA-N 412.449 4.867 5 1 HJBF N=C=C(C(=N)Sc1ccccc1O)c1cccc([C@H](O)c2cccc([N+](=O)[O-])c2)c1 169718042 QEFYYFHFYRTIQQ-NRFANRHFSA-N 419.462 4.784 5 1 HJBF Cc1cc(N(C)Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c([N+](=O)[O-])cc1F 587137212 UAFANHHWEYTHND-UHFFFAOYSA-N 421.270 4.934 5 1 HJBF O=[N+]([O-])c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1F 586961538 VUSCEMWDOPKYAF-LJAQVGFWSA-N 409.442 4.649 5 1 HJBF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)OCc1ccc([N+](=O)[O-])cc1 587104231 FMQOMBLBGKBICX-UHFFFAOYSA-N 424.412 4.640 5 1 HJBF O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc([N+](=O)[O-])c12 587647395 GPZRXPMNJVXXOZ-UHFFFAOYSA-N 402.366 4.904 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587949770 BFTQMRMOHFMCEJ-UHFFFAOYSA-N 406.280 4.719 5 1 HJBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(CNc2ncnc3ccccc23)c1 653792907 DJETYTDGCPLLHF-UHFFFAOYSA-N 414.425 4.794 5 1 HJBF CCOC(=O)c1c(-c2ccc(OC)cc2)n2c3ccccc3c(=O)n2c2ccccc12 1911575269 OWWBFMWMJQSHBD-UHFFFAOYSA-N 412.445 4.558 5 1 HJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(CC(C)C)CN1C3 68267601 ZMRPVHIZNPRMHE-KRWDZBQOSA-N 420.553 4.675 5 1 HJBF Cc1ccc(C(=O)c2cn(CC[N+]3(C)CCOCC3)c3ccccc23)c2ccccc12 1857587540 WUGKSYRLBGQOLZ-UHFFFAOYSA-N 413.541 4.811 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1 587748904 BMKTVWLYCAZAGQ-NIVTXAMTSA-N 404.239 4.601 5 1 HJBF COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2cc1OC 586969754 XNQIKDVKPYAUPZ-UHFFFAOYSA-N 415.471 4.681 5 1 HJBF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc([N+](=O)[O-])cc1 103948192 BAIBLQPIGSOGTA-AWEZNQCLSA-N 412.471 4.662 5 1 HJBF Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1 587020557 BOURRYAUAZMRMC-UHFFFAOYSA-N 404.249 4.661 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1 587262978 ITPYQRXGWORECB-JTQLQIEISA-N 423.347 4.841 5 1 HJBF O=[N+]([O-])c1c(Cl)sc(Cl)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 40980523 WIOKYXLEPNCZLM-UHFFFAOYSA-N 421.205 4.783 5 1 HJBF Cc1nc(NS(C)(=O)=O)sc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586951751 XWEJKVTXYUCAHN-UHFFFAOYSA-N 408.508 4.673 5 1 HJBF O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)n1nc2cc1Oc1ccc(F)cc1-2 587874435 AOJKHQMYIZEDBS-UHFFFAOYSA-N 421.340 4.564 5 1 HJBF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Cl)c1OCC(C)C 587047592 YFVKJIIRZAFFJG-SNAWJCMRSA-N 402.838 4.733 5 1 HJBF O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)nn1CC(F)(F)F 587091786 IZSWBAOTWSJEGT-UHFFFAOYSA-N 413.665 4.569 5 1 HJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1 587862703 FZCQLZQLHDWDEG-UHFFFAOYSA-N 406.320 4.566 5 1 HJBF O=[N+]([O-])c1ccc(Cn2cc(COc3c(Cl)cc(Cl)cc3Cl)nn2)cc1 653793976 SNGYZOMEFCNKEE-UHFFFAOYSA-N 413.648 4.774 5 1 HJBF CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 13142485 JTRXAGQKEBNGGS-GXRSIYKFSA-N 411.502 4.514 5 1 HJBF Ic1nccnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587186337 IAMFMFRJJNFOGO-UHFFFAOYSA-N 422.229 4.931 5 1 HJBF COc1c(OC(F)F)ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587504586 JKHXDLVCMADZMG-KRWDZBQOSA-N 419.380 4.790 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccc([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O 587434094 RENBUGKGFDBDCW-CVDCTZTESA-N 403.390 4.884 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(OC)cc1[N+](=O)[O-])CC2=O 587472538 JIKHEQRGZOYTLJ-QFIPXVFZSA-N 422.437 4.759 5 1 HJBF CC(C)=CCc1c2c(c(O)c3c(=O)c4c(O)ccc(O)c4oc13)C[C@@H](C(C)(C)C)O2 2356655398 DRLYFKUSNMYYFW-INIZCTEOSA-N 410.466 4.921 5 1 HJBF Brc1cnc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cccn12 587006887 CNQVBYYLAVYTMM-UHFFFAOYSA-N 415.254 4.737 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077583 XFVUSKWFAAXAGG-AWEZNQCLSA-N 421.638 4.504 5 1 HJBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587158600 PMFGEUCWLJZGMV-UHFFFAOYSA-N 406.329 4.665 5 1 HJBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149407 MWQFFNVDJXSGBG-HZPDHXFCSA-N 423.517 4.524 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncccc2c1[N+](=O)[O-] 587574679 GHIIMMBIYMPIBZ-WMZHIEFXSA-N 414.373 4.552 5 1 HJBF COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N(C)[C@@H](C)C2 962560550 CTNDMDQOWXQVPT-JEOXALJRSA-N 410.392 4.597 5 1 HJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccccc4F)c3oc2c1OC 96933378 KWOMIPQSRJKEKV-UHFFFAOYSA-N 410.397 4.787 5 1 HJBF Brc1cccn2ncc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c12 587006035 AMEYDXOYGXDVPN-UHFFFAOYSA-N 415.254 4.737 5 1 HJBF COc1ccc(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1F 587143897 FCPBOPQJYPZFOT-UHFFFAOYSA-N 409.348 4.656 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc2cccnc12 587573335 BFOMZZMSOWLTQF-CVDCTZTESA-N 414.373 4.552 5 1 HJBF Cc1cc(C)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587053137 BRLWSKFKMQXSMD-KRWDZBQOSA-N 400.866 4.868 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cccc([N+](=O)[O-])c3)nc3ccccn13)O2 587388684 GGIKZYQXQANZFP-LJQANCHMSA-N 414.421 4.507 5 1 HJBF Cc1ccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507931 DJOZSDOMXIFZBE-BYUVYSIJSA-N 406.482 4.718 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2[N+](=O)[O-])N1 587751495 MZTBVANBRVKJGU-MGNBDDOMSA-N 416.250 4.668 5 1 HJBF Cc1cc(OC(C)(C)C)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O 587943284 UGCHMHAVOCGABS-UHFFFAOYSA-N 401.232 4.787 5 1 HJBF N=C=C(C(=N)Sc1ccccc1N)c1cccc([C@@H](O)c2cccc([N+](=O)[O-])c2)c1 169717989 MAMDICCUJJXXOB-OAQYLSRUSA-N 418.478 4.660 5 1 HJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)nc1C(F)(F)F 587119608 ZEWWCZFTQNLWBU-UHFFFAOYSA-N 423.301 4.680 5 1 HJBF CCN(CC)CCn1c2cc(OC)c(OC)cc2c2sc3ccccc3c(=O)c21 1857548099 ZZQYCMCFDYNJTN-UHFFFAOYSA-N 410.539 4.728 5 1 HJBF C[C@@H](O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1 103239763 BRBXDSJWXHVEHB-SECBINFHSA-N 401.253 4.575 5 1 HJBF CNS(=O)(=O)c1ccc(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586946790 PRRQVWHJQOWYEQ-UHFFFAOYSA-N 415.518 4.563 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccccc1[N+](=O)[O-] 587866221 XTLCRRQMXATZQA-UHFFFAOYSA-N 419.359 4.759 5 1 HJBF Cc1cc(Br)cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587267451 ZBXOQBNILVZOHE-VIFPVBQESA-N 420.223 4.623 5 1 HJBF C[C@@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548300 PKJJTZSIVZTRGA-RXVVDRJESA-N 411.797 4.831 5 1 HJBF Cc1cccnc1[C@]1(c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C[C@H]2CCCN21 963095992 DQEBYWHHFDNXBO-YKSBVNFPSA-N 403.457 4.750 5 1 HJBF C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])c2ccc(F)cc2C[C@H]2CCCN21 963119062 YXQIJFQZODKWLL-XLIONFOSSA-N 419.294 4.975 5 1 HJBF C[C@@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@]2(C)C[C@](C)(C1)[C@@H](O)NC2=O 5813171 UCAIIDSEJYRYBB-HMNRDNJPSA-N 416.521 4.583 5 1 HJBF Cc1cc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2cc1[N+](=O)[O-] 587033965 KUCFWWQSFBIRRY-UHFFFAOYSA-N 414.487 4.801 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])O2 587389846 NLANZNANCQJLGD-OAQYLSRUSA-N 418.405 4.557 5 1 HJBF O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644934 GBJBKNGQHBIHQG-UHFFFAOYSA-N 400.259 4.927 5 1 HJBF CCCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134373 DBURSOUFSCOQFJ-BEFAXECRSA-N 411.506 4.572 5 1 HJBF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1 587126448 XDKCKGJGZBDATJ-MLCYQJTMSA-N 423.402 4.830 5 1 HJBF C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333860 NOPFYMTXQBVKOE-UNMCSNQZSA-N 411.360 4.853 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 587752360 RMJSBSZDUOTNQH-DYBLOJMWSA-N 405.223 4.866 5 1 HJBF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163853 BSJNZTFMQWMLAH-UHFFFAOYSA-N 401.426 4.936 5 1 HJBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cc2F)c1 587143343 CTKIPIUNZOOMQH-UHFFFAOYSA-N 421.384 4.959 5 1 HJBF O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Nc2ccncn2)cc1 28952556 FEQCYUASCOZMFK-UHFFFAOYSA-N 418.438 4.504 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Cl 587114726 GMNPHHUDNRZQAU-UHFFFAOYSA-N 421.560 4.968 5 1 HJBF Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 587269281 KTUPMKHSWAMDAV-UHFFFAOYSA-N 401.264 4.809 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)N1 587754097 XOYHUDJGHBDHIG-WLRWDXFRSA-N 405.267 4.611 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c([N+](=O)[O-])cccc32)N1 587754475 YYFUTZYKEPKCOI-WYRIXSBYSA-N 405.267 4.611 5 1 HJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3ccccc3Cl)oc12 299857972 FXBXEEWGGDGUOZ-UHFFFAOYSA-N 412.825 4.998 5 1 HJBF Fc1ccc(-n2nnc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2C2CC2)cc1 587168691 LZJDZWULDFNXKY-UHFFFAOYSA-N 421.439 4.924 5 1 HJBF C[C@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550814 YVORMMSSDNCOQZ-WIYYLYMNSA-N 411.797 4.831 5 1 HJBF Fc1ccc(-n2cc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)nn2)cc1 98083163 ZUZRNOGKJLOVJR-UHFFFAOYSA-N 412.403 4.645 5 1 HJBF O=C1Nc2c(Cl)cccc2[C@]12ON=C(c1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1 103236549 IFASJWGRLHHJIO-XMSQKQJNSA-N 419.824 4.614 5 1 HJBF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575264 IJLGVCGIJCJVMM-NZQKXSOJSA-N 421.405 4.576 5 1 HJBF Cc1cc(-c2nnc(/C=C/c3ccccc3)o2)c2nc(O)c3ccccc3c(=O)c2c1 1857759992 IJCYPXHGDRMRNF-VAWYXSNFSA-N 407.429 4.983 5 1 HJBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc(Cl)cc2)cc1 13584416 SMEFRLJXQJPNFN-UHFFFAOYSA-N 411.874 4.729 5 1 HJBF O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 45349396 UGHKKSWDTNTZGL-UHFFFAOYSA-N 417.396 4.558 5 1 HJBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Cl 587048069 PSVNMLKPTHANBK-KXFIGUGUSA-N 423.610 4.966 5 1 HJBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587273960 LTHOYOSWCARLEF-SSDOTTSWSA-N 407.274 4.509 5 1 HJBF Cc1ccc(-c2cc(NCc3ccc(OC(F)(F)F)cc3)ncn2)cc1[N+](=O)[O-] 82161748 PNLFKIWGFFHMOY-UHFFFAOYSA-N 404.348 4.871 5 1 HJBF COCCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163457 BWSGXDYTLQOHJU-UHFFFAOYSA-N 421.482 4.777 5 1 HJBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 221020932 CKPNJBFBQZGYKK-UHFFFAOYSA-N 408.848 4.967 5 1 HJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cc1 587271726 HFRYZUJUWGOVQR-UHFFFAOYSA-N 421.325 4.747 5 1 HJBF O=C1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587496119 HCIKMFXABFZOSI-GOSISDBHSA-N 402.244 4.943 5 1 HJBF O=[N+]([O-])c1ccc(-n2nc(-c3cccnc3)n(Cc3ccco3)c2=S)c(Cl)c1 45189295 KSBQVCCOETZCHI-UHFFFAOYSA-N 413.846 4.668 5 1 HJBF Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163679 NCUBHYILOCZNOM-ZIAGYGMSSA-N 407.474 4.806 5 1 HJBF O=C1c2ccc(O)cc2O[C@]2(CCc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1 587343485 TZFCCINZNWSLTA-GMAHTHKFSA-N 405.381 4.640 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O 587417960 FXFUNPBEEURTKT-LHSJRXKWSA-N 410.813 4.536 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])c(Br)cc1F)CC2=O 587468689 ZAKMHCNSMZRMDO-KRWDZBQOSA-N 424.222 4.861 5 1 HJBF CCN(CC)CCn1[nH]c2c3cc(OC)c(Cl)cc3nc3c([N+](=O)[O-])ccc1c32 27548782 AHCUKIYFLUJGNB-UHFFFAOYSA-N 415.881 4.583 5 1 HJBF COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2sc2cc(N(C)C)ccc12 35952357 UHLOCMXMEYIVBF-UHFFFAOYSA-N 417.554 4.558 5 1 HJBF Cc1ccc(-c2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cs2)o1 587016201 HWSQBRVLCGWMNJ-UHFFFAOYSA-N 405.233 4.926 5 1 HJBF COC(=O)c1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 587160539 VNJTWIBYENDRKL-UHFFFAOYSA-N 424.363 4.947 5 1 HJBF CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587643701 IOUPMLPOSWMFFU-UHFFFAOYSA-N 403.232 4.611 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccccc2[N+](=O)[O-])N1 587745122 GIVICIVSNCZLQK-CWTRNNRKSA-N 407.283 4.879 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccccc2[N+](=O)[O-])N1 587745120 GIVICIVSNCZLQK-BUXKBTBVSA-N 407.283 4.879 5 1 HJBF O=c1[nH]ccc2c(Nc3c(Cl)cc(-c4ccn[nH]4)cc3Cl)nc3ccncc3c12 103239767 VINIUFYOSWAWBQ-UHFFFAOYSA-N 423.263 4.912 5 1 HJBF CC(=O)c1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cc1 586878928 BUTCSVPIXIYUFX-UHFFFAOYSA-N 402.366 4.916 5 1 HJBF Cc1nc(C(=O)Nc2ccccc2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 13478270 ACWFBXSXABCZMT-OAQYLSRUSA-N 422.466 4.652 5 3 HJBF CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1 43203436 GQLLFQLMJSBBNK-UHFFFAOYSA-N 415.280 4.749 5 1 HJBF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)CC1 101109410 NPYZUFBXIOMPMN-FSMVOZIXSA-N 413.518 4.553 5 1 HJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1OC)CC2=O 587462178 NDUVEYJYGQAYKT-FQEVSTJZSA-N 405.834 4.796 5 1 HJBF NCCCc1cc2c(-c3ccc(F)cc3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 28956037 FCIVNPKIBUPRNB-UHFFFAOYSA-N 412.468 4.769 5 1 HJBF Cc1c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979711 ILZROHXIGLXORF-UHFFFAOYSA-N 402.035 4.911 5 1 HJBF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)s1 587013952 DNTQGLVCQWUGHR-QMMMGPOBSA-N 411.281 4.763 5 1 HJBF Cc1ccc(/C=C\c2ncc([N+](=O)[O-])n2CCOC(=O)c2c[nH]c3ccccc23)cc1 299824402 GVRMCXYNRCUHIE-KHPPLWFESA-N 416.437 4.608 5 1 HJBF CCOc1ccc(OCC)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587778809 UHRQNNMBJSCEAB-UHFFFAOYSA-N 406.236 4.698 5 1 HJBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc([N+](=O)[O-])c3[nH]1)N2 587031459 NYZKLVKCJUQHMW-BNDQCTAISA-N 415.500 4.598 5 1 HJBF O=c1oc2ccc3ccccc3c2cc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 5093023 FMRLBTIRWCZEGH-UHFFFAOYSA-N 400.459 4.790 5 1 HJBF CCc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163715 ADDUDAPYOBNLAU-UHFFFAOYSA-N 409.515 4.974 5 1 HJBF COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(C2CC2)c1OC 95563457 IMUHYCAQKOKTIW-UHFFFAOYSA-N 404.486 4.883 5 1 HJBF CCC(=O)COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCN1C3 103179192 JWRUIWYXISGXRL-MRXNPFEDSA-N 419.521 4.889 5 1 HJBF O=[N+]([O-])c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl 586999403 ZXKAGGCFYLEIOX-UPHRSURJSA-N 422.622 4.786 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 587748640 AUNJEDMNIPBGJV-NIVTXAMTSA-N 404.239 4.601 5 1 HJBF COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260966 NAIZIZYCZSMYRC-UHFFFAOYSA-N 412.627 4.571 5 1 HJBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587267548 MTFHXQJOYIQKLJ-UHFFFAOYSA-N 417.803 4.931 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587749097 XAUIQQHKIGHINY-MLCYQJTMSA-N 409.255 4.519 5 1 HJBF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587926988 MVLMIEVOUSKGSX-LLVKDONJSA-N 420.263 4.793 5 1 HJBF COc1ccc([C@@H](c2ccccc2)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587938116 SICGRKUDZAWLLK-HXUWFJFHSA-N 404.382 4.568 5 1 HJBF Cc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163769 UVVCCKGWMOTJRV-UHFFFAOYSA-N 419.416 4.809 5 1 HJBF Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1[N+](=O)[O-] 587026953 NTJQZLGSLQYKRC-CVAIRZPRSA-N 424.526 4.916 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc3nc(C)ccc3c2[nH]1 587263430 MQRLCBJPMFOLPT-CYBMUJFWSA-N 420.425 4.679 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230389 UGNXAAMNEASYOG-UHFFFAOYSA-N 424.258 4.908 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1 587262980 ITPYQRXGWORECB-SNVBAGLBSA-N 423.347 4.841 5 1 HJBF COC(C)(C)CCc1ccc(O)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c12 14781086 CLDJJUOXMZUESE-UHFFFAOYSA-N 412.482 4.929 5 1 HJBF biogenic,in-vitro O=C(c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 82135529 NWUHJTKJLAYIPA-UHFFFAOYSA-N 423.517 4.670 5 1 HJBF Cc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1F 587118554 OUMOLOIWDWWFAJ-UHFFFAOYSA-N 419.338 4.849 5 1 HJBF O=[N+]([O-])c1cccc(Cn2cc(COc3c(Cl)cc(Cl)cc3Cl)nn2)c1 653807492 GRGIBTINLJAJBB-UHFFFAOYSA-N 413.648 4.774 5 1 HJBF Cc1cccc(/C=C\c2ncc([N+](=O)[O-])n2CCOC(=O)c2c[nH]c3ccccc23)c1 299829435 KHVULNWKMFCPMP-KTKRTIGZSA-N 416.437 4.608 5 1 HJBF O=[N+]([O-])c1ccc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F 587148920 MZRQDJJGVLZRJF-UHFFFAOYSA-N 405.691 4.741 5 1 HJBF CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cc(F)c(Cl)nc1Cl 587645744 JDAOYQCYCCWVPV-UHFFFAOYSA-N 412.204 4.690 5 1 HJBF Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)cn1 71315798 MCQSCWMBLWNXEA-UHFFFAOYSA-N 416.843 4.976 5 1 HJBF O=C1CCC(c2ccccc2)(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 587971194 VYQWJTIYGPYVOA-UHFFFAOYSA-N 414.259 4.663 5 1 HJBF CCCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134368 DBURSOUFSCOQFJ-KXBFYZLASA-N 411.506 4.572 5 1 HJBF Cc1cc2c(cc1C(=O)c1ccccc1)[n+](=O)c1cc(Cl)c(Cl)cc1n2O 140232079 UAZLHUSJMUBRFQ-UHFFFAOYSA-N 400.241 4.793 5 1 HJBF COc1ccc2cc(O)c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2c1 26175893 UGZIZVNAMYQDDG-UHFFFAOYSA-N 421.434 4.838 5 1 HJBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148573 OSORUTDIJCKYEB-CVEARBPZSA-N 423.517 4.524 5 1 HJBF COc1ccc2c(c1)[C@@H](c1ccccc1[N+](=O)[O-])N(CCOc1ccccc1)CC2 40896353 DGQBLGACOTVHMG-XMMPIXPASA-N 404.466 4.630 5 1 HJBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1cccc(-n2cccc2)c1 29340187 SVGOGQXWLDTMCA-HSZRJFAPSA-N 402.454 4.697 5 1 HJBF COc1cc2cc(CCCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 40379631 QPYCRSLXTQJTKK-UHFFFAOYSA-N 418.493 4.781 5 1 HJBF O=[N+]([O-])c1ccccc1COc1ccc(Nc2nccc(-c3nccs3)n2)cc1 40898264 VVAIQDVTOOPTNN-UHFFFAOYSA-N 405.439 4.831 5 1 HJBF O=[N+]([O-])c1ccc(CCN2CC[C@@]3(c4ccccc4)C[C@H]2Cc2ccc(O)cc23)cc1 221659504 VPZRQBILSKRTHA-BVAGGSTKSA-N 414.505 4.850 5 1 HJBF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cccc3o2)cc1 29049791 XISAYCLAQXAPDT-UHFFFAOYSA-N 403.394 4.729 5 1 HJBF O=C1OCC2=C1[C@H](c1cc(Cl)ccc1O)c1c(c3cccnc3c3ncccc13)N2 299838564 NCOLGAOCNJHOCK-QGZVFWFLSA-N 415.836 4.510 5 1 HJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 96620832 CAGADGTVNUQUNH-UHFFFAOYSA-N 419.268 4.798 5 1 HJBF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCC[N+](C)(C)C)[C@H]4CC[C@]3(CC1=O)C2 169329601 NHKVRWSRSOLECK-MLKDGHKFSA-N 404.615 4.608 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc([N+](=O)[O-])cc32)N1 587750781 JMCHIDZJMVQERN-NSPYISDASA-N 405.267 4.611 5 1 HJBF 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Cc1ccc(OCCOc2ccc(Br)cc2C(F)(F)F)c([N+](=O)[O-])n1 82157931 JERCGDSEVKGARJ-UHFFFAOYSA-N 421.169 4.537 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1 587712734 ABILRHGIUNFWGV-GYKQLYQFSA-N 417.637 4.913 5 1 HJBF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587749504 YUCOXPHUMNYWPH-MLCYQJTMSA-N 409.255 4.519 5 1 HJBF C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])c2ccc(F)cc2C[C@@H]2CCCN21 963119059 YXQIJFQZODKWLL-FXAWDEMLSA-N 419.294 4.975 5 1 HJBF NCC1(c2ccc(-c3c(O)cc(Cl)c4nc(O)c5c(O)cccc5c34)cc2)CC1 1857540832 OLGXBLDIEDRTFD-UHFFFAOYSA-N 406.869 4.816 5 1 HJBF Cc1nccn1-c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)c1 299859971 IRQIQXSHMCRQAF-QPJJXVBHSA-N 416.359 4.760 5 1 HJBF CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1cc(Cl)ccc12 1857582371 FWDWZVQUVHHJEJ-UHFFFAOYSA-N 404.901 4.900 5 1 HJBF O=[N+]([O-])c1cnc(/C=C/c2ccc(Cl)cc2)n1CCn1cc(-c2ccccc2)nn1 1857768156 BBJVJRLTIMWXPW-DHZHZOJOSA-N 420.860 4.574 5 1 HJBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1CCC[C@H]3N1 27553752 KPCVAMMFCPIUIU-CALCHBBNSA-N 406.445 4.570 5 1 HJBF COc1ccc2c(c1)[C@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)N(C(C)C)CC2 962088322 GIEAZUCKIHWGOQ-QFIPXVFZSA-N 413.474 4.658 5 1 HJBF Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1cc(Cl)cc(Cl)c1 1857549916 YCCJUBGORQHNGF-UHFFFAOYSA-N 415.236 4.880 5 1 HJBF COc1c(O)c(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)ccc(O)c3[nH]c12 2356636715 RQAZXQAGQYDOQC-UHFFFAOYSA-N 409.482 4.824 5 1 HJBF CSC1=N[C@@H]2/C(=C(/O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1 3781654 HDOFHDIMICWWKS-SCDSTIRESA-N 407.517 4.892 5 1 HJBF Cc1ccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)Nc2ccccc2O3)c(C)c1 103299694 OCZVBYMQSGJBIG-UHFFFAOYSA-N 411.439 4.862 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3c([N+](=O)[O-])cccc23)N1 587752654 SPQVZTNQGPGVPC-YPMLDQLKSA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1cccc(-c2cc(O)n3nc(C(F)(F)F)c(-c4cccs4)c3n2)c1 66122788 PDKKFMZEZVYNOS-UHFFFAOYSA-N 406.345 4.757 5 1 HJBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cccc(Br)c3c21 13519344 LAMWYYXJYIQOQL-UHFFFAOYSA-N 404.223 4.602 5 1 HJBF O=C1OCC2=C1[C@@H](c1cc(Cl)ccc1O)c1c(c3cccnc3c3ncccc13)N2 299838557 NCOLGAOCNJHOCK-KRWDZBQOSA-N 415.836 4.510 5 1 HJBF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 587117062 CYIILEYTNBVNOX-UHFFFAOYSA-N 408.387 4.800 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(F)cc(Br)c3)[nH]c12 587161282 ORHOZMSJLVGHJU-UHFFFAOYSA-N 415.016 4.802 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1 587712740 ABILRHGIUNFWGV-VGDKGRGNSA-N 417.637 4.913 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1 587750487 ICAUNCPMXRQPDN-YUNKPMOVSA-N 419.294 4.805 5 1 HJBF C[C@@H]1CCCN(c2ccc(NC(=O)c3ccc4ccccc4c3O)cc2[N+](=O)[O-])C1 169323606 YGQSCOMHBUSGKY-OAHLLOKOSA-N 405.454 4.942 5 1 HJBF Nc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587095630 NSFHIBKKVYBCKB-UHFFFAOYSA-N 401.142 4.502 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc3nc(C)ccc3c2[nH]1 587263433 MQRLCBJPMFOLPT-ZDUSSCGKSA-N 420.425 4.679 5 1 HJBF Cc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163949 HTRURLWTZMINGV-UHFFFAOYSA-N 415.453 4.978 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)cc(C)c2[nH]1 587262215 GFWILPOPVGFWOJ-NSHDSACASA-N 403.822 4.784 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c3cccnc23)N1 587750658 JKMPYJIULXAAFB-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587020963 DWUFHTHTPFEMOZ-UHFFFAOYSA-N 415.272 4.948 5 1 HJBF C[C@@]1(COc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333758 IBBVYCHBGOTPMB-GGAORHGYSA-N 423.396 4.636 5 1 HJBF COc1cccc(-c2cc(-c3nn(C)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587362290 GNAZYQJFDUKONR-UHFFFAOYSA-N 400.394 4.965 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccccc2[N+](=O)[O-])N1 587744311 CYGVBPLIPWZGAU-HXPMCKFVSA-N 407.283 4.879 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 587748641 AUNJEDMNIPBGJV-YYSFKGJASA-N 404.239 4.601 5 1 HJBF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82163446 XJOBLWDZAKQWRX-UHFFFAOYSA-N 405.414 4.837 5 1 HJBF CC(C)(C)C(=O)Nc1nnc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)s1 103231248 XYBRRKGKNVABSS-UHFFFAOYSA-N 403.508 4.843 5 1 HJBF CCOC(=O)c1c(-c2ccc(F)cc2)n2c3ccccc3c(=O)n2c2ccccc12 1911580107 HBKFHEBJVHHLQF-UHFFFAOYSA-N 400.409 4.688 5 1 HJBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135125 DCKAAANSMIQQRW-HZPDHXFCSA-N 423.517 4.524 5 1 HJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc3ncccc3c2[nH]1 587053107 BCMBGVUYBRNUIQ-SFHVURJKSA-N 423.860 4.800 5 1 HJBF CC(C)Cc1ccc([C@@H](C)c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1 653709707 NWJVXWWFRFIYFC-OAHLLOKOSA-N 421.526 4.895 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230346 SPTJHHNHCVUWHU-UHFFFAOYSA-N 424.258 4.908 5 1 HJBF O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 34642201 ZFSBZAQKTZCUDZ-KGVSQERTSA-N 418.384 4.640 5 1 HJBF Cn1ccc2ccc3c4[nH]c5cc(Br)ccc5c4c4c(c3c21)C(=O)NC4=O 13534953 AMWFOZDHIKRRJT-UHFFFAOYSA-N 418.250 4.612 5 1 HJBF CC(C)(C)Oc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(N)cc1F 587136766 VLQXMDWWJHEVDL-UHFFFAOYSA-N 423.242 4.799 5 1 HJBF COc1cc2c3c(c1)O[C@](c1c[nH]c4ccc([N+](=O)[O-])cc14)(C1CCC1)[C@@H](C2)C3=O 587432865 LZRQWXQPHZXKOZ-GAJHUEQPSA-N 404.422 4.528 5 1 HJBF Fc1cc2c(c(Cn3c4ccccc4c4nc5cc(F)ccc5nc43)c1)OCOC2 3027937 ZLVFMOHEOCGBIQ-UHFFFAOYSA-N 403.388 4.931 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(=O)c4cc(C)ccc4oc3nc1C)O2 587394382 FZYPWIDGONJTQN-RUZDIDTESA-N 414.461 4.729 5 1 HJBF CSC1=N[C@@H]2/C(=C(/O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1 3781653 WASSYUHVCUFIGT-YIQZXQSLSA-N 407.517 4.892 5 1 HJBF CC(C)[C@@H]1CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@]23C)C1 299841455 ZWXGQGCKQDMPAM-IWDMMCCFSA-N 422.674 4.892 5 1 HJBF O=[N+]([O-])c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Cl 587076771 NMPKQXMUWOZWIC-UHFFFAOYSA-N 404.213 4.613 5 1 HJBF CC(=O)NCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857562535 INQOONJAGAMFNN-UHFFFAOYSA-N 400.434 4.679 5 1 HJBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(NC3CC3)ncc12 66112982 CGIOVWDQDUIYCO-UHFFFAOYSA-N 405.845 4.848 5 1 HJBF C[C@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O 254079780 UCAIIDSEJYRYBB-RCOXAODPSA-N 416.521 4.583 5 1 HJBF O[C@H](c1ccc(Br)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586996254 COMQKJDUBJUDPO-LJQANCHMSA-N 405.255 4.504 5 1 HJBF O=[N+]([O-])c1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1[N+](=O)[O-] 587148763 FXNXCWQUGXCFHO-LJQANCHMSA-N 407.361 4.720 5 1 HJBF C[C@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547903 OBTSMWXFJHOHKT-WIYYLYMNSA-N 411.797 4.831 5 1 HJBF COc1c(CC=C(C)C)cc(O)c2oc3c4c(cc(O)c3c(=O)c12)C(C)(C)[C@H](C)O4 200556284 NOPDVJDPKREJFP-LBPRGKRZSA-N 410.466 4.933 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Br)CC2=O 587455928 HVOLQZVLCMAYIZ-KRWDZBQOSA-N 406.232 4.722 5 1 HJBF Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587576476 OTWFHUCWOKBTQV-OFNKIYASSA-N 405.406 4.572 5 1 HJBF O=[N+]([O-])c1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1[N+](=O)[O-] 587148762 FXNXCWQUGXCFHO-IBGZPJMESA-N 407.361 4.720 5 1 HJBF Cc1ccc([C@@]2(C)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1[N+](=O)[O-] 962642947 VJJQPMQTWFFZNA-OZXSUGGESA-N 413.521 4.914 5 1 HJBF O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1Nc1ccc(F)cc1 73197989 OVXXIKQMELSIES-UHFFFAOYSA-N 409.402 4.735 5 1 HJBF Nc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508853 FNVVACQCVMQECG-VWLOTQADSA-N 414.461 4.965 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587865609 DEJOQNACYZQXLW-UHFFFAOYSA-N 417.347 4.741 5 1 HJBF COc1ccc([C@H](c2ccccc2)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587938115 SICGRKUDZAWLLK-FQEVSTJZSA-N 404.382 4.568 5 1 HJBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc(Cl)cc1)c1ccccc12 27868067 HGXOYXWBGLKLTQ-UHFFFAOYSA-N 403.913 5.000 5 1 HJBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1OC 586968305 BZYCRMAUPNWENQ-UHFFFAOYSA-N 415.471 4.681 5 1 HJBF O=C(NCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1cccc(C(F)(F)F)c1 587110910 GJTJPQYJHYSOGH-UHFFFAOYSA-N 421.382 4.608 5 1 HJBF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 586880616 AEKAJPBRPQGJAM-UHFFFAOYSA-N 416.393 4.894 5 1 HJBF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587258228 BMQUTCGOTCVSJE-INIZCTEOSA-N 423.860 4.696 5 1 HJBF O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587647466 YLNFVAAOSLSBEY-UHFFFAOYSA-N 415.405 4.767 5 1 HJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(F)c(Br)cc1F 587943979 ULQJVKDEPGOKAX-SECBINFHSA-N 419.222 4.653 5 1 HJBF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)c1C 586946682 CFGXZRCWKDVBPM-UHFFFAOYSA-N 422.466 4.556 5 1 HJBF N[C@@H](Cc1cccc(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586984291 PPWCNDDONJIISL-INIZCTEOSA-N 418.298 4.664 5 1 HJBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c([N+](=O)[O-])c1)CC2=O 587456456 PBVZTMOCQFVMJX-LJQANCHMSA-N 420.259 4.896 5 1 HJBF CC[C@H](C)CCC[C@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12 1857765461 ZHIGZPDMAWIDEJ-JKXTWKSPSA-N 424.497 4.520 5 1 HJBF COc1cc2sc3cc(NCc4ccc5c(c4)OCO5)ccc3c(=O)c2cc1OC 102833115 QJRCIFDXYSFWLE-UHFFFAOYSA-N 421.474 4.773 5 3 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3c([N+](=O)[O-])cccc23)N1 587752653 SPQVZTNQGPGVPC-XTZNXHDOSA-N 416.250 4.668 5 1 HJBF C[N+](C)(Cc1ccc(I)cc1)CC1C2CC3CC(C2)CC1C3 95563994 NMRNIBXHAIJCKJ-UHFFFAOYSA-N 410.363 4.940 5 1 HJBF CS(=O)(=O)c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925392 HSARKVPHXOCJQK-UHFFFAOYSA-N 420.661 4.502 5 1 HJBF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H]2CCCC[C@@H]21 587027824 SLXVQLBJYQPLAG-CCKFTAQKSA-N 410.499 4.608 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1ccc(SCc4ccco4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587451607 KCUUCIURNXCQPW-AOMKIAJQSA-N 423.446 4.977 5 1 HJBF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587340334 HBOPKYSRZGWLKC-JTHBVZDNSA-N 405.381 4.640 5 1 HJBF CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163418 PNLWJQXKTCDHLH-UHFFFAOYSA-N 411.462 4.552 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1-n1nc2cc1Oc1ccc(F)cc1-2 587874099 QFQOMTJTVFXQHB-UHFFFAOYSA-N 410.239 4.619 5 1 HJBF COc1ccc(-c2ccc([C@@H](O)Cc3cc(OC)c(OC)cc3[N+](=O)[O-])cc2)cc1 653708487 PPFKGCCVKOMBIC-NRFANRHFSA-N 409.438 4.564 5 1 HJBF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587198394 IIWRIEMNRVDSAX-UHFFFAOYSA-N 421.844 4.650 5 1 HJBF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(CCc3ccc([N+](=O)[O-])cc3)c2c1 587650727 RZEYDOVSKZSZGB-UHFFFAOYSA-N 420.490 4.932 5 1 HJBF CCc1ccc(C(=O)CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587956050 RSHMXQGMQUNSST-UHFFFAOYSA-N 402.248 4.612 5 1 HJBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc([N+](=O)[O-])c4[nH]3)cc2)cc1F 587147058 DEWAFWPENUNWIB-UHFFFAOYSA-N 418.428 4.618 5 1 HJBF COCCNc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587262314 QQWQCVVXMCGSMH-UHFFFAOYSA-N 414.771 4.869 5 1 HJBF COc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)cc1OC 587928382 FIQJZUMBHQVISJ-UHFFFAOYSA-N 420.381 4.731 5 1 HJBF COc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc43)n2)cc1 653739162 LOOSXZKNTJGCRY-UHFFFAOYSA-N 417.852 4.915 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079145 ACIVOVANDYTKKD-UHFFFAOYSA-N 405.639 4.890 5 1 HJBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1 63539677 GKQJYCBMMCLAOZ-UHFFFAOYSA-N 405.241 4.973 5 1 HJBF COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c(F)c1Nc1ccccc1 587268697 JHEFNNHBAPMTCK-UHFFFAOYSA-N 410.361 4.709 5 1 HJBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc([N+](=O)[O-])cc1 587389468 KXYNJTAZVKXSJG-NRFANRHFSA-N 420.421 4.993 5 1 HJBF Cc1c(F)ccc2c1[C@@](C)(COc1ccc3c(c1)oc(=O)c1ccccc13)NCC2 962088432 FZELUDJUEYVMGW-RUZDIDTESA-N 403.453 4.834 5 1 HJBF CSc1ccc(Cc2nnc3sc(-c4ccc([N+](=O)[O-])cc4Cl)nn23)cc1 40950126 ACLBHRKSJCNKRG-UHFFFAOYSA-N 417.903 4.727 5 1 HJBF COc1ccc(/C=C/c2onc(C)c2-n2c(C)nc3nc4ccccc4cc3c2=O)cc1 84653889 VBMGAADVCBDHKU-JLHYYAGUSA-N 424.460 4.718 5 1 HJBF CC[C@@]1(O)CCN2Cc3c(c4cc(OC)c(OC)cc4c4cc(OC)ccc34)C[C@H]2C1 95557489 AHDSWUHJYFBJNX-YHAMSUFESA-N 421.537 4.680 5 1 HJBF O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCCNc1ccnc2cc(Cl)ccc12 95596993 JVWQPHNKLCKLHH-JXMROGBWSA-N 424.888 4.818 5 1 HJBF O=[N+]([O-])c1cc(CSc2nnc(-c3cccc(Cl)c3)s2)cc([N+](=O)[O-])c1 221020844 MHBBLFFMKPYEKD-UHFFFAOYSA-N 408.848 4.967 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691113 BZDIYSSRHMCFIJ-HUTHGQBESA-N 413.674 4.948 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1[N+](=O)[O-] 587111278 CJMVGRBYMSMXOU-UHFFFAOYSA-N 403.276 4.613 5 1 HJBF COc1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 587391697 XEOOKWKAEOCHBF-QFIPXVFZSA-N 420.421 4.993 5 1 HJBF COc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587507140 ASDCDKNMCUMEQQ-QHCPKHFHSA-N 418.449 4.979 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1 587697688 ORIRBCLUHKSMJO-XYZCENFISA-N 413.674 4.948 5 1 HJBF CN(C(=O)c1sc2nc(-c3cccs3)ccc2c1N)c1ccc([N+](=O)[O-])cc1 1857631242 BTTWARMZHODCNW-UHFFFAOYSA-N 410.480 4.792 5 1 HJBF Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F 587136499 FXOKEXUOAQKATA-UHFFFAOYSA-N 400.307 4.713 5 1 HJBF O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 68576694 XRTXWUINOXDSQB-WNXIRNOKSA-N 424.456 4.838 5 1 HJBF biogenic CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746132 JGGZLSITDDNCRX-WLRWDXFRSA-N 423.282 4.693 5 1 HJBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587267992 VFZXPYRAHVBJHL-SSDOTTSWSA-N 407.274 4.623 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c([N+](=O)[O-])cccc2cn1 587576917 QEUARVZBDMPXON-OFNKIYASSA-N 414.373 4.552 5 1 HJBF O=[N+]([O-])c1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1 299830192 LMNLRIQXJSUVOV-UHFFFAOYSA-N 417.494 4.593 5 1 HJBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCC[C@@H]1C3 36475162 LTUGUGXKMMPGRF-OAHLLOKOSA-N 407.510 4.938 5 1 HJBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586915535 FSROJBRMGPEOEM-AVRWGWEMSA-N 408.461 4.876 5 1 HJBF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587190281 HABYOYCDFFYRTQ-QGZVFWFLSA-N 400.410 4.567 5 1 HJBF COc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587507138 ASDCDKNMCUMEQQ-HSZRJFAPSA-N 418.449 4.979 5 1 HJBF C[C@@](O)(CSCC(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 13986361 SSCNOQUNERWHCI-GFCCVEGCSA-N 402.316 4.598 5 1 HJBF CCOC(=O)c1c(C)nc(SCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 29316462 GTKFHCXAZIUGDO-UHFFFAOYSA-N 409.467 4.829 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)O2 587414205 LMXFAFDLEXARIM-QGZVFWFLSA-N 420.450 4.568 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1 587693219 MOXOJPLJCYQVSV-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF CCN(CCCN)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12 5850041 JRIMPEODFBNUHP-UHFFFAOYSA-N 419.573 4.659 5 1 HJBF NN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O 6567269 ZYIYLFKDJSEYBG-UHFFFAOYSA-N 409.232 4.732 5 1 HJBF CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1857763272 GPDZSDIOTXQBOP-LFIBNONCSA-N 401.466 4.879 5 1 HJBF C[C@@](O)(CSCc1ccco1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820621 JUUWEZNFCITJCX-MRXNPFEDSA-N 400.378 4.829 5 1 HJBF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccccc4[N+](=O)[O-])s1)[C@@H](C2)C3=O 587449644 GINVNTKLYPIRPF-NYHFZMIOSA-N 407.447 4.995 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1 587697682 ORIRBCLUHKSMJO-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587748975 CKGNXIBBXRDXOO-YYSFKGJASA-N 404.239 4.601 5 1 HJBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135121 DCKAAANSMIQQRW-JKSUJKDBSA-N 423.517 4.524 5 1 HJBF C[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542742 JEXMAWDZANQZGT-NQIIRXRSSA-N 411.797 4.831 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2[N+](=O)[O-])N1 587751498 MZTBVANBRVKJGU-YPMLDQLKSA-N 416.250 4.668 5 1 HJBF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c3cccc1c32 963033066 WVFRWXJVBCGGJP-AMXDTQDGSA-N 423.856 4.651 5 1 HJBF CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2cc3ccccc3cc12 1857592821 QOHCMDWMTLDWRT-JLHYYAGUSA-N 400.501 4.878 5 1 HJBF COc1cc2c(/C=C/[N+](=O)[O-])cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 40952675 OLASTOKVZKBLEA-ONEGZZNKSA-N 404.378 4.535 5 1 HJBF O=[N+]([O-])c1ccc2nc([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)ccc2c1 962723010 ZNYZFHLGCTUDCV-OPAMFIHVSA-N 409.486 4.735 5 1 HJBF COc1cccc2cc3c(nc12)[C@H](c1cc([N+](=O)[O-])c(Cl)cc1Cl)NCC3 963045983 HXSSVHDDQVRNDW-IBGZPJMESA-N 404.253 4.694 5 1 HJBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134381 XPSWVXYXDRQZOY-FOIQADDNSA-N 423.517 4.715 5 1 HJBF Cc1cc(C)cc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)c1 221021104 ZGSBXGIEWPMEJV-UHFFFAOYSA-N 402.457 4.931 5 1 HJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1F 587140264 WFVUCTNIDIWCJQ-UHFFFAOYSA-N 405.998 4.742 5 1 HJBF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746130 JGGZLSITDDNCRX-NSPYISDASA-N 423.282 4.693 5 1 HJBF CCCS(=O)(=O)N1CCC(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 586953149 PKQWGTNJOKWMKB-UHFFFAOYSA-N 407.539 4.789 5 1 HJBF O=C1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587505096 UNFQQCSZDAHAPZ-GOSISDBHSA-N 402.244 4.943 5 1 HJBF CN1C(=O)C[C@H]2CN[C@H](c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c3cccc1c32 963034005 WVFRWXJVBCGGJP-YTEVENLXSA-N 423.856 4.651 5 1 HJBF Cn1ccc2ccc3c4[nH]c5ccc(C(F)(F)F)cc5c4c4c(c3c21)C(=O)NC4=O 13534935 VIISUHVEPJPLBX-UHFFFAOYSA-N 407.351 4.868 5 1 HJBF CCCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134322 OEVGPZPTJLFEOT-UHFFFAOYSA-N 411.506 4.574 5 1 HJBF N[C@H](Cc1cccc(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586984293 PPWCNDDONJIISL-MRXNPFEDSA-N 418.298 4.664 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1 587754052 XNPYKMDSFSBAQG-FKIZINRSSA-N 419.294 4.805 5 1 HJBF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc([N+](=O)[O-])cc1 103948200 BAIBLQPIGSOGTA-CQSZACIVSA-N 412.471 4.662 5 1 HJBF O=[N+]([O-])c1cc(-c2cn3c(n2)sc2ccccc23)ccc1I 68584935 JPMOUFGRPJGVDG-UHFFFAOYSA-N 421.219 4.729 5 1 HJBF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])N1 587752879 UEJRZODTLACWJB-MLCYQJTMSA-N 416.250 4.668 5 1 HJBF Cc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980335 VHFAKKLXIXJAQN-UHFFFAOYSA-N 401.142 4.623 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)c(Cl)cc2[nH]1 587262185 FVOUHZVENHDRTI-NSHDSACASA-N 403.822 4.784 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691643 HMVXUOGMOGHLOA-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1 587754469 YYFUTZYKEPKCOI-NSPYISDASA-N 405.267 4.611 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc([N+](=O)[O-])c(C)c1 587866112 SKTHSLYSUQLWNR-UHFFFAOYSA-N 419.359 4.873 5 1 HJBF CC[C@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135463 NDGWBULCXJBSEM-HNNXBMFYSA-N 411.506 4.667 5 1 HJBF CCOCc1c(OCC)c2c3c(cc4ccc(OC)cc4c3c1OC)N(CC)C2=O 238765321 RJHPFPWLSYPBNF-UHFFFAOYSA-N 409.482 4.926 5 1 HJBF C[C@]1(CCc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573936 DRABSCZJCWKVNJ-NFBKMPQASA-N 405.406 4.654 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc3cccnc23)N1 587752907 UNLWJRADIYASOT-GIGQVBGESA-N 416.250 4.668 5 1 HJBF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587935940 WRLKZUHGIJRLMV-UHFFFAOYSA-N 414.259 4.815 5 1 HJBF O=C(NCC1CCCCC1)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134469 ZATPUUYTMVKOGU-UHFFFAOYSA-N 423.517 4.716 5 1 HJBF O=C(O)c1nc(Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)c2ccccc2n1 299821894 HAPMKFQXJPVHPH-UHFFFAOYSA-N 402.366 4.772 5 1 HJBF CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@]23C)C1 299841456 ZWXGQGCKQDMPAM-OZGFUWLZSA-N 422.674 4.892 5 1 HJBF O=[N+]([O-])c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 587120171 AVEBZGMXGGFQDC-UHFFFAOYSA-N 424.342 4.867 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3cc(F)ccc3[N+](=O)[O-])o1)O2 587386676 WAHWZCZLOWGUJZ-HXUWFJFHSA-N 412.373 4.503 5 1 HJBF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccccc1)c1ccc([N+](=O)[O-])cc1 963052910 FEJRTDNAGMBDIQ-VWLOTQADSA-N 411.461 4.589 5 1 HJBF N=C=C(C(=N)Sc1ccccc1O)c1cccc([C@@H](O)c2cccc([N+](=O)[O-])c2)c1 169718041 QEFYYFHFYRTIQQ-OAQYLSRUSA-N 419.462 4.784 5 1 HJBF 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419.416 4.809 5 1 HJBF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1SC 27760379 HRPHTZYJZLXWIU-BYFYWULKSA-N 420.487 4.518 5 1 HJBF CN1CCCN(c2c3c4ccccc4nc-3n(C)c3ccc(Br)cc23)CC1 103006016 CCAJUYFGFNOJDJ-UHFFFAOYSA-N 423.358 4.736 5 1 HJBF CCSCC(O)(CSCC)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820519 HAIWVBNWNGVBBN-UHFFFAOYSA-N 408.467 4.789 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)[C@@H](C2)C3=O 587452868 PWCSPXMEKSKCGA-JTSKRJEESA-N 423.446 4.977 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751420 MGYNLWBLPJXIRQ-DGIBIBHMSA-N 418.266 4.775 5 1 HJBF O=c1c2ccccc2c2nc3ccccn3c2n1Cc1ccc(OC(F)(F)F)cc1 103232320 HBWYHJMEBNZURV-UHFFFAOYSA-N 409.367 4.749 5 1 HJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587265426 DOPNFXLFFHKOMT-ZETCQYMHSA-N 413.287 4.710 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691642 HMVXUOGMOGHLOA-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF O=C([C@H]1Cc2ccccc2[C@@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12)C(F)(F)F 962730319 NCTCUTDZMAMNPN-IFMALSPDSA-N 424.378 4.513 5 1 HJBF O=C(Nc1ccc2ccccc2c1)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 45168046 PAJNBFFBMATTSG-UHFFFAOYSA-N 404.470 4.534 5 1 HJBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149404 MWQFFNVDJXSGBG-HOTGVXAUSA-N 423.517 4.524 5 1 HJBF O=C(O)c1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)ccc2F)cc1F 587138575 NFKGBDJOGWURMC-UHFFFAOYSA-N 413.311 4.921 5 1 HJBF CC[C@@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82134964 YZLYMHUUJHTXGV-OAHLLOKOSA-N 411.506 4.572 5 1 HJBF Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029013 FCUZOMHBVFGGLQ-UHFFFAOYSA-N 424.489 4.809 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3c([N+](=O)[O-])cccc23)N1 587750288 HKAJKCIBOIHCQH-GIGQVBGESA-N 416.250 4.668 5 1 HJBF COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@H]1CCC[N+]1([O-])C3 35968573 DMXRQESJIQTZCZ-SUUGVPPDSA-N 409.482 4.561 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1 587751728 OGPVJWJHCZDULB-APBUJDDRSA-N 416.250 4.668 5 1 HJBF O=c1c2ccc(Cl)cc2oc2c(CN3CCN(c4ccccc4)CC3)cccc12 1857602505 ZGBJHHKYLFMGKH-UHFFFAOYSA-N 404.897 4.922 5 1 HJBF Cc1ccc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)c([N+](=O)[O-])c1 38279969 BIRHRSCHVXRDLQ-UHFFFAOYSA-N 409.394 4.994 5 1 HJBF Cc1cc(C)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587053138 BRLWSKFKMQXSMD-QGZVFWFLSA-N 400.866 4.868 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O 587431894 ICPQOLCSBOYEDS-CVDCTZTESA-N 403.390 4.884 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(F)cc1[N+](=O)[O-])CC2=O 587464875 CBLOCYTXAVNAPZ-QGZVFWFLSA-N 424.222 4.861 5 1 HJBF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587026406 DFZJPLARTIJRMK-UHFFFAOYSA-N 419.260 4.849 5 1 HJBF CCC(=C(c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 1857627847 JJXVOACEMXWULS-UHFFFAOYSA-N 418.449 4.534 5 1 HJBF C[n+]1cc2c(O)c(OCc3ccccc3)ccc2c2ccc3cc4c(cc3c21)OCO4 101244048 CLMDSCHNQXGHQC-UHFFFAOYSA-O 410.449 4.984 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Cl 586916492 ZWULKNXYHMVYQM-UHFFFAOYSA-N 409.785 4.893 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O 587422487 PURUUGVMSUMXQL-QKKBWIMNSA-N 410.813 4.536 5 1 HJBF Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587576478 OTWFHUCWOKBTQV-REWPJTCUSA-N 405.406 4.572 5 1 HJBF Cc1c(Br)cnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12 587109473 KWKYVRGQACDGFG-UHFFFAOYSA-N 415.169 4.547 5 1 HJBF CN1[C@@H]2CCC[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 27557269 SSZFVGXDYBMVDD-HDICACEKSA-N 420.472 4.913 5 1 HJBF CCN(CC)CCCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1 49807721 DQOOFPWSLNUZET-UHFFFAOYSA-N 402.498 4.809 5 1 HJBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587229858 CSIGIBBWACOFGF-NHCUHLMSSA-N 401.510 4.906 5 1 HJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587261382 AIHAAKCBIBVQJF-UHFFFAOYSA-N 403.438 4.980 5 1 HJBF CN(C)CCOc1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272532 UOVUZNAZFBVCGZ-UHFFFAOYSA-N 418.453 4.871 5 1 HJBF Cc1cc(N(C)Cc2nc3cc(Br)cc(C)c3[nH]2)c([N+](=O)[O-])cc1F 587137393 YCPLLXKFZNCLOD-UHFFFAOYSA-N 407.243 4.626 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1 587712729 AAINAXPKHPDKHN-QZTNRIJFSA-N 417.637 4.913 5 1 HJBF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134845 LQKVZUIWEOGLPX-YZVOILCLSA-N 411.506 4.571 5 1 HJBF Cc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587118492 NWPGSAHZEBQATM-UHFFFAOYSA-N 401.348 4.710 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1[N+](=O)[O-])CC2=O 587457088 FBLUDUOZHIWGOY-QGZVFWFLSA-N 406.232 4.722 5 1 HJBF C[C@@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550810 YVORMMSSDNCOQZ-NQIIRXRSSA-N 411.797 4.831 5 1 HJBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1ccc(C(C)C)cc1 473124145 WHPKOHPIQZJUFE-UHFFFAOYSA-N 423.469 4.659 5 1 HJBF Cc1ccc2c3c(cc(CC(=O)Nc4cccc([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O 587098988 VLCHADFMNWJEDR-UHFFFAOYSA-N 423.428 4.844 5 1 HJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc([N+](=O)[O-])cc1 587863539 BFZSUTZSVJXUBZ-UHFFFAOYSA-N 422.388 4.731 5 1 HJBF COc1ccc(C[C@H](C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC 587926733 OHYFNEOHLFSMCE-JTQLQIEISA-N 420.263 4.597 5 1 HJBF Cc1cccc(C(=O)Nc2ccc(Nc3ccc([N+](=O)[O-])c4ncnc(O)c34)cc2)c1 1857545700 WOODRZRUSTVIRV-UHFFFAOYSA-N 415.409 4.548 5 1 HJBF O=c1c2cc([N+](=O)[O-])ccc2nc(SCc2ccccc2)n1Cc1ccccc1 49071212 UIMZPSFBYKTGJD-UHFFFAOYSA-N 403.463 4.645 5 1 HJBF COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)CC2 587935228 QWHCZUMGESCUNW-NSHDSACASA-N 402.248 4.515 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576377 ODWZXLMTCSJMFC-NFBKMPQASA-N 416.389 4.793 5 1 HJBF Cc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174075 QNNLMGBTXIFNER-UHFFFAOYSA-N 419.416 4.809 5 1 HJBF CCCOc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Br 587270418 OEKCIQMACXRNFM-UHFFFAOYSA-N 404.264 4.808 5 1 HJBF COc1ccc2c(c1OC)[C@@]1(c3ccccc3-c3ccc([N+](=O)[O-])cc31)N(C)[C@H](C)C2 962641863 XWHMCZIBWTVPOI-BZQUYTCOSA-N 416.477 4.761 5 1 HJBF O=[N+]([O-])c1ccc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)cc1 72182549 VGFKVWZYZCIFOH-UHFFFAOYSA-N 414.465 4.725 5 1 HJBF COCCOc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1[N+](=O)[O-] 587265277 NXMADCWRHIPMJI-UHFFFAOYSA-N 420.263 4.543 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 587752366 RMJSBSZDUOTNQH-YYSFKGJASA-N 405.223 4.866 5 1 HJBF OCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 5939118 RRTYDOBAWIJXFL-HPNDGRJYSA-N 406.489 4.767 5 1 HJBF C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)NCCc2cc(-c3ccccc3)ccc21 962656507 BFHCVQZWIFPRGN-DEOSSOPVSA-N 401.466 4.652 5 1 HJBF Nc1sc(Br)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)c1ccccc1 13518380 AEICVHATVQZBGB-UHFFFAOYSA-N 403.257 4.899 5 1 HJBF COc1cc2c3c(c(C)c4ccccc4c3c1OC)N(CCN1CCCCC1)C2=O 40880275 DTAAMPPRVXHTEG-UHFFFAOYSA-N 404.510 4.765 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)c(O)c2[nH]1 587110052 RBAQCNNIDPZFSP-UHFFFAOYSA-N 416.153 4.549 5 1 HJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1F 587140337 ZXMYIMDZYLFWFB-UHFFFAOYSA-N 410.661 4.980 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1 587752910 UOJIKWOCSLIUAM-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF CCCCCCNc1c(F)cc2c(=O)c(C(=O)O)cn3c4ccc(N)cc4oc1c23 1772571837 HDZAGAIUTPPGJN-UHFFFAOYSA-N 411.433 4.611 5 1 HJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)nc1C(F)(F)F 587118004 ILNFQOGQLBDMJA-UHFFFAOYSA-N 405.311 4.541 5 1 HJBF Cc1cc(Br)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587267289 WKIMMRMNAICQJZ-VIFPVBQESA-N 420.223 4.623 5 1 HJBF C[C@H](Cc1ccccc1[N+](=O)[O-])[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574696 GLZVIZVGOVSETD-YFMCZXFPSA-N 419.433 4.900 5 1 HJBF COc1cc([C@@H]2NCCc3ccc(F)c(C)c32)c([N+](=O)[O-])cc1OCc1ccccc1 962381614 YUCMTJQOIPAPMC-DEOSSOPVSA-N 422.456 4.865 5 1 HJBF O=C1[C@H](Oc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nc2ccccc2s1 1772584040 DTSAHPSUIGGWDD-WOJBJXKFSA-N 417.446 4.740 5 1 HJBF COC(=O)c1cc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2cc1OC 587272236 QLRBTHMRXQMHRC-UHFFFAOYSA-N 419.393 4.726 5 1 HJBF C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])c2ccc(F)cc2C[C@@H]2CCCN21 963119060 YXQIJFQZODKWLL-PXNSSMCTSA-N 419.294 4.975 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576385 ODWZXLMTCSJMFC-REWPJTCUSA-N 416.389 4.793 5 1 HJBF O=[N+]([O-])c1ccc2nc(SCCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1 27563698 NUOUVDQBWABUQE-UHFFFAOYSA-N 410.543 4.908 5 1 HJBF Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1 40935185 LNZJMMAGCBQXBS-UHFFFAOYSA-N 404.470 4.508 5 1 HJBF COc1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)cc1OC 45506003 SLDVHSYGHVNEFJ-UHFFFAOYSA-N 419.570 4.788 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1 587698478 QJEFMUCRPOOYNJ-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF O=[N+]([O-])c1cc(Br)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1F 963093365 BMVQLMPCJKRUAU-KZULUSFZSA-N 409.230 4.745 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691641 HMVXUOGMOGHLOA-HUTHGQBESA-N 413.674 4.948 5 1 HJBF CC[C@H](C)CCC[C@@H](C(=O)OC)[C@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12 2356341876 ZHIGZPDMAWIDEJ-WTBBCNCBSA-N 424.497 4.520 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccc1[N+](=O)[O-] 587865844 LPALSMYGRAPHKL-UHFFFAOYSA-N 405.332 4.564 5 1 HJBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587928950 FFSZVHQEMVLDGM-KZULUSFZSA-N 402.248 4.687 5 1 HJBF O=c1oc2ccccc2cc1-c1nc2ccccc2c2nc3c4nsnc4ccc3n12 66259338 ZBUZRDPXERRFEA-UHFFFAOYSA-N 421.441 4.814 5 1 HJBF CCO[P@@](=O)(CC)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 169346806 GAYQBHLKAGEUGS-LJAQVGFWSA-N 412.386 4.755 5 1 HJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@@H]21 587024917 CMRMWHOLKOAFQQ-HFTRVMKXSA-N 410.499 4.608 5 1 HJBF COC(=O)c1cccc2nc3c([C@@H](O)[C@@H](CCCCC(C)C)C(=O)O)cccc3nc12 2356389056 FNSRQTYQIYLNST-VGOFRKELSA-N 424.497 4.520 5 1 HJBF CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 855819 GOPSOGCVMPFJHB-QFIPXVFZSA-N 406.438 4.535 5 3 HJBF O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCNc1ccnc2cc(Cl)ccc12 95595764 URZVDXPLWYTENH-RMKNXTFCSA-N 424.888 4.818 5 1 HJBF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccccc1)c1ccc([N+](=O)[O-])cc1 963052906 FEJRTDNAGMBDIQ-RUZDIDTESA-N 411.461 4.589 5 1 HJBF CC(C)c1ccc([C@H]2[C@H]3CCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857620430 UPEWMRVTGKHBRK-FPOVZHCZSA-N 413.499 4.620 5 1 HJBF O=[N+]([O-])c1ccc(OCCCN2CCC(Nc3nc4ccccc4s3)CC2)cc1 26468905 OQQHIMYQQGMURL-UHFFFAOYSA-N 412.515 4.550 5 1 HJBF CNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587337250 OXRHOLCFQHQPJH-FYYLOGMGSA-N 422.412 4.756 5 1 HJBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NC(C)C)cc1 774401 MWLIXEDSZSYTIK-UHFFFAOYSA-N 415.833 4.717 5 1 HJBF COc1ccc(-n2cc(C(=O)c3ccccc3)c(-c3ccc([N+](=O)[O-])s3)n2)cc1 40949305 ONAOAWNUJDLFJC-UHFFFAOYSA-N 405.435 4.749 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 587269845 RMMKZPHXCFHZEX-UHFFFAOYSA-N 405.227 4.640 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1 587692857 LXTPMVWUBIPSNP-XYZCENFISA-N 413.674 4.948 5 1 HJBF Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745651 ICTUYUIBZWUIFM-BUXKBTBVSA-N 407.283 4.797 5 1 HJBF O=[N+]([O-])c1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c2ncccc12 962993360 IGJHETNNHGMYAO-JOCHJYFZSA-N 402.479 4.747 5 1 HJBF COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)C[C@H]1CCCN1C3 14649159 MBPWXIIJEVGZKP-CQSZACIVSA-N 423.509 4.557 5 1 HJBF biogenic CC(C)(C)C(=O)Nc1nnc(-c2ccc(Nc3ccc(F)cc3)c([N+](=O)[O-])c2)s1 103231258 FKIFUNBTBGMUGO-UHFFFAOYSA-N 415.450 4.981 5 1 HJBF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587041510 WITSECGDXPBMAH-SFHVURJKSA-N 407.499 4.642 5 1 HJBF COc1cc(Cl)cc(C=O)c1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587067267 QYEBZBBUJAEOJH-UHFFFAOYSA-N 418.840 4.713 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1 587692855 LXTPMVWUBIPSNP-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF COc1cc2cc(/C=C/[N+](=O)[O-])c3c4cc5c(cc4ncc3c2cc1OC)OCO5 40380127 OZBGUTYQERYINH-ONEGZZNKSA-N 404.378 4.535 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@H]1CCc2ccccc2[C@@H]1n1ccnc1 66097430 QCFYVSSGTBFDTR-OALUTQOASA-N 403.360 4.793 5 1 HJBF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587329724 ALMQYOQZYISREG-FYYLOGMGSA-N 423.396 4.722 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc([N+](=O)[O-])ccc2n1 587577976 VFZQCZZTIWHWBK-NZQKXSOJSA-N 414.373 4.552 5 1 HJBF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587028019 MNFSKPUZMUJHLI-UHFFFAOYSA-N 404.249 4.661 5 1 HJBF CCN(CC)CCn1cc(CNc2c3ccccc3nc3c2oc2ccccc23)nn1 1772610900 JOAZJFYTLQAHQZ-UHFFFAOYSA-N 414.513 4.680 5 1 HJBF CC(=O)c1c2c(cc3c(=O)c4c(O)cc(O)c(C=CC(C)C)c4oc13)C(C)(C)OC2=O 2356540348 VCYWZHHNWSLHHF-UHFFFAOYSA-N 422.433 4.635 5 1 HJBF Cc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)o1 82163777 FOBGNEXDFLFBLC-UHFFFAOYSA-N 419.416 4.809 5 1 HJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135539 PJQWBBXHZLZUEB-IYBDPMFKSA-N 423.517 4.524 5 1 HJBF Cc1ccc(NC(=O)CSc2nccnc2-c2ccccc2Cl)c([N+](=O)[O-])c1 95559413 YUVQODABTLRKDC-UHFFFAOYSA-N 414.874 4.744 5 1 HJBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc([N+](=O)[O-])c3[nH]1)N2 587031461 NYZKLVKCJUQHMW-JLATVTFTSA-N 415.500 4.598 5 1 HJBF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587114574 UPDQKPOMYLXOME-INIZCTEOSA-N 407.399 4.921 5 1 HJBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1OC(F)F 587131059 UJANRSBXEQABIF-GQCTYLIASA-N 420.328 4.550 5 1 HJBF Cc1cc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2cc1[N+](=O)[O-] 587166429 RXJTVLJEOBPPQB-UHFFFAOYSA-N 407.430 4.886 5 1 HJBF Cc1oc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587269093 POQGMKLOLADJJK-UHFFFAOYSA-N 406.114 4.701 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc([N+](=O)[O-])ccc2o1 587577963 VCVCNYYNWFAESC-SIKLNZKXSA-N 403.346 4.750 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1 587748903 BMKTVWLYCAZAGQ-LZVRBXCZSA-N 404.239 4.601 5 1 HJBF COc1ccc(OC(C)(C)C)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943393 ZCQVJYZYURFOEB-UHFFFAOYSA-N 401.232 4.781 5 1 HJBF CSC1=N[C@H]2/C(=C(/O)OCCCCCSc3ccc([N+](=O)[O-])cc32)C(C)=N1 605590 HDOFHDIMICWWKS-CFBLSMTOSA-N 407.517 4.892 5 1 HJBF CCCCNCCOc1ccc2cc3ccc(OCCNCCCC)cc3nc2c1 29410961 RFSNJQPUVJIJKL-UHFFFAOYSA-N 409.574 4.925 5 1 HJBF O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587279779 ANBHELJMMSQDMR-UHFFFAOYSA-N 401.300 4.777 5 1 HJBF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587340333 HBOPKYSRZGWLKC-GMAHTHKFSA-N 405.381 4.640 5 1 HJBF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2N1 587124694 NWDXQSDQOASDQZ-QMTHXVAHSA-N 423.402 4.830 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(F)cc1Cl 587559022 UXQWAXVVTXMHMY-PXNSSMCTSA-N 415.760 4.796 5 1 HJBF COc1ccc(Cl)c2c1CCN[C@]2(c1cccc([N+](=O)[O-])c1)c1ccccc1F 963256191 BOXLVPMCPAFXOQ-JOCHJYFZSA-N 412.848 4.834 5 1 HJBF Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174738 LGARXIKZBAAKHQ-UHFFFAOYSA-N 401.426 4.936 5 1 HJBF COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747957 SYQJSQGIXMMQRR-NSPYISDASA-N 423.282 4.611 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c([N+](=O)[O-])cccc2cn1 587576920 QEUARVZBDMPXON-REWPJTCUSA-N 414.373 4.552 5 1 HJBF Cc1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1[N+](=O)[O-] 586966715 QRVRSWMVJZKZJC-UHFFFAOYSA-N 420.498 4.589 5 1 HJBF Cc1c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979489 DINPOBIFFIRTCD-UHFFFAOYSA-N 402.035 4.911 5 1 HJBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cccc(-n2cccc2)c1 29340184 SVGOGQXWLDTMCA-QHCPKHFHSA-N 402.454 4.697 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc3c(c2[nH]1)CCCC3 587264739 SJXZAKUEOOSIJF-ZDUSSCGKSA-N 409.442 4.701 5 1 HJBF COc1ccc(C[C@H](C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC 587926885 PQJLLLRYXPTHLN-JTQLQIEISA-N 420.263 4.597 5 1 HJBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(F)cc(F)c2F)cc1NN1CCCCC1 15936802 HTKJQHDMHBYBLA-UHFFFAOYSA-N 412.324 4.525 5 3 HJBF CC(C)[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198287 XFZQTJHRMFVQFJ-SFHVURJKSA-N 400.410 4.576 5 1 HJBF Cn1cc(N(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1 40935187 SOIPUKRJUHBHBK-UHFFFAOYSA-N 422.460 4.647 5 1 HJBF O=C(NCc1cccc(OC(F)(F)F)c1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086282 DQQQMXSKEDSXTA-UHFFFAOYSA-N 423.372 4.547 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1 587692904 IFKMFGFDBOKFTM-HUTHGQBESA-N 413.674 4.948 5 1 HJBF O=C(O)c1cc(F)c(F)cc1Nc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 84705681 LOVPOSXLGZDQCI-UHFFFAOYSA-N 400.337 4.894 5 1 HJBF COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100812716 IHYDROZCUNAQKC-MWLYTLOHSA-N 420.465 4.688 5 1 HJBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cc2c1Nc1ccccc1O2 103299677 QDZWTNAOTCNIDJ-UHFFFAOYSA-N 417.830 4.898 5 1 HJBF COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1C 587054833 MBMNRXHTPLCPLV-SFHVURJKSA-N 416.865 4.569 5 1 HJBF O=C1C[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)Oc2c1ccc1c2CCCC1 587505086 UISIYTHZRFMRLY-SFHVURJKSA-N 402.244 4.943 5 1 HJBF CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645727 IWUFDERQBDWDQD-UHFFFAOYSA-N 407.195 4.821 5 1 HJBF Cn1c2ccccc2c2nn(CCN3CCCC3)c3cc4c(c1c23)C=CC(C)(C)O4 26579204 QQJKUGNZWORECT-UHFFFAOYSA-N 400.526 4.961 5 1 HJBF COc1ccc2c(ccn2CCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1 26994050 DOAAOGYCSASKRL-UHFFFAOYSA-N 409.550 4.803 5 1 HJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511366 GIDILUZVTSDUAR-QHCPKHFHSA-N 418.449 4.979 5 1 HJBF C[C@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549244 ZBDJJLDXFBYEQL-WIYYLYMNSA-N 411.797 4.831 5 1 HJBF COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)nc3cc(C(=O)O)ccc32)cc1 43022003 WCUKCMLUHCBQTH-UHFFFAOYSA-N 417.421 4.561 5 1 HJBF COc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 253635166 WBZLODXOELQXEH-NALOOCOVSA-N 406.438 4.664 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc([N+](=O)[O-])ccc2n1 587577978 VFZQCZZTIWHWBK-REWPJTCUSA-N 414.373 4.552 5 1 HJBF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c3cccc1c32 963033072 WVFRWXJVBCGGJP-VERVWZFWSA-N 423.856 4.651 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1 587696216 DOAQFENLBQILRE-XYZCENFISA-N 413.674 4.948 5 1 HJBF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@H]2CCCC[C@H]21 587027829 SLXVQLBJYQPLAG-ZMYBRWDISA-N 410.499 4.608 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1 587754675 ZZNKDXUDRAVTOG-PRWKNARSSA-N 419.294 4.956 5 1 HJBF COc1ccc(C[C@@H](C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC 587926734 OHYFNEOHLFSMCE-SNVBAGLBSA-N 420.263 4.597 5 1 HJBF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)c12 96168227 HMCIVDUXEFOXBZ-UHFFFAOYSA-N 401.426 4.947 5 1 HJBF Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br 587269008 GUFHUABQWKNLIE-UHFFFAOYSA-N 401.264 4.809 5 1 HJBF O=c1c2cc(Cl)ccc2oc2cc(OCCCCCCCO[N+](=O)[O-])cc(O)c12 1857629414 FUEBETDQPNBSFY-UHFFFAOYSA-N 421.833 4.843 5 1 HJBF O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccc([N+](=O)[O-])cc1 28119590 SKIGNYIGJZDJTH-YRNVUSSQSA-N 421.192 4.706 5 1 HJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149399 MWQFFNVDJXSGBG-IYBDPMFKSA-N 423.517 4.524 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1Br)CC2=O 587457408 YQDFNICXGPAZDC-MRXNPFEDSA-N 406.232 4.722 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1 587751731 OGPVJWJHCZDULB-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586974594 VWTJVCRPYHXXRV-UHFFFAOYSA-N 417.403 4.703 5 1 HJBF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575265 IJLGVCGIJCJVMM-OFNKIYASSA-N 421.405 4.576 5 1 HJBF CCC(CC)c1nnc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)s1 5866747 HDKVXWHMOXHTQS-UHFFFAOYSA-N 403.508 4.593 5 3 HJBF CCN(CC)C(=O)c1ccc2c(c1)c1ccccc1c(=O)n2Cc1ccc(OC)cc1 169327725 VLUCPNPORCPJED-UHFFFAOYSA-N 414.505 4.694 5 1 HJBF O=C1C[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 587494762 AACXSOQQEGBPSE-KRWDZBQOSA-N 418.243 4.648 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1 587692096 JQUGBXIMKWUSMC-HUTHGQBESA-N 413.674 4.948 5 1 HJBF 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CCOC(CCN1C(=O)c2cc(OC)cc3c2c1cc1ccc(OC)cc13)OCC 27108378 IBWORROOULLUSI-UHFFFAOYSA-N 409.482 4.760 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1 587749607 DVJZRRYZIRVVOT-GIGQVBGESA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1F 587182873 PWKJWXTXURPINW-UHFFFAOYSA-N 417.565 4.535 5 1 HJBF C[C@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548297 PKJJTZSIVZTRGA-GHTZIAJQSA-N 411.797 4.831 5 1 HJBF C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578765 XLMQUMSQWLFQNS-NZQKXSOJSA-N 416.389 4.659 5 1 HJBF O=c1c2ccccc2c(O)nc2c(-c3nnc(-c4ccccc4Cl)o3)cccc12 1857639091 FQYQUHNYUCDMRI-UHFFFAOYSA-N 401.809 4.824 5 1 HJBF O=[N+]([O-])c1cccc(CNCC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 45230515 PNZNFJIOXQYGHB-UHFFFAOYSA-N 407.436 4.615 5 1 HJBF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163677 NCUBHYILOCZNOM-OKILXGFUSA-N 407.474 4.806 5 1 HJBF Cc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1F 587053210 CUOPNHKYTODRPF-QGZVFWFLSA-N 404.829 4.699 5 1 HJBF COC(=O)C(=O)c1c2ccc(Br)cc2n2ccc3c4ccccc4[nH]c3c12 14440774 GZHNJCJIYJPRDK-UHFFFAOYSA-N 421.250 4.845 5 1 HJBF biogenic COc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 100810905 WBZLODXOELQXEH-LEPXPSNSSA-N 406.438 4.664 5 1 HJBF Brc1cnc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cccn12 587007708 OCYCPPQTVHZOKJ-UHFFFAOYSA-N 415.254 4.737 5 1 HJBF Cc1nn(Cc2ccccc2-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587264286 FLRQKWKICUMSAP-UHFFFAOYSA-N 417.256 4.702 5 1 HJBF Fc1ccc(-n2cc(Cn3c4ccccc4c4nc5ccccc5nc43)nn2)c(F)c1 98082908 HIVGHCMTLBGQIQ-UHFFFAOYSA-N 412.403 4.645 5 1 HJBF O=C(O)c1nc2ccc(I)cc2c2[nH]c3c(Cl)cccc3c12 230506579 WGBRJADREQKUMW-UHFFFAOYSA-N 422.609 4.826 5 1 HJBF in-vitro COc1cc(/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587046715 KNSKDDHGOOQNJC-SNAWJCMRSA-N 402.838 4.733 5 1 HJBF CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1772623930 GSTFNVSLEKQBPH-UHFFFAOYSA-N 410.518 4.893 5 1 HJBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 587071687 OVTCIQHTIOIFPA-HNNXBMFYSA-N 416.865 4.933 5 1 HJBF Cc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507932 DJOZSDOMXIFZBE-JHUUHBRDSA-N 406.482 4.718 5 1 HJBF O=[N+]([O-])c1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 1857566404 MOYFQOFWKQZWBE-UHFFFAOYSA-N 417.509 4.539 5 1 HJBF O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1 43011811 XWQTXZRHBVUMCB-PKOBYXMFSA-N 419.890 4.540 5 1 HJBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCc1ccc([N+](=O)[O-])cc1C3 586987710 RDHVMDFQDHMHMJ-UHFFFAOYSA-N 408.413 4.749 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 587270456 YMMKCWDCEZTCLM-UHFFFAOYSA-N 405.227 4.640 5 1 HJBF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n(C)c2ccccc12 66104515 LPXSAPLUDNTXOW-UHFFFAOYSA-N 407.470 4.585 5 1 HJBF Cc1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Br)cc1[N+](=O)[O-] 586979973 LPTCAOQMYGZBIW-UHFFFAOYSA-N 412.146 4.531 5 1 HJBF Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1[N+](=O)[O-] 587026954 NTJQZLGSLQYKRC-QSFXBCCZSA-N 424.526 4.916 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])N1 587752273 QJFOMWRXVIDDPX-XTZNXHDOSA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587950423 LMRBYVQRRYVYDH-UHFFFAOYSA-N 406.280 4.719 5 1 HJBF O=[N+]([O-])c1ccc2[nH]cc(-c3nsc(-c4c[nH]c5ccc([N+](=O)[O-])cc45)n3)c2c1 72126251 YWBLUDAZVRKAIT-UHFFFAOYSA-N 406.383 4.651 5 1 HJBF Cc1cc(/C=C/c2cc(=O)oc3cc(O)c(Br)cc23)cc(C)c1[N+](=O)[O-] 299822754 DFSYRAYDRIKXGL-ONEGZZNKSA-N 416.227 4.957 5 1 HJBF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3c2)cc1 587160636 XZLJAHGXHLESKU-UHFFFAOYSA-N 407.357 4.856 5 1 HJBF CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587645654 GIPJODOQFGZZFV-UHFFFAOYSA-N 407.195 4.821 5 1 HJBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3c(Br)cccc3c21 13519352 KYWAFRQKAIEBNH-UHFFFAOYSA-N 404.223 4.602 5 1 HJBF CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134841 LQKVZUIWEOGLPX-QMTMVMCOSA-N 411.506 4.571 5 1 HJBF COc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@H]2CC[C@H]1C2 253635161 WBZLODXOELQXEH-IWLRYUQBSA-N 406.438 4.664 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1 587752911 UOJIKWOCSLIUAM-GIGQVBGESA-N 416.250 4.668 5 1 HJBF CCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)cc(OC)cc3[nH]c2c1 1857571407 YDDJESGDAOORQG-UHFFFAOYSA-N 402.922 4.844 5 1 HJBF COc1cc2oc3cc(O)c4c(c3c(=O)c2c2c1CCC(C)(C)O2)CCC(C)(C)O4 14681537 MSKDLXUNTXMMKI-UHFFFAOYSA-N 410.466 4.868 5 1 HJBF biogenic O=C(c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 82149579 UXGPPEIFUATVNB-UHFFFAOYSA-N 423.517 4.670 5 1 HJBF C[C@@]1(c2cc(F)cc([N+](=O)[O-])c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959153 QICVFZRZCOIHAT-IBGZPJMESA-N 424.394 4.668 5 1 HJBF O=[N+]([O-])c1cccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 587022078 VEOFKGMCLMTEKS-UHFFFAOYSA-N 414.450 5.400 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncccc2c1[N+](=O)[O-] 587574680 GHIIMMBIYMPIBZ-XXBNENTESA-N 414.373 4.552 5 1 HJBF O=[N+]([O-])c1ccc(N2CCC3(CC2)c2ccsc2CCN3Cc2ccco2)cc1 962713941 XPEZGSQSFMGNEU-UHFFFAOYSA-N 409.511 4.803 5 1 HJBF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4[N+](=O)[O-])cc3)c12 96168069 WCMJUEVYNVDMJH-UHFFFAOYSA-N 401.426 4.947 5 1 HJBF COc1ccc2c(C(=O)c3cccc([N+](=O)[O-])c3)c(-c3ccc(OC)c(O)c3)[nH]c2c1 96937888 WSLXKRNHWDXCMH-UHFFFAOYSA-N 418.405 4.697 5 1 HJBF Cn1c2ccccc2c2c3c(cccc31)c1ccc(NC(=O)C(F)(F)F)cc1[n+]2C 101456601 LQSLAVJGNRWUDR-UHFFFAOYSA-O 408.403 4.963 5 1 HJBF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587271996 MURBMTNZLLWWCQ-UHFFFAOYSA-N 423.450 4.724 5 1 HJBF Cc1ccc(CN2C(=O)C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 653739158 KEGCXJSEBAUYKL-CAOCKLPOSA-N 416.477 4.603 5 1 HJBF Cc1ccc(CN(c2ccc([N+](=O)[O-])cc2)c2cc(C(=O)N3CCCC3)n(C)c2)cc1 40918993 CYGMIPBSBBLIPQ-UHFFFAOYSA-N 418.497 4.816 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2c1[N+](=O)[O-] 587573924 DOQIALRCPGTMNR-JPYJTQIMSA-N 414.373 4.552 5 1 HJBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587229861 CSIGIBBWACOFGF-RTWAWAEBSA-N 401.510 4.906 5 1 HJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)o1 587264243 DMNRIDRRGNPFQB-UHFFFAOYSA-N 403.167 4.695 5 1 HJBF C[C@]1(COc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333760 IBBVYCHBGOTPMB-JTHBVZDNSA-N 423.396 4.636 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn13)O2 587391850 ZKVNYKGMQGNIAL-LJQANCHMSA-N 414.421 4.507 5 1 HJBF O=C(O)c1cccc2c1CCN[C@]2(Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 963127785 YOKRQGJAZBHDSQ-HSZRJFAPSA-N 422.868 4.578 5 1 HJBF Cc1cc(F)ccc1N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=Nc1ccc(F)cc1C 1857586935 MADHRFGFNYPTBN-UHFFFAOYSA-N 421.407 4.764 5 1 HJBF Cc1c([C@H](C)c2c(F)cccc2F)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862876 DHEIZGQZZRBYQY-LLVKDONJSA-N 417.437 4.709 5 1 HJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Cl 587047980 OONISLUAYDKKKK-DUXPYHPUSA-N 423.610 4.966 5 1 HJBF O=Cc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N2CCC(C(F)(F)F)CC2)c[nH]1 587646457 UCBOKUSSWMCPLE-UHFFFAOYSA-N 406.364 4.662 5 1 HJBF COC(=O)c1cccc2nc3c([C@H](O)[C@@H](CCCCC(C)C)C(=O)O)cccc3nc12 2356389057 FNSRQTYQIYLNST-VGSWGCGISA-N 424.497 4.520 5 1 HJBF COc1c(O)c(CC=C(C)C)cc2oc3c4c(cc(O)c3c(=O)c12)O[C@H](C)C4(C)C 2356567550 YJTIKPJVPVRZFK-GFCCVEGCSA-N 410.466 4.933 5 1 HJBF O=[N+]([O-])c1cnc(-n2ccnc2-c2ccccc2)nc1Nc1ccc2ncsc2c1 64516562 WLZGRRFIPZVAHE-UHFFFAOYSA-N 415.438 4.591 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587269394 MUOXVTLJMUOCHU-UHFFFAOYSA-N 410.437 4.835 5 1 HJBF Cc1sc2c(c1C)CCN[C@]21c2cc([N+](=O)[O-])ccc2-c2noc(C(C)(C)C)c21 963005726 FOJBKKWKQXRRCO-QFIPXVFZSA-N 409.511 4.977 5 1 HJBF Cc1c2c(c3oc4c(C(=O)O)c(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@H]5C)O[C@H](C)[C@H]2C 238785585 KHKBBPWTNDAWPC-GAJNKVMBSA-N 424.449 4.687 5 1 HJBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1 587071688 OVTCIQHTIOIFPA-OAHLLOKOSA-N 416.865 4.933 5 1 HJBF O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccccc1 587217350 CKDOQTHGPAISHV-IBGZPJMESA-N 406.829 4.644 5 1 HJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c1 587269447 CQQKCISJBJNQFW-UHFFFAOYSA-N 420.738 4.614 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587749099 XAUIQQHKIGHINY-XTZNXHDOSA-N 409.255 4.519 5 1 HJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587160187 KXWUPZUYYKHEGP-UHFFFAOYSA-N 415.016 4.802 5 1 HJBF CN(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169639 FNZZEGFDPLEPQN-UHFFFAOYSA-N 419.481 4.829 5 1 HJBF C[C@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328564 AZOABGMTNWURCD-RBBKRZOGSA-N 411.360 4.853 5 1 HJBF COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] 587331064 DDLAYWIHTOKFJD-NZQKXSOJSA-N 423.396 4.722 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1 587754674 ZZNKDXUDRAVTOG-GIPWTMENSA-N 419.294 4.956 5 1 HJBF C[C@]1(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 115605433 YLVQZTKLHNULPT-LJQANCHMSA-N 419.359 4.707 5 1 HJBF CN1[C@@H]2CC[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 27557062 MDHNNGDJYHAYKJ-CALCHBBNSA-N 406.445 4.522 5 1 HJBF CN(C(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82148647 HKYWOZYDZVEZFN-UHFFFAOYSA-N 423.517 4.811 5 1 HJBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577946 UYWWDZQYLZEFJD-NZQKXSOJSA-N 405.406 4.958 5 1 HJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)c(O)c(-c3cccc(Cl)c3)oc12 299864469 RIUIWQAAZHXLDR-UHFFFAOYSA-N 412.825 4.998 5 1 HJBF CCc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587055327 OSOULMBWEWSFNK-GOSISDBHSA-N 400.866 4.814 5 1 HJBF C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC2c3ccccc3C1c1ccccc12 5534777 RWELAKLWFPYJLK-MXJXRJBTSA-N 400.434 4.926 5 1 HJBF in-vitro Cc1c(F)cccc1-c1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc([N+](=O)[O-])c1 587135812 OXVDUQMKDYFEGO-HXUWFJFHSA-N 405.389 4.976 5 1 HJBF Cc1cccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C[C@H]2CCCN21 963095987 DQEBYWHHFDNXBO-HYBUGGRVSA-N 403.457 4.750 5 1 HJBF COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCN)c4c(C)c3c2c1 1654681 DJOIHEFMQSELQL-UHFFFAOYSA-N 419.573 4.577 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587269926 UEQCMUNSRNJBRY-UHFFFAOYSA-N 422.670 4.549 5 1 HJBF Cc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174650 NVRXVDQZCUNGMP-UHFFFAOYSA-N 419.416 4.809 5 1 HJBF COc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(F)cc1[N+](=O)[O-] 586988308 IQGKUTCONIDGQA-UHFFFAOYSA-N 416.364 4.875 5 1 HJBF Nc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)sc2cc(Br)ccc12 587030607 GIWQSDOKPKVZBL-UHFFFAOYSA-N 407.224 4.837 5 1 HJBF Cc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745646 ICTUYUIBZWUIFM-BLVKFPJESA-N 407.283 4.797 5 1 HJBF CCCOCC[N+](C)(CCOCCC)COC(=O)[C@H](c1ccccc1)C1CCCC1 27548718 YUCOBCPAAUSZGV-XMMPIXPASA-N 420.614 4.761 5 1 HJBF COc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261202 YJYZTQVGSYQWCN-UHFFFAOYSA-N 405.410 4.734 5 1 HJBF O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2c2nc3ccccc3n12 66259337 DIEHRFBRARAXDH-UHFFFAOYSA-N 408.373 4.717 5 1 HJBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 587067991 FMLRZEZMBAGUDQ-UHFFFAOYSA-N 406.789 4.632 5 1 HJBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587267324 ISANZJHNPQULSV-LBPRGKRZSA-N 404.455 4.862 5 1 HJBF O=c1ccc2c3c(cc[n+]2Cc2ccc(OCc4ccccc4)cc2)c2ccccc2n13 653808726 CLDJHUJHTCXYGJ-UHFFFAOYSA-N 417.488 4.959 5 1 HJBF Cc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2ccc(Cl)cc2)nn1 299870895 XCFCTDRCHLMUSN-UHFFFAOYSA-N 414.896 4.805 5 1 HJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)c1 587270985 ZXJCWBOHRICIOR-UHFFFAOYSA-N 411.215 4.668 5 1 HJBF COc1ccc2c(c1)c(=O)c1ccccc1n2Cc1nc(-c2ccc(Cl)cc2)no1 653717881 SWUKVIZXKUMXMH-UHFFFAOYSA-N 417.852 4.915 5 1 HJBF CC(=O)Oc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)NCCc3c2sc(C)c3C)cc1 963016398 YNWXEYSSJSRICN-QHCPKHFHSA-N 422.506 4.636 5 1 HJBF C[N+](C)(CCCN1CC(c2ccccc2)(c2ccccc2)NC1=O)Cc1ccccc1 34802332 WIIBRUOYQHSWSJ-UHFFFAOYSA-O 414.573 4.622 5 1 HJBF O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCN1CCCCC1)C2 473154391 GVHMIITYJHGIIV-HXUWFJFHSA-N 415.537 4.837 5 1 HJBF Cc1c(-c2nc3ccc(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980438 ZFBQMTVDOHIYDT-UHFFFAOYSA-N 411.053 4.972 5 1 HJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc([N+](=O)[O-])c1 587864277 NPOCSNRIHLWYDS-UHFFFAOYSA-N 422.388 4.731 5 1 HJBF CC(C)(C)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587269644 KWNOKEHZCLGMCY-UHFFFAOYSA-N 406.486 4.788 5 1 HJBF C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)NCCc2cccc(-c3ccccc3)c21 962667091 MNJXDQHCKXQHSC-DEOSSOPVSA-N 401.466 4.652 5 1 HJBF O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCCCC1 27630817 YQMLLGZKCIGBDZ-UHFFFAOYSA-N 411.893 4.836 5 1 HJBF COc1ccc(-c2nc(Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1OC 103256167 GREUUZTVKZZOGK-UHFFFAOYSA-N 402.410 4.966 5 1 HJBF CC1(C)O[P@@](=O)(c2ccccc2)C=C1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1642301 QVLHDKYXYKJAPF-AREMUKBSSA-N 406.356 4.849 5 1 HJBF O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)Sc1ccccc1O2 5596947 FABLLKBJEZGNJS-UHFFFAOYSA-N 423.475 4.979 5 1 HJBF N=C=C(C(=N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc([N+](=O)[O-])cc2)c1 169718012 BPHMPXMBWQWNKU-OAQYLSRUSA-N 418.478 4.660 5 1 HJBF O=C(OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1)c1ccc(Cl)cc1 1857559859 BYEQJBIOVIDPID-UHFFFAOYSA-N 402.834 4.747 5 1 HJBF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82174112 WMXSXSDZFSFPHK-UHFFFAOYSA-N 405.414 4.837 5 1 HJBF Clc1cnc(Br)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)n1 587005639 NZOOEZFZHQYKTQ-UHFFFAOYSA-N 411.650 4.532 5 1 HJBF Cc1c(F)ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587054317 JTIHBGBWUHXIKX-INIZCTEOSA-N 404.829 4.699 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1 587691358 DYJDZTFRAZWWBQ-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746055 IUUVCVOIZOGCIS-MLCYQJTMSA-N 409.255 4.519 5 1 HJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)nc1C(F)(F)F 587117510 DZKLLTCPDAMRPA-UHFFFAOYSA-N 405.311 4.541 5 1 HJBF C[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129843 LXOAIPXPZDJQCZ-SCSAIBSYSA-N 409.702 4.945 5 1 HJBF COc1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260881 KGWGNVGIWJWWAG-UHFFFAOYSA-N 405.410 4.734 5 1 HJBF O=C1C[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)Oc2c1ccc1c2CCCC1 587497601 CXPCQIPHGTVWMW-KRWDZBQOSA-N 418.243 4.648 5 1 HJBF CCn1ccnc1[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12 29231833 SPCKTJSHKWCWJB-QFIPXVFZSA-N 414.465 4.678 5 1 HJBF Cc1nc(N[C@@H]2CCOc3ccc([N+](=O)[O-])cc32)cc(-c2ccc3ncsc3c2)n1 205830519 DBLBKPDEASZLFX-MRXNPFEDSA-N 419.466 4.906 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 587748639 AUNJEDMNIPBGJV-LZVRBXCZSA-N 404.239 4.601 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3c([N+](=O)[O-])cccc23)N1 587752651 SPQVZTNQGPGVPC-MLCYQJTMSA-N 416.250 4.668 5 1 HJBF O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)n1nc2cc1Oc1ccc(F)cc1-2 587875918 VGMUJVBDCIGFRH-UHFFFAOYSA-N 421.340 4.564 5 1 HJBF Cc1c(F)ccc2c1[C@](C)(COc1ccc3c(c1)oc(=O)c1ccccc13)NCC2 962088454 FZELUDJUEYVMGW-VWLOTQADSA-N 403.453 4.834 5 1 HJBF COc1ccc(/C=C/c2nc3cc4ccccc4cc3c(=NCCCN(C)C)[nH]2)cc1 1857582924 QLZMCACGDNAWHG-SDNWHVSQSA-N 412.537 4.748 5 1 HJBF COc1cc2c3sc4cc(Cl)ccc4c(=O)c3n(CCN(C)C)c2cc1OC 1857583999 GRCAWPJUWVOYLY-UHFFFAOYSA-N 416.930 4.602 5 1 HJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Cl 587047983 OONISLUAYDKKKK-RQOWECAXSA-N 423.610 4.966 5 1 HJBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587271088 ZYERXSVVZFGJTL-LBPRGKRZSA-N 418.297 4.751 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O 587422484 PURUUGVMSUMXQL-LHSJRXKWSA-N 410.813 4.536 5 1 HJBF CN(C)CCNC(=O)c1cccc2c1nc(-c1cccc(Cl)c1)c1ccccc12 27850242 LXWSCOAWJJUNKB-UHFFFAOYSA-N 403.913 5.000 5 1 HJBF Cc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979756 KQJWCPCUOSHUJZ-UHFFFAOYSA-N 411.599 4.771 5 1 HJBF CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645869 MYOUEWFSDZODLN-UHFFFAOYSA-N 407.195 4.821 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1 587751733 OGPVJWJHCZDULB-GIGQVBGESA-N 416.250 4.668 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc3cccnc23)N1 587753373 VLGMJZMIPWCLQU-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc([N+](=O)[O-])c1 587866348 YOJPEYNDUNQTHF-UHFFFAOYSA-N 405.332 4.564 5 1 HJBF C[n+]1c2ccccc2nc2c1c1cc(F)ccc1n2CCCC[N+]1(C)CCCCC1 1857546124 XPRVGFYFRCESOG-UHFFFAOYSA-N 406.549 4.717 5 1 HJBF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)CC2=O 587472709 LGAYUMXHGRUCMJ-XMMPIXPASA-N 418.449 4.744 5 1 HJBF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H]2CCCC[C@H]21 587027827 SLXVQLBJYQPLAG-KYNGSXCRSA-N 410.499 4.608 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)cc2[nH]1 587109477 LHHLCNNMXOPJMA-UHFFFAOYSA-N 400.154 4.843 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c([N+](=O)[O-])c1)CC2=O 587456009 IQZCHUZUPFZHCY-KRWDZBQOSA-N 406.232 4.722 5 1 HJBF CCC(=O)COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCCN1C3 103179196 JWRUIWYXISGXRL-INIZCTEOSA-N 419.521 4.889 5 1 HJBF Nc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587508850 FNVVACQCVMQECG-RUZDIDTESA-N 414.461 4.965 5 1 HJBF Cc1onc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1COc1ccccc1Cl 587063766 VZWWGNRDVMEBJF-UHFFFAOYSA-N 402.769 4.806 5 1 HJBF CSc1ccc(Cc2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1 40564332 JHHKELQJIHMILF-UHFFFAOYSA-N 403.463 4.607 5 1 HJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1F 587139357 IKNBTJSORHCEOE-UHFFFAOYSA-N 415.562 4.601 5 1 HJBF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586962387 DQKHTEAQDUDUAA-SFHVURJKSA-N 402.483 4.707 5 1 HJBF Cc1cc(Br)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 587137009 OMOMMTNFIHBEES-UHFFFAOYSA-N 407.243 4.626 5 1 HJBF O=C(c1ccc(COc2cccc([N+](=O)[O-])c2)o1)n1nc2cc1Oc1ccc(F)cc1-2 587875036 METLFEBDXAYXCZ-UHFFFAOYSA-N 421.340 4.564 5 1 HJBF COc1ccc2c(c1OC)[C@@]1(c3ccccc3-c3ccc([N+](=O)[O-])cc31)N(C)[C@@H](C)C2 962641874 XWHMCZIBWTVPOI-MQNRADLISA-N 416.477 4.761 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1 587701994 YMNDXGSKWCUKDG-XYZCENFISA-N 413.674 4.948 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1 587749235 CYBBQCPOAMKFLW-GIPWTMENSA-N 419.294 4.956 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncccc3c2[N+](=O)[O-])N1 587752274 QJFOMWRXVIDDPX-YPMLDQLKSA-N 416.250 4.668 5 1 HJBF COc1c(O)cc2oc3cc4oc(C(C)(C)O)cc4c(O)c3c(=O)c2c1CC=C(C)C 238766361 HLQSXLLGRASXOM-UHFFFAOYSA-N 424.449 4.848 5 1 HJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccc1[N+](=O)[O-])CC2=O 587457333 GQZUGZHPSUAJCI-LJQANCHMSA-N 420.259 4.896 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)cccc2[N+](=O)[O-])N1 587692097 JQUGBXIMKWUSMC-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587749096 XAUIQQHKIGHINY-MGNBDDOMSA-N 409.255 4.519 5 1 HJBF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587041597 ZUGLVTDIZBDSOL-AWEZNQCLSA-N 407.499 4.642 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC2=O 587466040 LKEWUAMFPDPQKE-MRXNPFEDSA-N 423.368 4.569 5 1 HJBF C[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540900 CCQORSMAAXYZGF-GHTZIAJQSA-N 411.797 4.831 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c3cccnc23)N1 587750656 JKMPYJIULXAAFB-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF Cc1ccc([C@]2(C)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1[N+](=O)[O-] 962642948 VJJQPMQTWFFZNA-ZEQKJWHPSA-N 413.521 4.914 5 1 HJBF C[n+]1cccc(C(=O)OCCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 27075633 HNHKQMUXXICIQB-UHFFFAOYSA-N 410.494 4.572 5 1 HJBF O=[N+]([O-])c1cnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 587110999 MJGGLOXBNNGOCW-UHFFFAOYSA-N 404.270 4.689 5 1 HJBF O=C(OCc1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12)c1ccccc1 587279748 QMZYUNKMPFMHCM-UHFFFAOYSA-N 401.374 4.929 5 1 HJBF COc1ccc2c(c1OC)c(CC(C)C)[n+]1c3c2ccc2c4c(cc(c23)CC1)OCO4 1857610166 LWVGWZRCVPWVTQ-UHFFFAOYSA-N 416.497 4.934 5 1 HJBF CC(C)CN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134452 ADCHAHMMSBZYKS-UHFFFAOYSA-N 411.506 4.524 5 1 HJBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263035 JKJRIMDTTIXGDM-YUELXQCFSA-N 420.494 4.500 5 1 HJBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147638 WPQYBPSNYKQVPX-FOIQADDNSA-N 423.517 4.715 5 1 HJBF CCCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147933 WUUSHZDEGXGUAX-UHFFFAOYSA-N 411.506 4.574 5 1 HJBF O=c1cc(-c2ccccc2)oc2ccc(N3COc4c(cccc4[N+](=O)[O-])C3)cc12 103172344 JHVNFBMSSXACDC-UHFFFAOYSA-N 400.390 4.725 5 1 HJBF COc1cc2c3c(c4ccc(NC(C)=O)cc4c2cc1OC)CN1CCCC[C@H]1C3 473119718 MHAXCWVRRQLMRH-KRWDZBQOSA-N 404.510 4.879 5 1 HJBF Cc1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2cc1[N+](=O)[O-] 587116470 YKJQKTUVQCGXNZ-UHFFFAOYSA-N 401.142 4.623 5 1 HJBF CC(C)(C)OC(=O)Nc1c(CCCCC2OCCO2)[nH]c2cccc([N+](=O)[O-])c12 587646503 CZIOCKLFRZAWIO-UHFFFAOYSA-N 405.451 4.509 5 1 HJBF CC(=O)c1ccc2c(c1O)c(O)c1c3c(c(O)cc(C)c32)C(=O)c2c(O)cc(C)cc2-1 2356628965 MFTNXXKARRKYHT-UHFFFAOYSA-N 414.413 4.846 5 1 HJBF O=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-] 33817151 FCJTVFHWEDYFOL-UHFFFAOYSA-N 404.451 4.665 5 1 HJBF CC(C)(O)[C@H]1Cc2ccc(OC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)cc3)cc2O1 72175324 JVDAKFOHBGWJBR-JOCHJYFZSA-N 419.433 4.555 5 1 HJBF Cc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174893 YXLXKKGSKSWHHJ-UHFFFAOYSA-N 415.453 4.978 5 1 HJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(C)cc4)c3oc2c1OC 96935354 BEHRSKFBXHRVPO-UHFFFAOYSA-N 406.434 4.956 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc([N+](=O)[O-])ccc2n1 587577977 VFZQCZZTIWHWBK-OFNKIYASSA-N 414.373 4.552 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1 587747870 QMWBKWMAEKNOLT-JEOXALJRSA-N 405.267 4.684 5 1 HJBF C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 13863342 BGRKYPKEPNKVGH-OPAMFIHVSA-N 421.453 4.973 5 1 HJBF Cc1cc2[nH]c(-c3cc(I)ccc3Cl)nc2cc1[N+](=O)[O-] 587182534 KILPKTAZBSMFGT-UHFFFAOYSA-N 413.602 4.705 5 1 HJBF O=C1Nc2ccccc2[C@H]1[C@@H](C(=O)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 73138692 JSRIHPSOTRAYNB-VXKWHMMOSA-N 411.417 4.779 5 1 HJBF CC[C@H](C)NC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135606 ZVVCZHZRJDCYLK-HNNXBMFYSA-N 411.506 4.572 5 1 HJBF CCCCc1cc(=O)oc2cc(OCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)ccc12 586917375 AHDZFOLNOXWOBJ-UHFFFAOYSA-N 411.389 4.638 5 1 HJBF O=c1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587054330 GLLXAYABDGRBOY-UHFFFAOYSA-N 415.236 4.655 5 1 HJBF COc1ccc2nc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)sc2c1 587035776 SQOFJEFEISZHOY-UHFFFAOYSA-N 405.233 4.519 5 1 HJBF CCc1ccc(C(=O)CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587954758 AATLHBYJHDUEHG-UHFFFAOYSA-N 402.248 4.612 5 1 HJBF CN(C)CCCNc1c2ccccc2nc2c1oc1ccc(OCCCN(C)C)cc12 199389306 ODBOSVUXMVDZLP-UHFFFAOYSA-N 420.557 4.828 5 1 HJBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587121778 KZPBMASGYMELOS-UHFFFAOYSA-N 421.360 4.864 5 1 HJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587261556 CSNNZNROMQCDMV-UHFFFAOYSA-N 415.755 4.953 5 1 HJBF O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1 587265445 UJWHVURMAVJRPZ-UHFFFAOYSA-N 400.700 4.642 5 1 HJBF Cc1ccc([C@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507934 DJOZSDOMXIFZBE-UMHMGIAYSA-N 406.482 4.718 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587749210 CTKDNAQMCGRKGG-AYLIAGHASA-N 418.266 4.910 5 1 HJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587160461 SQILAZRDMHDCLB-UHFFFAOYSA-N 420.116 4.938 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587432261 IWVDJIUVNOHJNN-YADARESESA-N 417.417 4.671 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)c(OC)c1[N+](=O)[O-])CC2=O 587465287 GMVSWDVALQSUJZ-MRXNPFEDSA-N 423.368 4.569 5 1 HJBF Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587747147 MIWXSUUYFQIVFL-HXPMCKFVSA-N 407.283 4.797 5 1 HJBF O=Cc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N2CCC(C(F)(F)F)CC2)c[nH]1 587645736 CFKJCCYMTZAOSO-UHFFFAOYSA-N 406.364 4.662 5 1 HJBF COc1ccc2nc(NC(=O)Cc3cc(=O)oc4ccc5ccccc5c34)sc2c1 71335063 CDKKGSSZRRHAOZ-UHFFFAOYSA-N 416.458 4.746 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Cl 587081833 HIEITDYWTZOXLM-UHFFFAOYSA-N 404.213 4.678 5 1 HJBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1 587273103 HXNYIMWALMLOMX-UHFFFAOYSA-N 404.455 4.577 5 1 HJBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)cc1Cl 587644964 SFQYOADUKAJPBG-UHFFFAOYSA-N 407.209 4.791 5 1 HJBF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Cl)c1OCC(C)C 587047591 YFVKJIIRZAFFJG-PLNGDYQASA-N 402.838 4.733 5 1 HJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc([N+](=O)[O-])c1 587135811 OXVDUQMKDYFEGO-FQEVSTJZSA-N 405.389 4.976 5 1 HJBF O=C(Nc1ccccc1[N+](=O)[O-])Nc1ncnc2c1sc(=S)n2-c1ccccc1 45287314 PKCGYUNAJXFAGQ-UHFFFAOYSA-N 424.467 4.764 5 1 HJBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2cccc(N3CCCC3)n2)c1 299835235 LAZKUKDLAXHLPY-UHFFFAOYSA-N 403.442 4.901 5 1 HJBF Cc1nn2c(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)c(-c3ccc(Cl)cc3)nc2s1 299866228 VLACXEIYQNWNQU-UHFFFAOYSA-N 410.846 4.871 5 1 HJBF CC(C)Cc1ccc([C@H](C)c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1 653709706 NWJVXWWFRFIYFC-HNNXBMFYSA-N 421.526 4.895 5 1 HJBF COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747958 SYQJSQGIXMMQRR-WLRWDXFRSA-N 423.282 4.611 5 1 HJBF O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 68576698 XRTXWUINOXDSQB-UWXQAFAOSA-N 424.456 4.838 5 1 HJBF biogenic O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc([N+](=O)[O-])c2n1 587578257 VQBJHWORZXGEMB-AUSIDOKSSA-N 414.373 4.552 5 1 HJBF COc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143319 BJBZCAQPYFPWDF-UHFFFAOYSA-N 407.357 4.651 5 1 HJBF CNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587337271 OXRHOLCFQHQPJH-GMAHTHKFSA-N 422.412 4.756 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3cc(F)ccc3[N+](=O)[O-])o1)O2 587386673 WAHWZCZLOWGUJZ-FQEVSTJZSA-N 412.373 4.503 5 1 HJBF O=[N+]([O-])c1ccccc1-n1cc(-c2cccc(Nc3ncnc4ccccc34)c2)nn1 1857552352 JVSGGOOHXMHIJV-UHFFFAOYSA-N 409.409 4.529 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587017670 OTXVSBRORYZOBW-UHFFFAOYSA-N 405.233 4.541 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1 587691357 DYJDZTFRAZWWBQ-HUTHGQBESA-N 413.674 4.948 5 1 HJBF O=[N+]([O-])c1cc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)cc(C(F)(F)F)c1 72141678 AWLLXENUFCGLHN-UHFFFAOYSA-N 404.304 4.543 5 1 HJBF CCOC(=O)c1cn2c3ccc(C(F)(F)F)cc3oc3c(F)c(F)cc(c1=O)c32 1772604033 AACXPAMAHIFOFB-UHFFFAOYSA-N 411.282 4.673 5 1 HJBF O=C1C[C@@H](c2ccc(Br)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587496122 HCIKMFXABFZOSI-SFHVURJKSA-N 402.244 4.943 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(=O)c4cc(C)ccc4oc3nc1C)O2 587394383 FZYPWIDGONJTQN-VWLOTQADSA-N 414.461 4.729 5 1 HJBF COCCOc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 587266028 UGLYPUBTAHPKTE-UHFFFAOYSA-N 405.410 4.956 5 1 HJBF Cn1ccc2ccc3c4[nH]c5ccc(Br)cc5c4c4c(c3c21)C(=O)NC4=O 13534930 QVZXHYBBRPKLEK-UHFFFAOYSA-N 418.250 4.612 5 1 HJBF CN(C)c1ccc2c(-c3ccsc3C(=O)O)c3ccc(=[N+](C)C)cc-3sc2c1 35306088 ZXGHCCYVNDMZKG-UHFFFAOYSA-O 409.556 4.531 5 1 HJBF O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@H]2c2ccc(Cl)cc2)cc1 43011806 XWQTXZRHBVUMCB-IEBWSBKVSA-N 419.890 4.540 5 1 HJBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C[N+]1([O-])CCC[C@@H]1C3 135687481 JJGAPUUIERNMBQ-SUUGVPPDSA-N 409.482 4.561 5 1 HJBF COc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260751 CDPFLVNAFGDGAR-UHFFFAOYSA-N 417.727 4.707 5 1 HJBF CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cc(F)c(Cl)nc1Cl 587645437 BEWBYVDUMGBOCP-UHFFFAOYSA-N 412.204 4.690 5 1 HJBF C[N+](C)(C)c1ccc(C(=O)OCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 26994909 DGBONYPCHFCKST-UHFFFAOYSA-N 410.494 4.774 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1 587750655 JKMPYJIULXAAFB-APBUJDDRSA-N 416.250 4.668 5 1 HJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 587270623 XAPHRVOIMRBVFT-UHFFFAOYSA-N 418.375 4.510 5 1 HJBF C[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607347 LYZSWHYFOQAEPN-DENIHFKCSA-N 423.446 4.813 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587748051 RYYUUOFTWFOFQF-YPMLDQLKSA-N 409.255 4.519 5 1 HJBF Cc1ccc(C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1[N+](=O)[O-] 35190654 AGHMOGGNZSKSNB-UHFFFAOYSA-N 412.877 4.727 5 1 HJBF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(Br)c1[N+](=O)[O-])CC2=O 587457194 VZNGRTVNGAWTRQ-IBGZPJMESA-N 420.259 4.896 5 1 HJBF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587247459 MMMOHFWONFZRTH-UHFFFAOYSA-N 419.397 4.794 5 1 HJBF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575266 IJLGVCGIJCJVMM-REWPJTCUSA-N 421.405 4.576 5 1 HJBF O=C1c2ccc(O)cc2O[C@]2(C=COc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587337619 BTSMBLWMPQSLTH-GGAORHGYSA-N 419.364 4.600 5 1 HJBF Cc1ccc([C@@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507933 DJOZSDOMXIFZBE-JPFBCYGGSA-N 406.482 4.718 5 1 HJBF C[C@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@](C)(C1)C(=O)N[C@@H]2O 102987012 UCAIIDSEJYRYBB-DNZIZEQUSA-N 416.521 4.583 5 1 HJBF C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546911 RGXXBQLHXCTCTL-RXVVDRJESA-N 411.797 4.831 5 1 HJBF O=[N+]([O-])c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCCN2CCCC[C@H]12 5544515 OBWFXVHXLLHHFG-SIKLNZKXSA-N 404.514 4.800 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587420290 HQGVICKVTSGYOB-LHSJRXKWSA-N 410.813 4.536 5 1 HJBF Cc1nn(Cc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c(C)c1[N+](=O)[O-] 587513911 VMTBOHNKORSNGS-NRFANRHFSA-N 421.453 4.635 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1 587693727 FEYRSHCECJAXEA-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF CCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147938 BONZRQLSFPBFAU-HNAYVOBHSA-N 411.506 4.572 5 1 HJBF O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(F)c3F)nc3ccc(O)c1c23 586985898 HAQIVOVBHGHOQL-UHFFFAOYSA-N 418.355 4.929 5 1 HJBF O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)Nc1ccccc1[N+](=O)[O-] 40914022 LYWURPUUGRPDKS-UHFFFAOYSA-N 416.481 4.840 5 1 HJBF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1SC 100051865 HRPHTZYJZLXWIU-VXNZKSKFSA-N 420.487 4.518 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCCCC1)CC2=O 587473421 UQEKHYZNYASDNN-QFIPXVFZSA-N 410.470 4.950 5 1 HJBF C[C@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)NCCc2cccc(-c3ccccc3)c21 962667094 MNJXDQHCKXQHSC-XMMPIXPASA-N 401.466 4.652 5 1 HJBF Cc1c(C)c2ccc(OCCCCOc3cc(O)cc([N+](C)(C)C)c3)cc2oc1=O 40918214 BHQTWYSLIIBIGC-UHFFFAOYSA-O 412.506 4.550 5 1 HJBF O=C(O)c1cc(Br)cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047503 JERBWEIQNLLJJQ-RQOWECAXSA-N 422.622 4.756 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1 587753747 WPIBDZZKBJFRAG-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587070331 HRIPEXNUEOSKBI-UHFFFAOYSA-N 418.638 4.944 5 1 HJBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] 1911584297 DATSBFZTNKFCLY-NTCAYCPXSA-N 417.421 4.745 5 1 HJBF COc1ccc(/C=C/Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(OC)c1 587928263 ABBOCWAVUQUUOP-ONEGZZNKSA-N 418.247 4.507 5 1 HJBF CN1CCN(c2ccc3cc2C=Cc2cccc(c2)Nc2nc(ncc2Cl)N3)CC1 73198470 PQWMPNOEVZUAMY-UHFFFAOYSA-N 418.932 4.853 5 1 HJBF Cc1ccc(CNC(=O)COc2cccc3c2ccc2c(C)cc(=O)oc23)cc1C 84587501 UGSSMNUSSSORDP-UHFFFAOYSA-N 401.462 4.567 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c([N+](=O)[O-])cccc32)N1 587754629 ZMANGXRRJUJLTR-WLRWDXFRSA-N 405.267 4.611 5 1 HJBF COc1ccccc1/C=C/c1nnc(-c2cccc3c(=O)c4ccccc4c(O)nc23)o1 1857646650 KWJXIXPPCVWSSC-BUHFOSPRSA-N 423.428 4.683 5 1 HJBF O=[N+]([O-])c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1F 587117463 SIIBKIBLSXOUIO-UHFFFAOYSA-N 417.750 4.599 5 1 HJBF Cn1cc([N+](=O)[O-])c(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 587512073 KJHWDCMWNVZTDY-OAQYLSRUSA-N 419.437 4.706 5 1 HJBF CC1(C)O[P@](=O)(c2ccccc2)C=C1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5734231 QVLHDKYXYKJAPF-SANMLTNESA-N 406.356 4.849 5 1 HJBF CC(C)CN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147808 XNMZFBYWQDVAAX-UHFFFAOYSA-N 411.506 4.524 5 1 HJBF O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1 587264380 MSTLCOLCDRCPIF-UHFFFAOYSA-N 400.700 4.642 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1[N+](=O)[O-])C1CC1 587575078 IHERINRNQZSBJG-URXFXBBRSA-N 417.417 4.654 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc([N+](=O)[O-])c1)C1CC1 587577260 RLZJSBQDYXKHIC-OFNKIYASSA-N 403.390 4.568 5 1 HJBF CC(=O)Nc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 653727902 JLTSHSIXQXASDV-HSZRJFAPSA-N 400.438 4.909 5 1 HJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc4ccccc4c3)c1)C2 45288467 IAYWHRHYJHKSOR-NRFANRHFSA-N 401.422 4.589 5 1 HJBF C[C@@]1(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 115605431 YLVQZTKLHNULPT-IBGZPJMESA-N 419.359 4.707 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c([N+](=O)[O-])c1)CC2=O 587456010 IQZCHUZUPFZHCY-QGZVFWFLSA-N 406.232 4.722 5 1 HJBF C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546913 RGXXBQLHXCTCTL-WIYYLYMNSA-N 411.797 4.831 5 1 HJBF CC(=O)n1c2cccc(Br)c2c2cc(-c3ccc([N+](=O)[O-])cc3)nnc21 299828232 UBWJPKXKFLFCBI-UHFFFAOYSA-N 411.215 4.582 5 1 HJBF COCCNc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587262073 NMKYPBGKJXXAAB-UHFFFAOYSA-N 412.393 4.808 5 1 HJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Cl)cc2[nH]1 587054525 LNJFCOMLKJDOJC-MRXNPFEDSA-N 407.257 4.905 5 1 HJBF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746057 IUUVCVOIZOGCIS-YPMLDQLKSA-N 409.255 4.519 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1 587751235 LLOIQQDVFDIWNF-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1cccc(Cl)c1Cl 1857580522 XRMDPQARLZDWFO-UHFFFAOYSA-N 415.236 4.880 5 1 HJBF CCOC(=O)c1c(-c2cccc(OC)c2)n2c3ccccc3c(=O)n2c2ccccc12 1911581216 LVGSYNXQVJGVEK-UHFFFAOYSA-N 412.445 4.558 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1 587264792 SZJMHXBARYWZSM-SNVBAGLBSA-N 423.347 4.841 5 1 HJBF COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)o1 587279842 DAHVZASBBRXYDB-UHFFFAOYSA-N 408.322 4.749 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc([N+](=O)[O-])cc1CC2 587574980 HNNSQDIXNXSINS-QPPBQGQZSA-N 417.417 4.580 5 1 HJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc([N+](=O)[O-])c1 587860571 XIKYFUFTRXWOLM-UHFFFAOYSA-N 406.225 4.852 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC2=O 587466037 LKEWUAMFPDPQKE-INIZCTEOSA-N 423.368 4.569 5 1 HJBF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccccc1[N+](=O)[O-] 104038970 CWRKUHYZUMTQMR-CQSZACIVSA-N 412.471 4.662 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1 587693723 FEYRSHCECJAXEA-HUTHGQBESA-N 413.674 4.948 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1 587752662 SSKAZZXWDDBZCM-DGIBIBHMSA-N 416.250 4.668 5 1 HJBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)c1[N+](=O)[O-] 587265013 KWQZGNZPKMLPGN-UHFFFAOYSA-N 417.256 4.702 5 1 HJBF Nc1ccc2c(c1)c(-c1ccccc1)[n+](Cc1ccc(C(=O)O)cc1)c1cc(N)ccc21 28821306 OLACXKVLJQZNCD-UHFFFAOYSA-O 420.492 4.858 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587135371 YOULBPLKEKZVPZ-UHFFFAOYSA-N 422.157 4.746 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1 587264790 SZJMHXBARYWZSM-JTQLQIEISA-N 423.347 4.841 5 1 HJBF O=[N+]([O-])c1ccc2nc([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)ccc2c1 962723011 ZNYZFHLGCTUDCV-ZHRRBRCNSA-N 409.486 4.735 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 587749902 ZZCZRDOMQYTIKL-ODXCJYRJSA-N 419.294 4.879 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1 587865926 PNWBNGBQEJSVFH-UHFFFAOYSA-N 420.347 4.956 5 1 HJBF CN1CCc2c(Br)cccc2[C@]1(c1ccccc1[N+](=O)[O-])C(F)(F)F 963289495 ODWPUBRAXPLFCJ-INIZCTEOSA-N 415.209 4.651 5 1 HJBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147632 WPQYBPSNYKQVPX-YWZLYKJASA-N 423.517 4.715 5 1 HJBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1cccc(Cl)c1 587071547 NZGDBKCRHRYASU-INIZCTEOSA-N 416.865 4.933 5 1 HJBF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587329739 ALMQYOQZYISREG-JTHBVZDNSA-N 423.396 4.722 5 1 HJBF O=[N+]([O-])c1cc(Br)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1F 963093364 BMVQLMPCJKRUAU-KPZWWZAWSA-N 409.230 4.745 5 1 HJBF Cc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)o1 82163821 KAAQPVHHDSQQIR-UHFFFAOYSA-N 405.389 4.766 5 1 HJBF C[C@@]1(c2cc([N+](=O)[O-])ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327977 AAPVIXLCDMPARG-IRLDBZIGSA-N 411.360 4.853 5 1 HJBF Cn1c2ccccc2n2cc(-c3ccc(I)c([N+](=O)[O-])c3)cc12 68585252 CUISDVBERWQUDG-UHFFFAOYSA-N 417.206 4.611 5 1 HJBF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)O2 587390503 QSEICEBIQVIRSY-JOCHJYFZSA-N 403.438 4.960 5 1 HJBF COc1cccc2cc(-c3ccc4c(=O)oc5ccc(Cl)cc5c4n3)c(=O)oc12 103187481 YANRYTWMQUWMAW-UHFFFAOYSA-N 405.793 4.777 5 1 HJBF Cc1cc(C(=O)N2CC[N+](C)(C)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 205650733 CPTMLYAVILEUKZ-UHFFFAOYSA-N 420.508 4.521 5 1 HJBF CN(C)CCNc1ccc(OCc2ccccc2)c2sc3ccccc3c(=O)c12 100824852 DMMGOLHSMDFKSC-UHFFFAOYSA-N 404.535 4.967 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccccc2[N+](=O)[O-])N1 587744307 CYGVBPLIPWZGAU-BUXKBTBVSA-N 407.283 4.879 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1 587746461 KAHDJGFEMONYED-WLRWDXFRSA-N 405.267 4.684 5 1 HJBF CCCC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 28824996 DQBNCYJSRVIUNK-UHFFFAOYSA-N 406.655 4.520 5 1 HJBF CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])c(Sc3cccc(Cl)c3)n2)cc1 64553951 GLTWZIIVSQQKOZ-UHFFFAOYSA-N 415.862 4.891 5 1 HJBF COc1cc(Cl)cc(C=O)c1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 587067437 ZXMZFSNVHDAUDL-UHFFFAOYSA-N 418.840 4.713 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(Br)c1)CC2=O 587456591 RQWJNEHPCXVEPG-QGZVFWFLSA-N 406.232 4.722 5 1 HJBF O=[N+]([O-])c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1F 586978273 YVQPIMNTKPNBMH-UHFFFAOYSA-N 400.591 4.605 5 1 HJBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587266232 XMZWLWOREFIAGG-UHFFFAOYSA-N 417.256 4.702 5 1 HJBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2Br)Oc2c1ccc1c2CCCC1 587501304 IBRBRUGRKBGANS-GOSISDBHSA-N 402.244 4.943 5 1 HJBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586920327 IMUPENKSBVGTCW-UHFFFAOYSA-N 417.446 4.751 5 1 HJBF COc1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 587391695 XEOOKWKAEOCHBF-JOCHJYFZSA-N 420.421 4.993 5 1 HJBF CC(C)(c1ccc([N+](=O)[O-])cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574669 GFWIGIDRLRSJLA-GBXCKJPGSA-N 419.433 4.999 5 1 HJBF COc1ccc(-c2nc(Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1OC 103256165 LXMIWGRRTWWTEP-UHFFFAOYSA-N 402.410 4.966 5 1 HJBF C[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129841 LXOAIPXPZDJQCZ-BYPYZUCNSA-N 409.702 4.945 5 1 HJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587261391 ALRKLIMENZYMNI-UHFFFAOYSA-N 401.422 4.632 5 1 HJBF COc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)CC2 587935227 QWHCZUMGESCUNW-LLVKDONJSA-N 402.248 4.515 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1 587754467 YYFUTZYKEPKCOI-JEOXALJRSA-N 405.267 4.611 5 1 HJBF CCN(CC)CCn1nc2c3ccccc3sc3c(CNC(=O)OC)ccc1c32 838523 ZIXJNGZYLXIXHL-UHFFFAOYSA-N 410.543 4.602 5 1 HJBF CSc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 587053970 HYZUOOCSYIKSKI-QGZVFWFLSA-N 418.906 4.974 5 1 HJBF C[C@]1(c2cccc([N+](=O)[O-])c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332576 LWLSAMPJFNZFOL-SIKLNZKXSA-N 411.360 4.853 5 1 HJBF Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)cn1 71296313 XVNYMUGONCJJAN-UHFFFAOYSA-N 404.832 4.732 5 1 HJBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OC(F)F 587506700 OIHOSDWLJKUTTQ-QGZVFWFLSA-N 419.380 4.790 5 1 HJBF CC[C@@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135462 NDGWBULCXJBSEM-OAHLLOKOSA-N 411.506 4.667 5 1 HJBF O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCN1CCCCC1)C2 473154390 GVHMIITYJHGIIV-FQEVSTJZSA-N 415.537 4.837 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587099095 XGWFQKQNQHVSEE-UHFFFAOYSA-N 400.154 4.843 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1[N+](=O)[O-])C1CC1 587575077 IHERINRNQZSBJG-QPPBQGQZSA-N 417.417 4.654 5 1 HJBF Cn1c2c(O)cccc2c(=O)c2c3c(c4c(c21)C=CC(C)(C)O4)C=C(O)C(C)(C)O3 169326102 BJTMZDDORNSYCW-UHFFFAOYSA-N 405.450 4.651 5 1 HJBF COc1cccc(-c2cc(F)cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c1 587160228 MYDUKXXBUNNIQG-UHFFFAOYSA-N 408.345 4.861 5 1 HJBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OC(F)F 587506699 OIHOSDWLJKUTTQ-KRWDZBQOSA-N 419.380 4.790 5 1 HJBF CC(C)c1nn(C)c2c1[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccccc1)NCC2 962903205 AAWBUQNRJZOJIE-HSZRJFAPSA-N 422.554 4.979 5 1 HJBF C[C@@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@H](O)NC2=O 1618034 UCAIIDSEJYRYBB-MNPUUQGPSA-N 416.521 4.583 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587752658 SPUHUJUMHXZKKQ-UGZDLDLSSA-N 418.266 4.910 5 1 HJBF O=[N+]([O-])c1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c2ncccc12 962993375 IGJHETNNHGMYAO-QFIPXVFZSA-N 402.479 4.747 5 1 HJBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587273967 LTHOYOSWCARLEF-ZETCQYMHSA-N 407.274 4.509 5 1 HJBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263032 JKJRIMDTTIXGDM-BPLDGKMQSA-N 420.494 4.500 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751422 MGYNLWBLPJXIRQ-OVWNDWIMSA-N 418.266 4.775 5 1 HJBF COc1ccc(C[C@@H](C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC 587926887 PQJLLLRYXPTHLN-SNVBAGLBSA-N 420.263 4.597 5 1 HJBF COCCNc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 587266506 ZIQRMEGNUAXYJI-UHFFFAOYSA-N 404.426 4.989 5 1 HJBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)cc([N+](=O)[O-])c1)CC2=O 587457494 ISOOKFZUKIWMBN-LJQANCHMSA-N 420.259 4.896 5 1 HJBF O=C1C[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587505097 UNFQQCSZDAHAPZ-SFHVURJKSA-N 402.244 4.943 5 1 HJBF O=[N+]([O-])c1ccc(NCn2nc3oc4c(Cl)cc(Cl)cc4n3c2=S)cc1 72173305 GYEDTWAQEUVHSS-UHFFFAOYSA-N 410.242 4.896 5 1 HJBF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] 587330484 BSLHEWMKEHJOTE-JTHBVZDNSA-N 423.396 4.722 5 1 HJBF NCCCCN(CCCN)CCCCCNCc1c2ccccc2cc2ccccc12 13585475 NSKXQWYNPLRETA-UHFFFAOYSA-N 420.645 4.643 5 1 HJBF O=[N+]([O-])c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl 586999402 ZXKAGGCFYLEIOX-OWOJBTEDSA-N 422.622 4.786 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751664 NLEACTGILDQUMI-NIVTXAMTSA-N 404.239 4.601 5 1 HJBF COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@@]1(C)CCCN1C3 14593897 GPULNVYNTZGQGU-RUZDIDTESA-N 407.510 4.938 5 1 HJBF biogenic Cc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980021 NAMGMJMBFZKDEG-UHFFFAOYSA-N 401.142 4.623 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 587752364 RMJSBSZDUOTNQH-NIVTXAMTSA-N 405.223 4.866 5 1 HJBF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587934273 IINWWJABVSYCRI-UHFFFAOYSA-N 414.259 4.815 5 1 HJBF CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775388 GTHFDUFFYSBAJM-UHFFFAOYSA-N 403.797 4.848 5 1 HJBF CCCCc1cc(=O)oc2cc(OCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)ccc12 586917407 BESHXZZAQMYCTO-UHFFFAOYSA-N 407.426 4.808 5 1 HJBF O=C(NCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1cccc(C(F)(F)F)c1 587110844 DZZWYDWVBVNRTL-UHFFFAOYSA-N 421.382 4.608 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(OC)cc1[N+](=O)[O-] 587866361 YYYXRBIZLWDJNT-UHFFFAOYSA-N 407.348 4.874 5 1 HJBF O=C(CCc1ccc(F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 34636306 HFGSQLLIFRSRPJ-UHFFFAOYSA-N 420.400 4.559 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 587269074 KCCHNBNCEQSBPV-UHFFFAOYSA-N 405.227 4.640 5 1 HJBF CC(C)CCOc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586980965 BZKUIPXIADUCTG-UHFFFAOYSA-N 405.252 4.721 5 1 HJBF C[C@@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328563 AZOABGMTNWURCD-IRLDBZIGSA-N 411.360 4.853 5 1 HJBF COc1ccc(C(=O)Nc2ccc3cc4ccc(NC(C)=O)cc4nc3c2)cc1OC 28712678 VSMJHXOYMJKVPR-UHFFFAOYSA-N 415.449 4.616 5 1 HJBF Cc1cc(N(C)Cc2nc3cc(C)c(Br)cc3[nH]2)c([N+](=O)[O-])cc1F 587136170 BYDVUMPPFCPJMC-UHFFFAOYSA-N 407.243 4.626 5 1 HJBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Br)Oc2c1ccc1c2CCCC1 587503514 OQZOXZDHLRBOOA-SFHVURJKSA-N 402.244 4.943 5 1 HJBF COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1c2ccccc2cc2sccc12 28826866 DIMKCQWJLXQNHE-UHFFFAOYSA-N 415.448 4.739 5 1 HJBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(F)c2)c1 587147954 VRWVMXUAZKPKQW-UHFFFAOYSA-N 407.357 4.651 5 1 HJBF O=c1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170952 HDFFWMZENICXFT-UHFFFAOYSA-N 416.771 4.720 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587748972 CKGNXIBBXRDXOO-DYBLOJMWSA-N 404.239 4.601 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2Cl)N1 587692851 LXTPMVWUBIPSNP-HUTHGQBESA-N 413.674 4.948 5 1 HJBF CC[C@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82134965 YZLYMHUUJHTXGV-HNNXBMFYSA-N 411.506 4.572 5 1 HJBF C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333858 NOPFYMTXQBVKOE-RBBKRZOGSA-N 411.360 4.853 5 1 HJBF C[C@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@@]2(C)C[C@@](C)(C1)[C@H](O)NC2=O 254079769 UCAIIDSEJYRYBB-CDCCBSOTSA-N 416.521 4.583 5 1 HJBF Cc1ccc(C)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587057477 XHVVNOHTGNOLDS-INIZCTEOSA-N 400.866 4.868 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587432258 IWVDJIUVNOHJNN-CYFREDJKSA-N 417.417 4.671 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1 587748905 BMKTVWLYCAZAGQ-YYSFKGJASA-N 404.239 4.601 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Cl 587182655 MISMYPPSVHYEGN-UHFFFAOYSA-N 417.565 4.535 5 1 HJBF Cn1cccc1CN1CCc2sccc2[C@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 962374451 QCOLHRPTPVOBGS-QHCPKHFHSA-N 422.554 4.743 5 1 HJBF COc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100810907 WBZLODXOELQXEH-WHYBVILRSA-N 406.438 4.664 5 1 HJBF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644580 FWKCAYKTYGDGGN-UHFFFAOYSA-N 407.209 4.796 5 1 HJBF COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748279 WAGVDVKJOCSKPD-NSPYISDASA-N 423.282 4.611 5 1 HJBF COc1ccc2c(c1)[C@@](C)(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)N(C(C)C)CC2 962088318 GIEAZUCKIHWGOQ-JOCHJYFZSA-N 413.474 4.658 5 1 HJBF COc1cc2c3c(c4ccc(NC(C)=O)cc4c2cc1OC)CN1CCCC[C@@H]1C3 473119738 MHAXCWVRRQLMRH-QGZVFWFLSA-N 404.510 4.879 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1 587704420 UBQZVDDKZAZICF-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1 261077290 BCGGPZOEBPVQPT-SAZUREKKSA-N 405.401 4.523 5 1 HJBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1c(Cl)ccc(F)c1Cl 587645750 CLUQURSQGDUMAH-UHFFFAOYSA-N 411.172 4.540 5 1 HJBF O=C([C@@H]1Cc2ccccc2[C@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12)C(F)(F)F 962730324 NCTCUTDZMAMNPN-UNMCSNQZSA-N 424.378 4.513 5 1 HJBF O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1[N+](=O)[O-] 13761283 ZIQJQHZHAGWXCU-AATRIKPKSA-N 420.208 4.733 5 1 HJBF Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174603 FVLZNZDYTMWUAM-ZIAGYGMSSA-N 407.474 4.806 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1 587712731 AAINAXPKHPDKHN-VGDKGRGNSA-N 417.637 4.913 5 1 HJBF O=[N+]([O-])c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1F 587122016 ILNBEGVPVARTSF-UHFFFAOYSA-N 401.341 4.942 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc([N+](=O)[O-])c(C)c4)o1)[C@@H](C2)C3=O 587432682 KMBIIEIUHGVBIG-GAJHUEQPSA-N 421.405 4.573 5 1 HJBF CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587646002 PXHMSGPTNKSLRP-UHFFFAOYSA-N 412.204 4.685 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)c(F)c2[nH]1 587110101 SHQMNRXTNBAQCV-UHFFFAOYSA-N 418.144 4.982 5 1 HJBF O=[N+]([O-])c1cc(Br)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1F 963093372 BMVQLMPCJKRUAU-XIKOKIGWSA-N 409.230 4.745 5 1 HJBF CCCOCC[N+](C)(CCOCCC)COC(=O)[C@@H](c1ccccc1)C1CCCC1 27548722 YUCOBCPAAUSZGV-DEOSSOPVSA-N 420.614 4.761 5 1 HJBF CCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135168 RNSPZAKVUBWBEK-UHFFFAOYSA-N 411.506 4.669 5 1 HJBF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)s1 587014397 KYBJJGQIMLISCC-QMMMGPOBSA-N 411.281 4.763 5 1 HJBF NCCOCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857603957 YDFBIWOECIIUHV-UHFFFAOYSA-N 402.450 4.518 5 1 HJBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587265020 RFMCAQZDEOKHGQ-INIZCTEOSA-N 406.467 4.570 5 1 HJBF O=[N+]([O-])c1cccc(-n2cc(-c3cccc(Nc4ncnc5ccccc45)c3)nn2)c1 1857566949 GGXINTKJTZOEFC-UHFFFAOYSA-N 409.409 4.529 5 1 HJBF CCCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82147693 MYMQALJWRBGWDM-UHFFFAOYSA-N 411.506 4.574 5 1 HJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 115608674 GYRYSVKOTZBBPG-CYBMUJFWSA-N 419.359 4.565 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)O2 587390527 QYEPJVMIUKEAAU-QFIPXVFZSA-N 404.422 4.771 5 1 HJBF Cc1ccc(-c2cc(O)n(-c3c([N+](=O)[O-])cc(Br)c(F)c3C)c2O)cc1 587943699 OADIOEJXVWHIOL-UHFFFAOYSA-N 421.222 4.982 5 1 HJBF CCCN(CCC)CCOc1ccc2[nH]c3cc(Cl)cc(OC)c3c(=O)c2c1 1857598454 IQZLDSIAKAVCST-UHFFFAOYSA-N 402.922 4.844 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc([N+](=O)[O-])c(C)c3)o1)O2 587389589 LSOVWFSCEKCZTP-OAQYLSRUSA-N 408.410 4.672 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 587750366 HXANVHTVDCAFMT-YYSFKGJASA-N 404.239 4.601 5 1 HJBF O=[N+]([O-])c1ccc(SC(=S)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 95572069 AZGMAARRTGKISV-UHFFFAOYSA-N 417.512 4.835 5 1 HJBF Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587513299 RIACNGDKWZGLJR-NRFANRHFSA-N 419.437 4.706 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c2cccnc12 587574236 DUMUSPVVDVJUMN-CVDCTZTESA-N 414.373 4.552 5 1 HJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc([N+](=O)[O-])cc1 587860608 ZBUCPXJIGFOIED-UHFFFAOYSA-N 406.225 4.852 5 1 HJBF COc1ccc2c(c1OC)[C@]1(c3ccccc3-c3ccc([N+](=O)[O-])cc31)N(C)[C@@H](C)C2 962641882 XWHMCZIBWTVPOI-ODCWNRFASA-N 416.477 4.761 5 1 HJBF COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 26143384 IHYDROZCUNAQKC-RTNFLTGHSA-N 420.465 4.688 5 1 HJBF C[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 49785659 DMJJVTGNRMLQDP-PGRDOPGGSA-N 422.525 4.797 5 1 HJBF Cc1cc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1[N+](=O)[O-] 586983793 CJFCXHCGNJYWHZ-GOSISDBHSA-N 415.291 4.727 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1 587752913 UOJIKWOCSLIUAM-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF COc1ccc2c(c1OC)[C@]1(c3ccccc3-c3ccc([N+](=O)[O-])cc31)N(C)[C@H](C)C2 962641893 XWHMCZIBWTVPOI-SGANQWHYSA-N 416.477 4.761 5 1 HJBF COCCOc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587264105 AISZZTXZDOWRHC-UHFFFAOYSA-N 415.755 4.836 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1 587752909 UOJIKWOCSLIUAM-APBUJDDRSA-N 416.250 4.668 5 1 HJBF COc1cc(C(=O)Nc2cc(-c3ccccc3)ccc2[N+](=O)[O-])cc(OC)c1OC 73199516 CYQMMYJBAWFSTD-UHFFFAOYSA-N 408.410 4.540 5 1 HJBF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2N1 587124691 NWDXQSDQOASDQZ-IINYFYTJSA-N 423.402 4.830 5 1 HJBF COC(=O)c1cc(Cl)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1 587270333 MGSZTNSDJPZCDI-UHFFFAOYSA-N 408.801 4.640 5 1 HJBF C[C@@]1(c2cccc([N+](=O)[O-])c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332587 LWLSAMPJFNZFOL-UGKGYDQZSA-N 411.360 4.853 5 1 HJBF CCCN(CCC)CCOc1ccc2c(=O)c3c(OC)cc(Cl)cc3[nH]c2c1 1857581801 NNJUNVBGHIJLPO-UHFFFAOYSA-N 402.922 4.844 5 1 HJBF Nc1nccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587038341 REZRRMPEXCSRBL-UHFFFAOYSA-N 420.479 4.876 5 1 HJBF CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587646345 PIULZAYRYQAWTL-UHFFFAOYSA-N 407.195 4.821 5 1 HJBF CC1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3O)cc2[N+](=O)[O-])CC1 169323611 MNRJKJZSAJQJIX-UHFFFAOYSA-N 405.454 4.942 5 1 HJBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCc1cc([N+](=O)[O-])ccc1C3 586987873 UFRRAVAIZXCBPT-UHFFFAOYSA-N 408.413 4.749 5 1 HJBF O=[N+]([O-])c1ccc([C@H]2CC(c3ccc(NCc4nc5ccccc5[nH]4)cc3)=NO2)cc1 5594052 ZLRDWSSRHRPHAJ-JOCHJYFZSA-N 413.437 4.949 5 1 HJBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587267237 VRPCRWFLVLIBSK-ZETCQYMHSA-N 413.287 4.710 5 1 HJBF CC(C)Oc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Br 587269322 APGARXHTCXKMND-UHFFFAOYSA-N 404.264 4.806 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(OC)cc1[N+](=O)[O-])CC2=O 587472537 JIKHEQRGZOYTLJ-JOCHJYFZSA-N 422.437 4.759 5 1 HJBF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccc([N+](=O)[O-])cc1)CCCCC3 1911574210 JTQKDWBEVOKNEB-UHFFFAOYSA-N 420.469 4.541 5 1 HJBF C[C@@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550812 YVORMMSSDNCOQZ-RXVVDRJESA-N 411.797 4.831 5 1 HJBF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2cccc([N+](=O)[O-])c12 587645643 APKLVHUEUPKVNM-UHFFFAOYSA-N 400.259 4.615 5 1 HJBF CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646355 PQLHRERDMKWKMQ-UHFFFAOYSA-N 406.316 4.508 5 1 HJBF CCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br 587150532 LLAPBXWJMHGVEZ-UHFFFAOYSA-N 424.226 4.741 5 1 HJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)o1 587266350 ZCSDEEKTBJFUGD-UHFFFAOYSA-N 400.188 4.866 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2c1[N+](=O)[O-] 587573926 DOQIALRCPGTMNR-MBSDFSHPSA-N 414.373 4.552 5 1 HJBF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c3cccc1c32 963033069 WVFRWXJVBCGGJP-IPQOISQHSA-N 423.856 4.651 5 1 HJBF COc1cccc2cc3c(nc12)[C@@H](c1cc([N+](=O)[O-])c(Cl)cc1Cl)NCC3 963045984 HXSSVHDDQVRNDW-LJQANCHMSA-N 404.253 4.694 5 1 HJBF CCCCOc1c(OC)ccc2c1c[n+]1c3c2ccc2c4c(cc(c23)CC1)OCO4 96937405 UFVCWHYLXGBXJY-UHFFFAOYSA-N 402.470 4.906 5 1 HJBF Cc1ccc([C@@]2(C)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1[N+](=O)[O-] 962642942 VJJQPMQTWFFZNA-BVAGGSTKSA-N 413.521 4.914 5 1 HJBF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587242261 QSNZBAMBIWKXAC-UHFFFAOYSA-N 417.263 4.885 5 1 HJBF O=C1C[C@H](c2cc(Br)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587496042 GQTUHSHQMBNYIR-GOSISDBHSA-N 402.244 4.943 5 1 HJBF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587432250 IVIGUTNEYPKRAA-HJPURHCSSA-N 403.390 4.884 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2[N+](=O)[O-])N1 587697679 ORIRBCLUHKSMJO-HUTHGQBESA-N 413.674 4.948 5 1 HJBF CC(=O)c1c2c(cc3c(=O)c4c(O)cc(O)c(/C=C\C(C)C)c4oc13)C(C)(C)OC2=O 238764682 VCYWZHHNWSLHHF-SREVYHEPSA-N 422.433 4.635 5 1 HJBF CCOc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1 1857590798 KPQRCIRJSUNBHN-UHFFFAOYSA-N 400.478 4.672 5 1 HJBF COc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cc1 138559373 DTDBFWBCIWQHMH-ZEQRLZLVSA-N 414.505 4.625 5 1 HJBF C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578767 XLMQUMSQWLFQNS-OFNKIYASSA-N 416.389 4.659 5 1 HJBF COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748281 WAGVDVKJOCSKPD-WLRWDXFRSA-N 423.282 4.611 5 1 HJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(F)c(Br)cc1F 587943980 ULQJVKDEPGOKAX-VIFPVBQESA-N 419.222 4.653 5 1 HJBF Cc1cc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-] 586960886 QVYMNNQNIHOIRB-GDLZYMKVSA-N 405.479 4.818 5 1 HJBF FC(F)(F)c1nn(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c2c1CCCC2 587119509 DKZBYUNLXIVJEU-UHFFFAOYSA-N 422.414 4.802 5 1 HJBF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587200547 HXLTYZCDEHLCFT-UHFFFAOYSA-N 415.837 4.642 5 1 HJBF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587340332 HBOPKYSRZGWLKC-GGAORHGYSA-N 405.381 4.640 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(F)cc2Cl)N1 587712721 AAINAXPKHPDKHN-GYKQLYQFSA-N 417.637 4.913 5 1 HJBF O=C1OCC2=C1[C@H](c1ccc(O)c(Cl)c1)c1c(c3cccnc3c3ncccc13)N2 299833915 AQQBILADIKZJJN-QGZVFWFLSA-N 415.836 4.510 5 1 HJBF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cs1 587019413 LSBYBFTUSFNYST-UHFFFAOYSA-N 409.855 4.519 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1 587754676 ZZNKDXUDRAVTOG-YBTHPKLGSA-N 419.294 4.956 5 1 HJBF COc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260971 NFYGONRXWXVOQH-UHFFFAOYSA-N 401.728 4.828 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc([N+](=O)[O-])c(C)c3)o1)O2 587389585 LSOVWFSCEKCZTP-NRFANRHFSA-N 408.410 4.672 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2[N+](=O)[O-])N1 587752881 UEJRZODTLACWJB-YPMLDQLKSA-N 416.250 4.668 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc([N+](=O)[O-])c1)C1CC1 587577259 RLZJSBQDYXKHIC-NZQKXSOJSA-N 403.390 4.568 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1 587750654 JIIRTSMQFWKWJJ-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF COc1ccc([C@H]2[C@@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1 1772637315 NHNKDUUDSZZXTN-XXBNENTESA-N 400.438 4.611 5 1 HJBF COc1ccc(C(=O)c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])s2)cc1 40380578 MZWACKSJWVJBNM-UHFFFAOYSA-N 405.435 4.749 5 1 HJBF O=C(CCNc1ccc(O)c([N+](=O)[O-])c1)N1c2ccccc2C=Cc2ccccc21 45257020 HQAZVOLFHMGMSH-UHFFFAOYSA-N 401.422 4.951 5 1 HJBF C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1[N+](=O)[O-] 49785660 DMJJVTGNRMLQDP-XMSQKQJNSA-N 422.525 4.797 5 1 HJBF O=c1cc(-c2ccccc2)oc2cc(N3COc4c(cccc4[N+](=O)[O-])C3)ccc12 103156813 XESOGKIKRJVRBM-UHFFFAOYSA-N 400.390 4.725 5 1 HJBF Cc1ccc2c3c(c4c(nc13)[C@H](n1ccc([N+](=O)[O-])n1)CCC4)-c1ccccc1C2=O 587096913 DIAQMFUTUMULEL-GOSISDBHSA-N 410.433 4.785 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(Br)c2[nH]1 587108851 ATSONWFGYHSTAX-UHFFFAOYSA-N 400.154 4.843 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc([N+](=O)[O-])cc32)N1 587754092 XOYHUDJGHBDHIG-JEOXALJRSA-N 405.267 4.611 5 1 HJBF Cc1ccc([C@]2(C)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1[N+](=O)[O-] 962642946 VJJQPMQTWFFZNA-JYFHCDHNSA-N 413.521 4.914 5 1 HJBF O[C@H](c1ccc(Br)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586996331 FQBISZKZAQDIML-LJQANCHMSA-N 405.255 4.504 5 1 HJBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NCc3ccc(C(C)(C)C)cc3)cc12 653782763 UMTKCFJRDJJORY-UHFFFAOYSA-N 416.477 4.555 5 1 HJBF CCCCOC(=O)c1cc(=O)c(O)c2oc3cc(N(CCC)CCC)ccc3nc1-2 653794488 DTBJYSRKVMRDBX-UHFFFAOYSA-N 412.486 4.582 5 1 HJBF CC(=O)N[C@@H](Cc1ccc(OCc2c3ccccc3cc3ccccc23)cc1)C(=O)O 28708271 AEKAVWAWJCQQEP-VWLOTQADSA-N 413.473 4.704 5 1 HJBF COc1cccc(OCc2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)c1 587781663 MKFDCKUNMUJZSY-UHFFFAOYSA-N 420.381 4.634 5 1 HJBF O=C(c1cc(N2CCCCC2)ccc1[N+](=O)[O-])n1nc2cc1Oc1ccc(F)cc1-2 587874629 GSBVJVWVQNTUTO-UHFFFAOYSA-N 408.389 4.382 5 1 HJBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2cccc(Cl)c2)cc1 13584413 ZWJPJPAYMWXEOB-UHFFFAOYSA-N 411.874 4.729 5 1 HJBF O=[N+]([O-])c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)nn1CC(F)(F)F 587091755 IKDIUHWDXIFWJR-UHFFFAOYSA-N 403.320 4.689 5 1 HJBF C[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607354 LYZSWHYFOQAEPN-UGKGYDQZSA-N 423.446 4.813 5 1 HJBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147629 WPQYBPSNYKQVPX-QRWLVFNGSA-N 423.517 4.715 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2c1[N+](=O)[O-] 587573928 DOQIALRCPGTMNR-WZONZLPQSA-N 414.373 4.552 5 1 HJBF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccc([N+](=O)[O-])cc2s1 587661806 CQSJQCRIYOQHNR-UHFFFAOYSA-N 418.409 4.710 5 1 HJBF Cn1cc([N+](=O)[O-])c(Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587511739 IIQUGLUFPBZOML-NRFANRHFSA-N 419.437 4.706 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1 587866377 ZJHXWLUMKLEHNI-UHFFFAOYSA-N 405.332 4.564 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(Br)c1)CC2=O 587456590 RQWJNEHPCXVEPG-KRWDZBQOSA-N 406.232 4.722 5 1 HJBF COc1cccc(CN(C)CCCOc2ccc3c(c2)oc(=O)c2ccccc23)c1 221981738 AODGUHXAKIDWEC-UHFFFAOYSA-N 403.478 4.856 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc([N+](=O)[O-])ccc2o1 587577964 VCVCNYYNWFAESC-UGKGYDQZSA-N 403.346 4.750 5 1 HJBF Cc1ccc(C(=O)Nc2cccc(Nc3ccc([N+](=O)[O-])c4ncnc(O)c34)c2)cc1 1857591583 GQUNQDSOEGXGBY-UHFFFAOYSA-N 415.409 4.548 5 1 HJBF Cc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174422 UQKAFWCLIPLCED-UHFFFAOYSA-N 417.425 4.506 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587269468 OHPXCJKMCCIXIR-UHFFFAOYSA-N 410.437 4.835 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1 587704419 UBQZVDDKZAZICF-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1 587749237 CYBBQCPOAMKFLW-YBTHPKLGSA-N 419.294 4.956 5 1 HJBF Cc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163592 FHHUBYFIMCVGRL-UHFFFAOYSA-N 417.425 4.506 5 1 HJBF O=C(Nc1ccccc1)Nc1ccc(Nc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 169700554 KJGPRBMUBDFYAH-UHFFFAOYSA-N 400.398 4.926 5 1 HJBF Cc1nc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2cc1Br 587270339 MIRJYBKLVHFXPT-UHFFFAOYSA-N 410.231 4.666 5 1 HJBF O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc2ccc3cccc4ccc1c2c34 587561269 ORCHRLAEUNCOEA-UHFFFAOYSA-N 421.412 4.628 5 1 HJBF Cn1ccc2ccc3c4[nH]c5cc(C(F)(F)F)ccc5c4c4c(c3c21)C(=O)NC4=O 13534958 DEQFPFPCAXBABA-UHFFFAOYSA-N 407.351 4.868 5 1 HJBF CC(C)(C)Oc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(N)cc1F 587136576 SAUYNLKOASWPJN-UHFFFAOYSA-N 423.242 4.799 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1 587749144 XLVVRBNFUYLTKY-JEOXALJRSA-N 421.266 4.519 5 1 HJBF Cc1nc2nc(Sc3ccccc3)cnc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 1772581883 BDPKPMFFNWCVOU-UHFFFAOYSA-N 417.450 4.645 5 1 HJBF Cc1ccc2oc3cc(O)c(-c4c(O)ccc5ccc(O)cc45)c(O)c3c(=O)c2c1 72179109 PWMWSVSEGCYECQ-UHFFFAOYSA-N 400.386 4.897 5 1 HJBF COc1cc2cc(/C=C/CN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 40845373 RAKCXELOXDTSKA-AATRIKPKSA-N 416.477 4.862 5 1 HJBF O=C(CCCn1c2ccccc2c2nc3ccccc3nc21)OCCN1CCCCC1 1772641911 HUJPBWVDHCYBLC-UHFFFAOYSA-N 416.525 4.547 5 1 HJBF Cc1cc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2cc1[N+](=O)[O-] 587232205 OHEZHLYXAOLYFF-UHFFFAOYSA-N 423.473 4.744 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751997 PLNNWFCLJVMPOX-GIGQVBGESA-N 418.266 4.775 5 1 HJBF COc1cc2cc(C(=O)N3CCCCC3)c3cc(OC)c(OC)cc3c2cc1OC 103202469 XIGKBANGUJEUJS-UHFFFAOYSA-N 409.482 4.654 5 1 HJBF COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 84758574 SCIAFCLDQIUAHV-UHFFFAOYSA-N 414.421 4.708 5 1 HJBF NCCCc1cc2c(-c3cccc(F)c3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 28956021 ZHLOJZWILJLVPQ-UHFFFAOYSA-N 412.468 4.769 5 1 HJBF CCO[P@](=O)(CC)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 169346808 GAYQBHLKAGEUGS-GDLZYMKVSA-N 412.386 4.755 5 1 HJBF O=C(O)c1cc(Br)cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 587047502 JERBWEIQNLLJJQ-DUXPYHPUSA-N 422.622 4.756 5 1 HJBF Cc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1[N+](=O)[O-] 587081313 NMOOJGVTFGSVIA-UHFFFAOYSA-N 404.817 4.810 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587752655 SPUHUJUMHXZKKQ-AYLIAGHASA-N 418.266 4.910 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c2cccnc12 587574233 DUMUSPVVDVJUMN-AUSIDOKSSA-N 414.373 4.552 5 1 HJBF COc1ccc(C(=O)c2c(C(F)(F)C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587645491 WVNQTUYPOGQJJG-UHFFFAOYSA-N 414.286 4.970 5 1 HJBF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)cc1[N+](=O)[O-])CC2 1857648429 QSURNYUOMLRKGS-UHFFFAOYSA-N 420.465 4.543 5 1 HJBF CCC(COC(C)=O)(COC(C)=O)NCc1ccc2ccc3cccc4ccc1c2c34 26472820 JEOPSTPVBIZLJV-UHFFFAOYSA-N 417.505 4.949 5 1 HJBF COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)n1 59240267 WEHHLXNTZZGCMM-CYBMUJFWSA-N 412.421 4.838 5 1 HJBF COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(OC)c1OC 82154425 RCEYITFFDFXLHB-UHFFFAOYSA-N 408.410 4.540 5 1 HJBF CN(C)C1CCN(c2c(-c3c[nH]c4ccccc34)[nH]c3cc([N+](=O)[O-])ccc23)CC1 587649098 PVXRENUWDAANOR-UHFFFAOYSA-N 403.486 4.755 5 1 HJBF C[C@]1(c2cc(F)cc([N+](=O)[O-])c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962959155 QICVFZRZCOIHAT-LJQANCHMSA-N 424.394 4.668 5 1 HJBF O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(Br)cc1 2356867986 FRXJHSBPFKGYBT-UHFFFAOYSA-N 412.263 4.700 5 1 HJBF Cc1nn(Cc2ccccc2-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)c1[N+](=O)[O-] 587265659 RQBXWOFNFFLTHL-UHFFFAOYSA-N 417.256 4.702 5 1 HJBF C[C@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576544 OYHMMOAJBQNGBA-NFBKMPQASA-N 417.373 4.924 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc([N+](=O)[O-])ccc2n1 587577975 VFZQCZZTIWHWBK-NFBKMPQASA-N 414.373 4.552 5 1 HJBF O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1 43011808 XWQTXZRHBVUMCB-MJGOQNOKSA-N 419.890 4.540 5 1 HJBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 115608672 GYRYSVKOTZBBPG-ZDUSSCGKSA-N 419.359 4.565 5 1 HJBF N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1 586997707 QWJGTJAZNHUACP-CQSZACIVSA-N 418.298 4.664 5 1 HJBF O=C1C[C@H](c2ccc(Br)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587495446 CGVVXTHKEDTOKU-GOSISDBHSA-N 402.244 4.943 5 1 HJBF O=S(=O)(Oc1cc(O)nc2c1ccc1ccccc12)c1ccc(C(F)(F)F)cc1 1772587169 VTPFXYPJFDHHPP-UHFFFAOYSA-N 419.380 4.880 5 1 HJBF COC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1OC 587271586 HAEAYYVOOMLGJD-UHFFFAOYSA-N 419.393 4.726 5 1 HJBF Cc1cccc(C(=O)Nc2cccc(Nc3ccc([N+](=O)[O-])c4ncnc(O)c34)c2)c1 1857617115 DHKKBUUUFPGSJM-UHFFFAOYSA-N 415.409 4.548 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1cccc([N+](=O)[O-])c1Br)CC2=O 587457407 YQDFNICXGPAZDC-INIZCTEOSA-N 406.232 4.722 5 1 HJBF COc1c(OC(F)F)ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587504589 JKHXDLVCMADZMG-QGZVFWFLSA-N 419.380 4.790 5 1 HJBF Cc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587747142 MIWXSUUYFQIVFL-BLVKFPJESA-N 407.283 4.797 5 1 HJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)o1 587265596 QYTACIJXMGMAKU-UHFFFAOYSA-N 409.711 4.860 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)N1 587751735 OGPVJWJHCZDULB-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1 587754673 ZZNKDXUDRAVTOG-BIBXISHDSA-N 419.294 4.956 5 1 HJBF O=[N+]([O-])c1cccc(-c2cc(O)n3nc(C(F)(F)F)c(-c4ccccc4)c3n2)c1 1030814 RUDWQPZQOWHQPR-UHFFFAOYSA-N 400.316 4.696 5 1 HJBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1cccnc1 299827155 GGQUYIVNRPCMGS-UHFFFAOYSA-N 419.422 4.553 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc([N+](=O)[O-])cc1 587865795 JFNCCJSRUVHYSK-UHFFFAOYSA-N 419.359 4.759 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2=O 587472719 LMHQSVVAGXXHET-QFIPXVFZSA-N 410.470 4.950 5 1 HJBF CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12 73129384 YSDCENVYQIWQMN-UHFFFAOYSA-N 424.342 4.918 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1 587753271 UVKPBZJCSCPRDW-XLFHBGCDSA-N 404.239 4.601 5 1 HJBF Cc1ccc([N+](=O)[O-])c([C@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962952549 IRUOLFWDCDLPSO-FQEVSTJZSA-N 420.431 4.837 5 1 HJBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587270535 MIUIIKFWVHDPRP-INIZCTEOSA-N 415.478 4.990 5 1 HJBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2-c2ccc(OC)cc2[N+](=O)[O-])N1 962943841 CWCSTIZSDMGBPQ-OYLFLEFRSA-N 416.481 4.889 5 1 HJBF Cc1cc(Cc2ccc3c(cnn3-c3ccc(C(=O)O)cc3)c2)c([N+](=O)[O-])cc1C 1857569513 UXQNHNWPHKBBDY-UHFFFAOYSA-N 401.422 4.840 5 1 HJBF COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(OC)c1OC 73198905 FZTFYRFVODKCGR-UHFFFAOYSA-N 408.410 4.540 5 1 HJBF CC(=O)Oc1ccc([C@]2(c3cccc([N+](=O)[O-])c3)NCCc3c2sc(C)c3C)cc1 963021625 KAGXGRADTIIFDX-HSZRJFAPSA-N 422.506 4.636 5 1 HJBF Cc1ccc(C)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587057479 XHVVNOHTGNOLDS-MRXNPFEDSA-N 400.866 4.868 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)c(Cl)cc2[nH]1 587262184 FVOUHZVENHDRTI-LLVKDONJSA-N 403.822 4.784 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3c([N+](=O)[O-])cccc23)N1 587750289 HKAJKCIBOIHCQH-OVWNDWIMSA-N 416.250 4.668 5 1 HJBF COc1ccc(Cn2c(-c3ccc(C)cc3)cc(=O)c3cc([N+](=O)[O-])ccc32)cc1 1772624153 UOTBWFQIXDBYAX-UHFFFAOYSA-N 400.434 4.942 5 1 HJBF Nc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587095942 ZRNJLNNLBNNYEM-UHFFFAOYSA-N 401.142 4.502 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Br)CC2=O 587455930 HVOLQZVLCMAYIZ-QGZVFWFLSA-N 406.232 4.722 5 1 HJBF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587241197 QKYFZIMHVGETQV-UHFFFAOYSA-N 418.413 4.989 5 1 HJBF CC1(C)C[C@H](OCCOc2ccc([N+](=O)[O-])cc2)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 103218509 VVXGFUYPQNOUGS-QWCYLASJSA-N 403.519 4.736 5 1 HJBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc([N+](=O)[O-])c3[nH]1)N2 587031465 NYZKLVKCJUQHMW-SRMXYGTFSA-N 415.500 4.598 5 1 HJBF C[C@]1(CCc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573939 DRABSCZJCWKVNJ-NZQKXSOJSA-N 405.406 4.654 5 1 HJBF CC(=O)c1c2c(cc3c(=O)c4c(O)cc(O)c(/C=C/C(C)C)c4oc13)C(C)(C)OC2=O 238735903 VCYWZHHNWSLHHF-VOTSOKGWSA-N 422.433 4.635 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)O2 587376878 URIRCHQGVRLSJM-NRFANRHFSA-N 418.877 4.968 5 1 HJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514560 ZRETWDLYKYDVHT-HSZRJFAPSA-N 418.449 4.979 5 1 HJBF O=C(Cc1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 96258330 GWSPFDOKJUYTOJ-UHFFFAOYSA-N 418.456 4.663 5 1 HJBF CN(C)CCNc1c(OCc2ccccc2)ccc2sc3ccccc3c(=O)c12 100824790 BQXGOWUYJFPWRE-UHFFFAOYSA-N 404.535 4.967 5 1 HJBF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2)CC1 101140212 NPYZUFBXIOMPMN-GXKQVVJLSA-N 413.518 4.553 5 1 HJBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077525 VRKOIOKBPYUGQB-CYBMUJFWSA-N 421.638 4.504 5 1 HJBF CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2cccc([N+](=O)[O-])c12 587646045 RQBGETSDJPNSIY-UHFFFAOYSA-N 407.195 4.821 5 1 HJBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587272967 BVPUKTDXJAQOFX-LBPRGKRZSA-N 404.455 4.748 5 1 HJBF O=C(c1cnn2c1NC(=C1CC1)C=C2C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587279849 DIQSPZVKUPRHJY-UHFFFAOYSA-N 416.315 4.645 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc([N+](=O)[O-])ccc2o1 587577960 VCVCNYYNWFAESC-DENIHFKCSA-N 403.346 4.750 5 1 HJBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccc3c2CCCC3)cc1NN1CCCCC1 15936824 HVCQGCBFYOLAAI-UHFFFAOYSA-N 412.446 4.987 5 3 HJBF CCN(CC)CCCNc1nccc2c1ccc1c3cc4c(cc3cnc21)OCO4 49807867 QUFMQXYNLVGQNA-UHFFFAOYSA-N 402.498 4.809 5 1 HJBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)cc1[N+](=O)[O-])CC2=O 587459439 WWFYFNAPQJAOEM-IBGZPJMESA-N 420.259 4.896 5 1 HJBF C[C@@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549242 ZBDJJLDXFBYEQL-RXVVDRJESA-N 411.797 4.831 5 1 HJBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4cccc(F)c4)c3oc2c1OC 96933386 DLIPSMHUWUQGLE-UHFFFAOYSA-N 410.397 4.787 5 1 HJBF O=[N+]([O-])c1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2ncsc2c1 64516593 SANYXBNPSCQKPR-UHFFFAOYSA-N 403.427 4.963 5 1 HJBF O=[N+]([O-])c1cc(F)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587160541 VNQPBENABQCFPN-UHFFFAOYSA-N 415.016 4.802 5 1 HJBF O=C(Nc1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)C1CCNCC1 45335188 FYYKKJRNNHKNDX-UHFFFAOYSA-N 423.300 4.688 5 1 HJBF COc1cc(C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC 82153504 HNBFERXRGRGIHQ-UHFFFAOYSA-N 408.410 4.540 5 1 HJBF C[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331483 HKIQFUMJDBWGOL-UNMCSNQZSA-N 411.360 4.853 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)N1 587753372 VLGMJZMIPWCLQU-APBUJDDRSA-N 416.250 4.668 5 1 HJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@H]21 587024920 CMRMWHOLKOAFQQ-KYJSFNMBSA-N 410.499 4.608 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)O2 587386019 WVPPANAHVMBNPU-QFIPXVFZSA-N 422.412 4.910 5 1 HJBF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148312 XIZKWAWVFHODKQ-YZVOILCLSA-N 411.506 4.571 5 1 HJBF Cc1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 587118102 JVZIFGOAODEPGC-UHFFFAOYSA-N 401.348 4.710 5 1 HJBF COc1ccccc1Nc1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587240372 IRKANJCXYZJMOH-UHFFFAOYSA-N 405.370 4.799 5 1 HJBF COc1cc(OCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1[N+](=O)[O-] 587262687 DXZCGBGZEULNSC-UHFFFAOYSA-N 401.728 4.731 5 1 HJBF COc1cc2c(cc1OC)[C@H]1Cc3c(c(=O)oc4c3ccc3ccccc34)CN1CC2 64503816 UZZYBVSXVRTVHX-JOCHJYFZSA-N 413.473 4.619 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)O2 587390525 QYEPJVMIUKEAAU-JOCHJYFZSA-N 404.422 4.771 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1 587691513 CCSUQFOVLMJFFQ-HUTHGQBESA-N 413.674 4.948 5 1 HJBF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncnc2c1sc(=S)n2-c1ccccc1 45302113 YWZCBGVPQWBGBL-UHFFFAOYSA-N 424.467 4.764 5 1 HJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 587272227 LNSYDNQYPMLJTN-UHFFFAOYSA-N 401.304 4.691 5 1 HJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511363 GIDILUZVTSDUAR-HSZRJFAPSA-N 418.449 4.979 5 1 HJBF CC[N+](CC)(CC)CCCOc1c2occc2c(Br)c2ccc(=O)oc12 1542007 SRCHOAKFMPJZQX-UHFFFAOYSA-N 423.327 4.947 5 1 HJBF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cc([N+](=O)[O-])ccc1SC 27748957 YZMARTUHSZYWMA-CQGUWYRNSA-N 420.487 4.518 5 1 HJBF COc1ccc(Nc2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3nc2-c2ccccc2)cc1 40867345 MRWNSJWIGJXVCR-UHFFFAOYSA-N 417.381 4.865 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691115 BZDIYSSRHMCFIJ-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[N@@+]1([O-])CCC[C@@H]1C3 253723947 YGBVKYSGPYHGGR-PWECECGKSA-N 409.482 4.561 5 1 HJBF Cc1nc(-c2c[nH]cc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1 587021734 PVIHLRIJNANTNT-UHFFFAOYSA-N 404.249 4.661 5 1 HJBF COC(=O)c1cccc2nc3c([C@@H](O)[C@H](CCCCC(C)C)C(=O)O)cccc3nc12 2356389054 FNSRQTYQIYLNST-HTAPYJJXSA-N 424.497 4.520 5 1 HJBF CCCCOc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br 587267627 NWRAUVUMYGKVRQ-LLVKDONJSA-N 422.283 4.527 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)O2 587376880 URIRCHQGVRLSJM-OAQYLSRUSA-N 418.877 4.968 5 1 HJBF COCCOc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 587265171 LLIOGXOUXRRJLC-UHFFFAOYSA-N 419.437 4.742 5 1 HJBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587929251 HNXBBDVZEVNJEG-VOJFVSQTSA-N 402.248 4.687 5 1 HJBF COc1cc(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1[N+](=O)[O-] 587262999 KBEFTNQNXQIVKJ-UHFFFAOYSA-N 405.410 4.638 5 1 HJBF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587575263 IJLGVCGIJCJVMM-NFBKMPQASA-N 421.405 4.576 5 1 HJBF Nc1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(-c2ccccc2Cl)n1 587061678 XMZFLJGBFIRYGG-UHFFFAOYSA-N 423.867 5.019 5 1 HJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)cc(Cl)c2[nH]1 587158228 AUHBEKWTOKACOL-UHFFFAOYSA-N 400.591 4.605 5 1 HJBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Br)cc1[N+](=O)[O-] 587869516 LKPUDIABNXBQDH-UHFFFAOYSA-N 406.211 4.748 5 1 HJBF O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3)s2)c([N+](=O)[O-])c1 653842779 POMZTNHWXWIYRU-UHFFFAOYSA-N 408.848 4.967 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O 587434344 SZRNHVMZLKSUOO-WMZHIEFXSA-N 403.390 4.884 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751660 NLEACTGILDQUMI-DYBLOJMWSA-N 404.239 4.601 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])N1 587752880 UEJRZODTLACWJB-XTZNXHDOSA-N 416.250 4.668 5 1 HJBF CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 13642408 RISASGPFGUVXIG-UHFFFAOYSA-N 406.225 4.931 5 1 HJBF Cc1c(-c2nc3cccc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980179 PPLWKASNIAFHLS-UHFFFAOYSA-N 411.053 4.972 5 1 HJBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2F)c1 587143540 HTNXSFFUBFIOBO-UHFFFAOYSA-N 407.357 4.651 5 1 HJBF COc1ccc2nc(NC(=O)Cc3cc(=O)oc4c3ccc3ccccc34)sc2c1 71332618 WCIFAEZIOBFYSR-UHFFFAOYSA-N 416.458 4.746 5 1 HJBF C[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542746 JEXMAWDZANQZGT-WIYYLYMNSA-N 411.797 4.831 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc([N+](=O)[O-])cc32)N1 587750779 JMCHIDZJMVQERN-JEOXALJRSA-N 405.267 4.611 5 1 HJBF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 29048721 HJPGFVBOPVLZHD-UHFFFAOYSA-N 403.394 4.729 5 1 HJBF C[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540906 CCQORSMAAXYZGF-WIYYLYMNSA-N 411.797 4.831 5 1 HJBF C[C@@]1(C(=O)Nc2ccc3cc4ccccc4cc3c2)C[C@]2(C)C[C@@](C)(C1)[C@@H](O)NC2=O 102987010 UCAIIDSEJYRYBB-BIGMCNFVSA-N 416.521 4.583 5 1 HJBF C[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542744 JEXMAWDZANQZGT-RXVVDRJESA-N 411.797 4.831 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1 587749234 CYBBQCPOAMKFLW-BIBXISHDSA-N 419.294 4.956 5 1 HJBF O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl 6336420 AACFRJDPYQPXPD-UHFFFAOYSA-N 406.876 4.644 5 1 HJBF CCc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c([N+](=O)[O-])c1 586986861 GETNIESIRSUMNT-UHFFFAOYSA-N 412.401 4.995 5 1 HJBF Cn1cc(N(CC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1 40936768 VHKZXRZTMAVRKT-UHFFFAOYSA-N 410.518 4.888 5 1 HJBF Cc1cc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-] 586960888 QVYMNNQNIHOIRB-LJAQVGFWSA-N 405.479 4.818 5 1 HJBF Cc1cc2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc2cc1[N+](=O)[O-] 587114370 RUMWSIIGDIMVNY-UHFFFAOYSA-N 424.404 4.670 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 587691644 HMVXUOGMOGHLOA-XYZCENFISA-N 413.674 4.948 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1 587744356 DHJDMOHDXNKBHS-WYRIXSBYSA-N 421.266 4.519 5 1 HJBF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)s1 587014396 KYBJJGQIMLISCC-MRVPVSSYSA-N 411.281 4.763 5 1 HJBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587229863 CSIGIBBWACOFGF-SFTDATJTSA-N 401.510 4.906 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1Br)CC2=O 587455363 BBIWWVXLIDMMBR-KRWDZBQOSA-N 406.232 4.722 5 1 HJBF Clc1cc(=[N+]2CCCC2)cc2sc3cc(N4CCCC4)cc(Cl)c3nc1-2 139606443 CQKOYEWPECSDTB-UHFFFAOYSA-N 405.374 4.874 5 1 HJBF in-vivo O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)nn2)c1 587269241 JDLWJCRSMUTKDB-UHFFFAOYSA-N 414.450 4.870 5 1 HJBF O=[N+]([O-])c1ccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1 587264636 OUPWZKZZUICZHE-UHFFFAOYSA-N 416.699 4.522 5 1 HJBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C[N+]1([O-])CCC[C@H]1C3 14824785 JJGAPUUIERNMBQ-GQBYZMJGSA-N 409.482 4.561 5 1 HJBF Cc1c([C@@H](C)c2c(F)cccc2F)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862878 DHEIZGQZZRBYQY-NSHDSACASA-N 417.437 4.709 5 1 HJBF CC1(C)CN[C@](C)(CCc2c[nH]c3cccc([N+](=O)[O-])c23)c2c1ccc1c2OCO1 963392134 XZYSAZMOECVAEI-HSZRJFAPSA-N 407.470 4.534 5 1 HJBF NCCCCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95580964 CJDLVXOREVFMNU-UHFFFAOYSA-N 412.273 4.662 5 1 HJBF Cc1oc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-] 587268575 FLJDEVIWGQPQNG-UHFFFAOYSA-N 401.014 4.565 5 1 HJBF Cc1c2c(c3oc4c(C(=O)O)c(=O)c(C)c5c-4c(c3c1O)O[C@H](C)[C@@H]5C)O[C@H](C)[C@H]2C 2356412197 KHKBBPWTNDAWPC-JTRYMVSWSA-N 424.449 4.687 5 1 HJBF COc1cc2cc(C(=O)N3CCC[C@H]3C)c3cc(OC)c(OC)cc3c2cc1OC 103272178 ALEBKNKSCJUKOK-CQSZACIVSA-N 409.482 4.652 5 1 HJBF Brc1c[nH]c2nccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c12 587002959 IOIVGJUPJMWWPV-UHFFFAOYSA-N 415.254 4.965 5 1 HJBF Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Nc3ncnc4sccc34)c2)c1 1857588279 ZWHSAMWNATXSFX-UHFFFAOYSA-N 405.439 4.904 5 1 HJBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587147216 GQEFBYCBACLWIP-UHFFFAOYSA-N 407.357 4.651 5 1 HJBF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc([N+](=O)[O-])cc2)n1 587514513 ZFIXPQZADJHWOI-NRFANRHFSA-N 403.438 4.581 5 1 HJBF O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)n1ncc2ccc(Cl)cc2c1=O 587654286 REBXSAYWKQXDCX-UHFFFAOYSA-N 420.233 4.515 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)c(OC)c1[N+](=O)[O-])CC2=O 587465286 GMVSWDVALQSUJZ-INIZCTEOSA-N 423.368 4.569 5 1 HJBF COc1cc2oc3cc4c(c(O)c3c(=O)c2c2c1OC(C)(C)CC2)CCC(C)(C)O4 238732708 AHTDNQAGXWCPEF-UHFFFAOYSA-N 410.466 4.868 5 1 HJBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587267993 VFZXPYRAHVBJHL-ZETCQYMHSA-N 407.274 4.623 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)N1 587752362 RMJSBSZDUOTNQH-LZVRBXCZSA-N 405.223 4.866 5 1 HJBF CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc([N+](=O)[O-])ccc3c1C2=O 71332755 MVSVXPQPZLRUGH-UHFFFAOYSA-N 421.497 4.667 5 1 HJBF Cc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878569 AGFPRDBMHKPXRN-UHFFFAOYSA-N 418.365 4.720 5 1 HJBF COc1cc(OCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1[N+](=O)[O-] 587262617 DJSLRJJWLYQETE-UHFFFAOYSA-N 401.728 4.731 5 1 HJBF O=C(Nc1ccccc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc([N+](=O)[O-])cc1 53229838 FTHUBTOAEULBQO-UNOMPAQXSA-N 400.394 4.732 5 1 HJBF CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587390346 PTVVCILVLYNEEY-BLVKFPJESA-N 414.458 4.625 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1 587704421 UBQZVDDKZAZICF-XYZCENFISA-N 413.674 4.948 5 1 HJBF COC(=O)c1cccc2nc3c([C@H](O)[C@H](CCCCC(C)C)C(=O)O)cccc3nc12 2356389055 FNSRQTYQIYLNST-JTSKRJEESA-N 424.497 4.520 5 1 HJBF Cc1ccccc1/C=C\c1ncc([N+](=O)[O-])n1CCOC(=O)c1c[nH]c2ccccc12 299830828 PQDJXEMATLQZGP-KHPPLWFESA-N 416.437 4.608 5 1 HJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 587262636 VIXGGGQLYHSDEQ-UHFFFAOYSA-N 410.655 4.817 5 1 HJBF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccccc1 40766639 WDVQDWKWWICBGM-NRFANRHFSA-N 421.453 4.626 5 1 HJBF COc1ccccc1CNc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163830 LPROOOLVDBDDSP-UHFFFAOYSA-N 417.425 4.636 5 1 HJBF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccccc1[N+](=O)[O-] 64503411 JQLRBWSLHFBWDQ-HXUWFJFHSA-N 412.405 4.728 5 1 HJBF Cc1cc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1[N+](=O)[O-] 587117388 ROVALXWOAPFODX-UHFFFAOYSA-N 413.787 4.768 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccc([N+](=O)[O-])cc3)c1)O2 587389515 LMKFAUYACSDHHS-JOCHJYFZSA-N 404.422 4.771 5 1 HJBF O=[N+]([O-])c1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1[N+](=O)[O-] 587083241 KKWOEAWYLDOYBZ-UHFFFAOYSA-N 404.169 4.901 5 1 HJBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Br)Oc2c1ccc1c2CCCC1 587503512 OQZOXZDHLRBOOA-GOSISDBHSA-N 402.244 4.943 5 1 HJBF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587748709 VVQLCVUSGCBPBL-NSPYISDASA-N 423.282 4.693 5 1 HJBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587096437 BGQJJOSCWPPTBB-UHFFFAOYSA-N 400.154 4.843 5 1 HJBF N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12 587259497 SLKSMWMHEVKDLN-HNNXBMFYSA-N 411.259 4.629 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(C(=O)O)c3)cc1[N+](=O)[O-])O2 587391259 UBAICOKPICNISX-NRFANRHFSA-N 418.405 4.557 5 1 HJBF CCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147945 BONZRQLSFPBFAU-DNVCBOLYSA-N 411.506 4.572 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)O2 587386018 WVPPANAHVMBNPU-JOCHJYFZSA-N 422.412 4.910 5 1 HJBF Cn1cc([N+](=O)[O-])c(Oc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587511742 IIQUGLUFPBZOML-OAQYLSRUSA-N 419.437 4.706 5 1 HJBF CC[C@H](C)CCC[C@@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12 2356341875 ZHIGZPDMAWIDEJ-ORHBMQHOSA-N 424.497 4.520 5 1 HJBF COc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143557 IPTWXJQDGIWIFD-UHFFFAOYSA-N 407.357 4.651 5 1 HJBF COCCN(CCOC)c1nc2cc(-c3ccc(Cl)cc3)nnc2c2ccccc12 28758909 JTOBLBQUKXWDIX-UHFFFAOYSA-N 422.916 4.598 5 1 HJBF CSC1=N[C@@H]2/C(=C(\O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1 169302114 WASSYUHVCUFIGT-JEFCNZTNSA-N 407.517 4.892 5 1 HJBF Nc1ccc2cc3ccccc3nc2c1COC(=O)OCc1ccc([N+](=O)[O-])cc1 40556645 GJQREDNZFGOFOP-UHFFFAOYSA-N 403.394 4.732 5 1 HJBF C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2 169331626 OMSYSIFYXZPFJL-UHFFFAOYSA-O 412.457 4.760 5 1 HJBF Brc1c[nH]c2nccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c12 587004369 TYXRKZURYWAHJC-UHFFFAOYSA-N 415.254 4.965 5 1 HJBF COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nn1-c1ccccc1F 587156853 TWQYJVVBGCCIAS-UHFFFAOYSA-N 410.412 4.660 5 1 HJBF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587749505 YUCOXPHUMNYWPH-XTZNXHDOSA-N 409.255 4.519 5 1 HJBF O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 28113780 XVSUKAKPYAUKOR-UHFFFAOYSA-N 405.454 4.899 5 1 HJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 40766767 VRYRQEGXRQAYHU-HXUWFJFHSA-N 400.522 4.743 5 1 HJBF O=C1Nc2ccccc2[C@@H]1[C@H](C(=O)c1ccccc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 84544607 JSRIHPSOTRAYNB-FGZHOGPDSA-N 411.417 4.779 5 1 HJBF CCN(CC)c1ccc2nc3c4ccc(OCCCC(=O)O)cc4c(=O)cc-3oc2c1 29123202 RSMWQUZHSQOILU-UHFFFAOYSA-N 420.465 4.536 5 1 HJBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2-c2ccc(OC)cc2[N+](=O)[O-])N1 962943838 CWCSTIZSDMGBPQ-IZHWHUGBSA-N 416.481 4.889 5 1 HJBF O=C(Cc1c[nH]c2ccccc12)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772587891 BXAIHPKOUWDGQO-UHFFFAOYSA-N 420.516 4.761 5 1 HJBF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587241394 AFOOPKATCBCOPI-UHFFFAOYSA-N 417.263 4.885 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(OC(C)C)cc2[nH]1 587264784 SVUZYEAIFGYZNP-CYBMUJFWSA-N 413.430 4.610 5 1 HJBF O=C(c1cc2n(n1)C(C(F)(F)F)=CC(=C1CC1)N2)c1coc2cc([N+](=O)[O-])ccc12 587280096 IWHCZOOABDVUIV-UHFFFAOYSA-N 416.315 4.645 5 1 HJBF O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1F 587152370 ZTCKFWHFPOCCMA-UHFFFAOYSA-N 400.591 4.605 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])c(Br)cc1F)CC2=O 587468693 ZAKMHCNSMZRMDO-QGZVFWFLSA-N 424.222 4.861 5 1 HJBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCC[C@H]1C3 36475161 LTUGUGXKMMPGRF-HNNXBMFYSA-N 407.510 4.938 5 1 HJBF Cc1c(F)cccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc([N+](=O)[O-])c1 587136760 MEIBNGAPEYQBGV-UHFFFAOYSA-N 418.384 4.584 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1[N+](=O)[O-])CC2=O 587455343 AQYPWJBLPBUIDV-INIZCTEOSA-N 406.232 4.722 5 1 HJBF O=C([C@@H]1Cc2ccccc2[C@@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12)C(F)(F)F 962730322 NCTCUTDZMAMNPN-RBBKRZOGSA-N 424.378 4.513 5 1 HJBF O=[N+]([O-])c1ccc([C@@]2(c3ccccn3)NCCc3c(Cl)cc(Cl)cc32)cc1 963110216 MSWYZRCCAMWPLB-HXUWFJFHSA-N 400.265 4.734 5 1 HJBF COc1cccc2c(=O)c3cc(Cl)cc(C(=O)Nc4cc(Cl)ccn4)c3[nH]c12 49115835 GQTWBBSVPZQOLR-UHFFFAOYSA-N 414.248 4.644 5 1 HJBF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587190278 HABYOYCDFFYRTQ-KRWDZBQOSA-N 400.410 4.567 5 1 HJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587268733 CISJERIZFVIGSX-UHFFFAOYSA-N 423.217 4.779 5 1 HJBF O=C1C[C@H](c2c(Br)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587498144 FPOGFWJJENPLSO-QGZVFWFLSA-N 402.244 4.943 5 1 HJBF CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587748712 VVQLCVUSGCBPBL-WYRIXSBYSA-N 423.282 4.693 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 587750365 HXANVHTVDCAFMT-NIVTXAMTSA-N 404.239 4.601 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1 587696213 DOAQFENLBQILRE-HUTHGQBESA-N 413.674 4.948 5 1 HJBF CC(C)COc1cccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587566152 XXMDYOHNCPNDTC-UHFFFAOYSA-N 420.263 4.847 5 1 HJBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 40766770 VRYRQEGXRQAYHU-FQEVSTJZSA-N 400.522 4.743 5 1 HJBF COCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174138 FNGQFZGNHLSSEF-UHFFFAOYSA-N 421.482 4.777 5 1 HJBF C[C@]1(c2cc(F)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328562 AZOABGMTNWURCD-IFMALSPDSA-N 411.360 4.853 5 1 HJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc([N+](=O)[O-])c1 587135580 IGANOBFHYWNOFN-UHFFFAOYSA-N 418.428 4.954 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Cl)c(C)c2[nH]1 587266154 YSVYXSXGUUGMSO-NSHDSACASA-N 403.822 4.784 5 1 HJBF CC(C)(C)c1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 587269205 IJLRADHBROQXJL-UHFFFAOYSA-N 406.486 4.788 5 1 HJBF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc([N+](=O)[O-])cc2)n1 587514515 ZFIXPQZADJHWOI-OAQYLSRUSA-N 403.438 4.581 5 1 HJBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(Br)cc3c21 13519349 SZSACUHPMFYGKC-UHFFFAOYSA-N 404.223 4.602 5 1 HJBF O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)c1 587623172 MWRGZBBJMYRYLX-UHFFFAOYSA-N 423.230 4.568 5 1 HJBF CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644981 SROYHNZGGHVBPD-UHFFFAOYSA-N 407.209 4.796 5 1 HJBF O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cccc3c2n1CCC3 14945575 QWVAMBOGTHZLJE-UHFFFAOYSA-N 401.372 4.537 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3ccccc3cc2[nH]1 587264000 QAXQGRYJDUXCNX-CYBMUJFWSA-N 405.410 4.976 5 1 HJBF CC[C@@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148361 ADMXOBPGSWSTNR-OAHLLOKOSA-N 411.506 4.572 5 1 HJBF Cc1cc(F)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 587118351 MRIOLAOVJMGLNG-UHFFFAOYSA-N 419.338 4.849 5 1 HJBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587229857 CSIGIBBWACOFGF-LEWJYISDSA-N 401.510 4.906 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc1)O2 587388410 BASPAUSLVAEXCQ-NRFANRHFSA-N 418.405 4.557 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncccc2c1[N+](=O)[O-] 587574678 GHIIMMBIYMPIBZ-CVDCTZTESA-N 414.373 4.552 5 1 HJBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c([N+](=O)[O-])c1)CC2=O 587456451 PBVZTMOCQFVMJX-IBGZPJMESA-N 420.259 4.896 5 1 HJBF CCCc1cc2c3ccc(OC)c(OC)c3c[n+]3c2c2c(cc4c(c12)OCO4)CC3 1857561538 ZROGXYXNOMBGTR-UHFFFAOYSA-N 402.470 4.688 5 1 HJBF CN(c1ccc([N+](=O)[O-])c2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl 1857600279 UDBYLJGTZRFVQD-UHFFFAOYSA-N 411.266 4.880 5 1 HJBF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163678 NCUBHYILOCZNOM-KBPBESRZSA-N 407.474 4.806 5 1 HJBF Clc1cnc(Br)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n1 587005185 BBLQHWUXZXYYDG-UHFFFAOYSA-N 411.650 4.532 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)c(F)cc2[nH]1 587261336 BCKLYWRXCWELOS-SECBINFHSA-N 407.785 4.615 5 1 HJBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 586915536 FSROJBRMGPEOEM-BVZFJXPGSA-N 408.461 4.876 5 1 HJBF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586962380 DQKHTEAQDUDUAA-GOSISDBHSA-N 402.483 4.707 5 1 HJBF COc1cc(OCc2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1[N+](=O)[O-] 587263120 MVNJIUVNQHELNL-UHFFFAOYSA-N 405.410 4.638 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1[N+](=O)[O-])C1CC1 587575081 IHERINRNQZSBJG-ZJSXRUAMSA-N 417.417 4.654 5 1 HJBF CN(C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82135170 JFKKSKKICQYCEY-UHFFFAOYSA-N 423.517 4.811 5 1 HJBF Cc1cc2[nH]c(/C=C/c3cccc(I)c3)nc2cc1[N+](=O)[O-] 587183749 IJELZKYFHVHEFA-AATRIKPKSA-N 405.195 4.555 5 1 HJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)cc([N+](=O)[O-])c1)CC2=O 587457493 ISOOKFZUKIWMBN-IBGZPJMESA-N 420.259 4.896 5 1 HJBF CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963106403 MZDWBBMABQJEQE-NYHFZMIOSA-N 423.444 4.502 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1 587701986 YMNDXGSKWCUKDG-VVVCHXIZSA-N 413.674 4.948 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)cc(F)c2[nH]1 587263442 MRJPJTUMWOYPKI-VIFPVBQESA-N 407.785 4.615 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)N1 587754056 XNPYKMDSFSBAQG-YUNKPMOVSA-N 419.294 4.805 5 1 HJBF COc1ccc2c3ccc4c5c(cc6c4c3n(cc-2c1=NCc1ccco1)CC6)OCO5 1857537720 XPPLXIKYTAQJQZ-UHFFFAOYSA-N 424.456 4.887 5 1 HJBF Cc1nc(C(=O)Nc2ccccc2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 13478271 ACWFBXSXABCZMT-NRFANRHFSA-N 422.466 4.652 5 3 HJBF CCn1c2c3cc(OC)c(O)cc3ccc2c2c(=O)oc3cc(O)c(OC)cc3c21 202844098 VZJCRYLXTNYFIB-UHFFFAOYSA-N 405.406 4.502 5 1 HJBF O=[N+]([O-])c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1F 586961536 VUSCEMWDOPKYAF-GDLZYMKVSA-N 409.442 4.649 5 1 HJBF Cc1cc(N(C)Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c([N+](=O)[O-])cc1F 587136127 BTJZATNVDNTUPW-UHFFFAOYSA-N 416.416 4.651 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c([N+](=O)[O-])cccc32)N1 587754630 ZMANGXRRJUJLTR-WYRIXSBYSA-N 405.267 4.611 5 1 HJBF Cc1cc(F)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587057373 WCDVGLVCXKVJAO-INIZCTEOSA-N 404.829 4.699 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1 587753266 UVKPBZJCSCPRDW-HUTHGQBESA-N 404.239 4.601 5 1 HJBF COc1cc(C2(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CC2)ccc1C 587924733 CWFUNGUXQGGXOI-UHFFFAOYSA-N 402.248 4.631 5 1 HJBF Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(Cl)cc1Cl 1857590666 QWSSJVOAVGLCST-UHFFFAOYSA-N 415.236 4.880 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc([N+](=O)[O-])cc32)N1 587754095 XOYHUDJGHBDHIG-NSPYISDASA-N 405.267 4.611 5 1 HJBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1OCc1ccccc1 587943904 SIGBJIWKAFRHAM-UHFFFAOYSA-N 421.222 4.880 5 1 HJBF COc1c(O)c(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)ccc(O)c3n(C)c12 66098173 LICNIJQEAUQKSD-UHFFFAOYSA-N 423.509 4.835 5 1 HJBF biogenic COc1cc2oc3cc(O)c4c(c3c(=O)c2c2c1O[C@@H](C(C)C)C2)OC(C)(C)CC4 238769491 AUXBUMVCOFRWNG-OAHLLOKOSA-N 410.466 4.724 5 1 HJBF CCN(CC)CCNCc1cc2c(c3oc4ccccc4c(=O)c13)C=CC(C)(C)O2 22452367 HLFQDARYJDYOCD-UHFFFAOYSA-N 406.526 4.562 5 1 HJBF O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 45167200 WUMMNKQFOJGZBS-UHFFFAOYSA-N 423.300 4.688 5 1 HJBF CC(C)(C)c1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1 45335013 GZBNXSFJAXGIAZ-FQEVSTJZSA-N 407.470 4.734 5 1 HJBF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587147399 LAFNHMBGCJUDRJ-UHFFFAOYSA-N 407.357 4.651 5 1 HJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587262163 PDMFNWAWILIDJC-UHFFFAOYSA-N 404.264 4.780 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1ccc(SCc4ccco4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587451609 KCUUCIURNXCQPW-KSFYIVLOSA-N 423.446 4.977 5 1 HJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148570 OSORUTDIJCKYEB-HOTGVXAUSA-N 423.517 4.524 5 1 HJBF CC(C)N1CCn2c3c(cccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C1 14945567 WGSHAPDRHIWKQA-UHFFFAOYSA-N 422.488 4.537 5 1 HJBF CCCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147940 BONZRQLSFPBFAU-KXBFYZLASA-N 411.506 4.572 5 1 HJBF CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12 587644229 QVQASEKKGNTBGG-UHFFFAOYSA-N 403.232 4.611 5 1 HJBF O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587646822 KQQCTWHNPGFPMP-UHFFFAOYSA-N 415.405 4.767 5 1 HJBF Cc1cc2c(Br)ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2o1 587004065 PHRHUQSIODWOBN-UHFFFAOYSA-N 417.175 4.863 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OC(C)C)cc2[nH]1 587264786 SVUZYEAIFGYZNP-ZDUSSCGKSA-N 413.430 4.610 5 1 HJBF O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645260 MZXMIWQRWUMMGN-UHFFFAOYSA-N 400.259 4.927 5 1 HJBF O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nc2ccccc2s1 1772584037 DTSAHPSUIGGWDD-PMACEKPBSA-N 417.446 4.740 5 1 HJBF COc1ccc(CSc2nnc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)o2)cc1 1772615616 OHVMJTBKXBXOFH-UHFFFAOYSA-N 411.361 4.965 5 1 HJBF CC[N+]([O-])(CC)CCn1nc2c3ccc(Cl)cc3sc3c(CO)ccc1c32 34778488 QDBKUTUYPSNUHG-UHFFFAOYSA-N 403.935 4.904 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc([N+](=O)[O-])cc1CC2 587574985 HNNSQDIXNXSINS-ZJSXRUAMSA-N 417.417 4.580 5 1 HJBF COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)CC2 587935989 YDRXVRNLXKOGCV-NSHDSACASA-N 402.248 4.515 5 1 HJBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(C(F)(F)F)cc1 587646249 MEMUWNXTCROODX-UHFFFAOYSA-N 406.316 4.503 5 1 HJBF COc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 29571299 WBZLODXOELQXEH-YKSUBFFASA-N 406.438 4.664 5 1 HJBF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746056 IUUVCVOIZOGCIS-XTZNXHDOSA-N 409.255 4.519 5 1 HJBF CCc1nc2c([N+](=O)[O-])cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28366559 DJBLFXMTTDCDLJ-UHFFFAOYSA-N 401.422 4.920 5 1 HJBF O=C(Nc1ccc2cc3ccccc3nc2c1CO)OCc1ccc([N+](=O)[O-])cc1 40762732 ZIJKPXSXYYRQPI-UHFFFAOYSA-N 403.394 4.537 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1[N+](=O)[O-])CC2=O 587455344 AQYPWJBLPBUIDV-MRXNPFEDSA-N 406.232 4.722 5 1 HJBF C[C@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576556 OYHMMOAJBQNGBA-NZQKXSOJSA-N 417.373 4.924 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2[N+](=O)[O-])N1 587698483 QJEFMUCRPOOYNJ-XYZCENFISA-N 413.674 4.948 5 1 HJBF COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@H]1CCC[N@+]1([O-])C3 257407204 DMXRQESJIQTZCZ-PWECECGKSA-N 409.482 4.561 5 1 HJBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2Br)Oc2c1ccc1c2CCCC1 587495676 FGARMYRNZPWGAA-KRWDZBQOSA-N 402.244 4.943 5 1 HJBF COc1ccc([C@@H]2[C@H]3CNc4c(cccc4[N+](=O)[O-])C3=NN2c2ccccc2)cc1 1772637314 NHNKDUUDSZZXTN-WMZHIEFXSA-N 400.438 4.611 5 1 HJBF COc1cc2c3c(c4ccc(OC(C)=O)cc4c2cc1OC)CN1CCCC[C@@H]1C3 1772656567 IZFIJVMPRSKKEC-MRXNPFEDSA-N 405.494 4.846 5 1 HJBF C[N+](C)(CCCCCc1ccc(-c2ccccc2)cc1)CCCCS(=O)(=O)O 26576112 XPCLHFQZYFKTAI-UHFFFAOYSA-O 404.596 4.811 5 1 HJBF in-vivo COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3cccc(C(F)(F)F)c3)c[n+]12 299844478 AHRRGFJZVFKCMN-UHFFFAOYSA-O 410.375 4.656 5 1 HJBF Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cccc1[N+](=O)[O-] 587260876 KFFRKILQXBEDKG-UHFFFAOYSA-N 411.053 4.972 5 1 HJBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587929249 HNXBBDVZEVNJEG-ADLMAVQZSA-N 402.248 4.687 5 1 HJBF COc1cc(F)ccc1-c1cccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587159213 NAQJYXIDGKRGLN-UHFFFAOYSA-N 422.372 4.785 5 1 HJBF CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2cccc([N+](=O)[O-])c12 587645967 HFKYHIXIMPKPSL-UHFFFAOYSA-N 407.195 4.821 5 1 HJBF C[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542740 JEXMAWDZANQZGT-GHTZIAJQSA-N 411.797 4.831 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncccc3c2[N+](=O)[O-])N1 587753670 WGTUIEGBKSVSIG-YPMLDQLKSA-N 416.250 4.668 5 1 HJBF Cc1c(-c2ccc(OCCN3CCOCC3)cc2)c(=O)oc2ccc3ccccc3c12 61923125 RTQRVWAUTBEZTC-UHFFFAOYSA-N 415.489 4.633 5 3 HJBF O=c1c2ccccc2n(Cc2cn(Cc3ccc(Cl)cc3)nn2)c2c(F)cccc12 299860319 GLUQBWYAXCIVDD-UHFFFAOYSA-N 418.859 4.635 5 1 HJBF CC(=O)Nc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 653727903 JLTSHSIXQXASDV-QHCPKHFHSA-N 400.438 4.909 5 1 HJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)c(F)cc2[nH]1 587054938 NGUXVWUZQJPYNA-MRXNPFEDSA-N 408.792 4.530 5 1 HJBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(Cc2ccccc2)c1O 587943704 OIHHEOOMIWVVFD-UHFFFAOYSA-N 421.222 4.598 5 1 HJBF Cc1cccnc1[C@]1(c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2C[C@@H]2CCCN21 963095989 DQEBYWHHFDNXBO-RDPSFJRHSA-N 403.457 4.750 5 1 HJBF COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[C@]1(C)CCCN1C3 14593898 GPULNVYNTZGQGU-VWLOTQADSA-N 407.510 4.938 5 1 HJBF biogenic O=C1S/C(=C\c2sc(Cl)nc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 28650469 PNJCZEIPCHFKNS-YHYXMXQVSA-N 416.267 4.595 5 1 HJBF O=C1OCC2=C1[C@@H](c1ccc(O)c(Cl)c1)c1c(c3cccnc3c3ncccc13)N2 299833912 AQQBILADIKZJJN-KRWDZBQOSA-N 415.836 4.510 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O 587431897 ICPQOLCSBOYEDS-WMZHIEFXSA-N 403.390 4.884 5 1 HJBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)c1cc(C)ccc1[N+](=O)[O-] 963630169 CEIOQXYCUKRCBJ-GKVSMKOHSA-N 418.493 4.747 5 1 HJBF O=C(O)C[C@@H](CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 217063343 AAPFKAWUMADDPS-QGZVFWFLSA-N 420.421 4.974 5 1 HJBF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2N1 587126450 XDKCKGJGZBDATJ-XTZNXHDOSA-N 423.402 4.830 5 1 HJBF COc1cc2c(/C=C/CN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 40952251 QXIHBYNJARTICK-AATRIKPKSA-N 416.477 4.862 5 1 HJBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(OC)c1OC(F)F)CC2=O 587466906 QFXPZJFYWSHGBI-INIZCTEOSA-N 423.368 4.569 5 1 HJBF CN(C)CCCn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3 14944020 HACWJRNIFJVYCL-UHFFFAOYSA-N 410.521 4.635 5 1 HJBF COc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Cl)c1OCC(C)C 587045657 ATTWQNBLEPDAME-UHFFFAOYSA-N 420.809 4.743 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 587751419 MGYNLWBLPJXIRQ-APBUJDDRSA-N 418.266 4.775 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c([N+](=O)[O-])cccc32)N1 587754627 ZMANGXRRJUJLTR-JEOXALJRSA-N 405.267 4.611 5 1 HJBF COc1ccc2c(C(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccc(OC)c(O)c3)[nH]c2c1 96937887 VRNSBWPFBOFHEL-UHFFFAOYSA-N 418.405 4.697 5 1 HJBF COc1ccc(NC(C)(C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587201596 TYJUHWADVBKXQR-UHFFFAOYSA-N 405.252 4.589 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1 587692911 IFKMFGFDBOKFTM-XYZCENFISA-N 413.674 4.948 5 1 HJBF CS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl 586927234 ULTWNBIAZGUULN-UHFFFAOYSA-N 420.661 4.502 5 1 HJBF O=Cc1ccc(O[C@H]2C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1857591803 ORTVPDYEUGMIDO-LEWJYISDSA-N 422.824 4.596 5 1 HJBF C[C@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547900 OBTSMWXFJHOHKT-GHTZIAJQSA-N 411.797 4.831 5 1 HJBF CCCCCC[C@@H](C(=O)OC)C(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12 2356833439 KGAXVELBGHHQJE-QGZVFWFLSA-N 422.481 4.512 5 1 HJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(Cl)c2[nH]1 587056775 UPZITXDFLXTVJX-HNNXBMFYSA-N 407.257 4.905 5 1 HJBF O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(O)c3F)nc3cccc1c23 587102681 DCVPNYXCIUZMHU-UHFFFAOYSA-N 400.365 4.790 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2)N1 587696215 DOAQFENLBQILRE-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF COc1cc(-c2ccccc2)c(OC)n1-c1cccc(Br)c1[N+](=O)[O-] 587935556 BWTQEHUZZPJMBK-UHFFFAOYSA-N 403.232 4.832 5 1 HJBF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)c1C 586947546 RQGNHLFVBVRUAK-UHFFFAOYSA-N 422.466 4.556 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)N1 587744354 DHJDMOHDXNKBHS-NSPYISDASA-N 421.266 4.519 5 1 HJBF COc1ccc2c(c1OC)c(C1CC1)[n+]1c3c2ccc2c4c(cc(c23)CC1)OCO4 1857595250 WNFZGGBHWDEPFK-UHFFFAOYSA-N 400.454 4.613 5 1 HJBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952955 KAJSFGAQGOIKNT-FQEVSTJZSA-N 420.431 4.837 5 1 HJBF CCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148611 MHBXTKXEUBTSJO-UHFFFAOYSA-N 411.506 4.669 5 1 HJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(F)c(F)c2[nH]1 587055261 NZWFFHQXLVUSRA-OAHLLOKOSA-N 408.792 4.530 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587420292 HQGVICKVTSGYOB-QKKBWIMNSA-N 410.813 4.536 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(F)cc1Cl 587559023 UXQWAXVVTXMHMY-XLIONFOSSA-N 415.760 4.796 5 1 HJBF CC1(C)CN[C@@](C)(CCc2c[nH]c3cccc([N+](=O)[O-])c23)c2c1ccc1c2OCO1 963392136 XZYSAZMOECVAEI-QHCPKHFHSA-N 407.470 4.534 5 1 HJBF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1cccc([N+](=O)[O-])c1 64479737 VSLYMXYRVKDUCB-FQEVSTJZSA-N 412.405 4.728 5 1 HJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@H](OC)CCN1C3 68267595 COSZPIQUEIQJCE-NVXWUHKLSA-N 407.510 4.554 5 1 HJBF Cc1ccc2c3c(cc(CC(=O)Nc4ccc([N+](=O)[O-])cc4)nc13)-c1ccccc1C2=O 587096457 BOXAPZSHEVNFLK-UHFFFAOYSA-N 423.428 4.844 5 1 HJBF COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cccc([N+](=O)[O-])c12 587646574 VOURJFCZYPPJOL-UHFFFAOYSA-N 411.172 4.545 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1 587747874 QMWBKWMAEKNOLT-WLRWDXFRSA-N 405.267 4.684 5 1 HJBF COc1ccc2c(c1)[C@H](c1ccccc1[N+](=O)[O-])N(CCOc1ccccc1)CC2 40896351 DGQBLGACOTVHMG-DEOSSOPVSA-N 404.466 4.630 5 1 HJBF COCCOc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1[N+](=O)[O-] 587266399 VSZJCFCBBZODTR-UHFFFAOYSA-N 419.437 4.742 5 1 HJBF O=[N+]([O-])c1ccc([C@@]2(C3CCNCC3)c3ccsc3CCN2Cc2ccco2)cc1 962712886 ONWCLLKAYAYBBX-HSZRJFAPSA-N 423.538 4.551 5 1 HJBF O=[N+]([O-])c1ccc(-n2cc(-c3cccc(Nc4ncnc5ccccc45)c3)nn2)cc1 1857595704 HWULPNILYWAYTC-UHFFFAOYSA-N 409.409 4.529 5 1 HJBF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 587108928 CRZHHKITWNDGBR-UHFFFAOYSA-N 413.739 4.521 5 1 HJBF CC(C)Oc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br 587149493 HLYKCDIWIQAQJJ-UHFFFAOYSA-N 424.226 4.739 5 1 HJBF Cc1ccc([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1[N+](=O)[O-] 962961056 SHCZTDWBRCEMBR-FQEVSTJZSA-N 420.431 4.837 5 1 HJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C2 103234813 LWIJJMUZDJEHEX-CPHPTRQRSA-N 408.459 4.886 5 1 HJBF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 587576937 QFCYSQZNHCGLES-HYBUGGRVSA-N 417.417 4.839 5 1 HJBF CCCN(CCC)CCOc1ccc2[nH]c3cc(OC)cc(Cl)c3c(=O)c2c1 1857542568 MQWCOLOAMSAMRR-UHFFFAOYSA-N 402.922 4.844 5 1 HJBF O=C(CSc1ncncc1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-] 219757335 VSWVBNDMZUHKRW-UHFFFAOYSA-N 416.462 4.936 5 1 HJBF O=[N+]([O-])c1ccc(-c2cnc(S)n2NC(=S)Nc2cccc3ccccc23)cc1 103196552 YWLWMSUOEJSUMS-UHFFFAOYSA-N 421.507 4.841 5 1 HJBF O=[N+]([O-])c1cc(-c2nc3cncnc3[nH]2)ccc1Sc1nc2ccccc2s1 587037117 DVANCXPFBAPFRX-UHFFFAOYSA-N 406.452 4.689 5 1 HJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2c1[N+](=O)[O-] 587573922 DOQIALRCPGTMNR-FDDCHVKYSA-N 414.373 4.552 5 1 HJBF C[C@@H](CCOc1ccc2cc3ccc(OCC[C@@H](C)N(C)C)cc3nc2c1)N(C)C 29409051 OPSVDMVNABBNSE-KDURUIRLSA-N 409.574 4.826 5 1 HJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc3cccnc23)N1 587752902 UNLWJRADIYASOT-APBUJDDRSA-N 416.250 4.668 5 1 HJBF CC(C)(c1ccc([N+](=O)[O-])cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574670 GFWIGIDRLRSJLA-HYBUGGRVSA-N 419.433 4.999 5 1 HJBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 586918019 VTWGYGUYVWXYRH-CPJLOUKISA-N 408.461 4.876 5 1 HJBF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587329732 ALMQYOQZYISREG-GGAORHGYSA-N 423.396 4.722 5 1 HJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C)c2[nH]1 586948147 FGHYYBUXWFYKHD-UHFFFAOYSA-N 422.466 4.556 5 1 HJBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(C3CC3)nn12 1857579766 WBFNRYDDHHZSME-UHFFFAOYSA-N 406.829 4.796 5 1 HJBF Brc1cccn2ncc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c12 587006338 GTUPZUZYCONZCI-UHFFFAOYSA-N 415.254 4.737 5 1 HJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc([N+](=O)[O-])c1)CC2=O 587457808 NQTLNNMDMVWECA-QGZVFWFLSA-N 406.232 4.722 5 1 HJBF COc1ccc(Cl)c2c1CCN[C@@]2(c1cccc([N+](=O)[O-])c1)c1ccccc1F 963256192 BOXLVPMCPAFXOQ-QFIPXVFZSA-N 412.848 4.834 5 1 HJBF NCCCNCCCCNCCCCCNCc1c2ccccc2cc2ccccc12 13522189 NXBCCUHBXYWKEH-UHFFFAOYSA-N 420.645 4.561 5 1 HJBF CNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587337280 OXRHOLCFQHQPJH-JTHBVZDNSA-N 422.412 4.756 5 1 HJBF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82195355 DQISBGQUELJJCE-INIZCTEOSA-N 422.576 4.558 5 1 HJBF FC(F)(F)c1nn(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c2c1CCCC2 587119579 FBFRGXSTKXXMRP-UHFFFAOYSA-N 422.414 4.802 5 1 HJBF Cc1ccc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(=O)O)c2)cc1C 95921142 GQGBAJUULMBPOF-UHFFFAOYSA-N 406.394 4.954 5 1 HJBF in-vitro Cn1cc([N+](=O)[O-])c(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 587512071 KJHWDCMWNVZTDY-NRFANRHFSA-N 419.437 4.706 5 1 HJBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587929252 HNXBBDVZEVNJEG-ZMZPIMSZSA-N 402.248 4.687 5 1 HJBF CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1c1ccc(Cl)cc1 45258303 GGUVXMOQWVIVGY-HNNXBMFYSA-N 415.862 4.577 5 1 HJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(C(F)(F)F)c3[nH]2)CC1 587270641 XKAUVICSOQLMNR-UHFFFAOYSA-N 418.375 4.510 5 1 HJBF CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccc(F)cc12 1911584150 XBNLOKZLCXVCNP-UHFFFAOYSA-N 400.409 4.688 5 1 HJBF COc1ccc(/C=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 26143390 IHYDROZCUNAQKC-XOYLDRSDSA-N 420.465 4.688 5 1 HJBF CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134846 LQKVZUIWEOGLPX-KHYOSLBOSA-N 411.506 4.571 5 1 HJBF COc1cc2[nH]c(-c3ccc4c(c3)[C@@H]([N+](C)(C)C)CC4)cc(=O)c2cc1-c1cnco1 13487626 JCLZYNSITIMVOU-QFIPXVFZSA-O 416.501 4.552 5 1 HJBF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586964352 YOKMWCFPCYIQMR-CQSZACIVSA-N 402.483 4.707 5 1 HJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1C 587862926 LQEZVBGATNGYCS-UHFFFAOYSA-N 420.347 4.874 5 1 HJBF Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980223 SGVJEHPOAUAFJF-UHFFFAOYSA-N 404.117 4.765 5 1 HJBF COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748283 WAGVDVKJOCSKPD-WYRIXSBYSA-N 423.282 4.611 5 1 HJBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccccc1Cl)c1ccccc12 27863250 PAVDGSRTKINUIA-UHFFFAOYSA-N 403.913 5.000 5 1 HJBF O=[N+]([O-])c1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)nn1CC(F)(F)F 587092121 MPNVEMCMPOPNSB-UHFFFAOYSA-N 411.287 4.509 5 1 HJBF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587748710 VVQLCVUSGCBPBL-WLRWDXFRSA-N 423.282 4.693 5 1 HJBF CCc1ccc(-c2cc(C(=O)O)ccc2Nc2ccc([N+](=O)[O-])c3nonc23)cc1 1857610902 OXFJAFTXEKWKPN-UHFFFAOYSA-N 404.382 4.802 5 1 HJBF N=c1ccc2c3ccc(N)cc3c(-c3ccccc3)n(Cc3ccc(C(N)=O)cc3)c-2c1 377799870 ZHGWOKHBKGWYKM-UHFFFAOYSA-N 418.500 4.622 5 1 HJBF CSC1=N[C@H]2/C(=C(/O)OCCCCCSc3c2cccc3[N+](=O)[O-])C(C)=N1 598293 WASSYUHVCUFIGT-ARSNJYAISA-N 407.517 4.892 5 1 HJBF Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587747143 MIWXSUUYFQIVFL-BUXKBTBVSA-N 407.283 4.797 5 1 HJBF NCCCCNCCCCCNCCCNCc1c2ccccc2cc2ccccc12 13522178 JBSOAEHHROUTOG-UHFFFAOYSA-N 420.645 4.561 5 1 HJBF CC(=O)Oc1ccc([C@@]2(c3cccc([N+](=O)[O-])c3)NCCc3c2sc(C)c3C)cc1 963021630 KAGXGRADTIIFDX-QHCPKHFHSA-N 422.506 4.636 5 1 HJBF C[C@@H](CCOc1ccc2cc3ccc(OCC[C@H](C)N(C)C)cc3nc2c1)N(C)C 29409057 OPSVDMVNABBNSE-OALUTQOASA-N 409.574 4.826 5 1 HJBF CCc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587118851 QMXHZBQXNGOMSX-UHFFFAOYSA-N 415.375 4.964 5 1 HJBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2Cl)cc1 13584410 LOSCTXHEKYOVHC-UHFFFAOYSA-N 411.874 4.729 5 1 HJBF CC[C@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148363 ADMXOBPGSWSTNR-HNNXBMFYSA-N 411.506 4.572 5 1 HJBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cc(Cl)cc(Br)c3)c2O)cc1 587940037 IXOLUTZHGJVOMA-UHFFFAOYSA-N 409.623 4.880 5 1 HJBF O=C(NCc1cccc(OC(F)(F)F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086234 BKPDSTQLKBWFJI-UHFFFAOYSA-N 423.372 4.547 5 1 HJBF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587027825 SLXVQLBJYQPLAG-JVPBZIDWSA-N 410.499 4.608 5 1 HJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(Cl)c2[nH]1 587056777 UPZITXDFLXTVJX-OAHLLOKOSA-N 407.257 4.905 5 1 HJBF CC(C)c1ccc([C@H]2[C@@H]3CCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857620429 UPEWMRVTGKHBRK-CTNGQTDRSA-N 413.499 4.620 5 1 HJBF Cc1nn(Cc2ccccc2-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)c1[N+](=O)[O-] 587267639 OAYWJJLJNOREIL-UHFFFAOYSA-N 419.338 4.556 5 1 HJBF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccc([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O 587434100 RENBUGKGFDBDCW-WMZHIEFXSA-N 403.390 4.884 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587752659 SPUHUJUMHXZKKQ-ZRNGKTOUSA-N 418.266 4.910 5 1 HJBF COc1cc2c(cc1OC)[C@@H]1Cc3c(c(=O)oc4c3ccc3ccccc34)CN1CC2 64503814 UZZYBVSXVRTVHX-QFIPXVFZSA-N 413.473 4.619 5 1 HJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCN(C2CC2)CN1C3 72113260 UFSWJACAWXGYOD-QGZVFWFLSA-N 418.537 4.571 5 1 HJBF O=c1c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1CC1CC1 169337109 KMQXLJOONXXRBW-UHFFFAOYSA-N 415.333 4.877 5 1 HJBF Cc1oc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587269624 WRHWWZCEBRSOMZ-UHFFFAOYSA-N 406.114 4.701 5 1 HJBF O=C(NC(=S)Nc1ccc2c(c1)Sc1ccccc1O2)c1ccc([N+](=O)[O-])cc1 1661907 VLHSVOFLJOYVOR-UHFFFAOYSA-N 423.475 4.979 5 1 HJBF CCC(CC)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(O)c(C(F)(F)F)c2)C1=O 84690837 ZPZVDBUXKVWJBY-QPEQYQDCSA-N 418.393 4.792 5 1 HJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1F 587139923 SXORILQTQHBNRY-UHFFFAOYSA-N 406.545 4.971 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)N1 587748638 AUNJEDMNIPBGJV-DYBLOJMWSA-N 404.239 4.601 5 1 HJBF CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587645211 ZOVSJMVRWVDPET-UHFFFAOYSA-N 407.209 4.796 5 1 HJBF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587746126 JGGZLSITDDNCRX-JEOXALJRSA-N 423.282 4.693 5 1 HJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587159599 UEDNCYZLFCHKOO-UHFFFAOYSA-N 405.691 4.741 5 1 HJBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1[N+](=O)[O-])CC2=O 587457331 GQZUGZHPSUAJCI-IBGZPJMESA-N 420.259 4.896 5 1 HJBF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)cc1[N+](=O)[O-] 587654272 QWCGOSRLSBBWGW-UHFFFAOYSA-N 413.767 4.893 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc([N+](=O)[O-])c3n2)N1 587750649 JIIRTSMQFWKWJJ-APBUJDDRSA-N 416.250 4.668 5 1 HJBF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 586979737 JXTKDSBQRTXPKH-UHFFFAOYSA-N 424.638 4.649 5 1 HJBF Cc1ccccc1C(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1 1857603172 IEVHRVLRXPPUEZ-UHFFFAOYSA-N 415.409 4.548 5 1 HJBF C[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 3941610 HXGMCPSJILOUIU-LROUJFHJSA-N 423.472 4.502 5 1 HJBF COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747959 SYQJSQGIXMMQRR-WYRIXSBYSA-N 423.282 4.611 5 1 HJBF O=C(NCc1cccc(N2CCC(Cc3ccccc3)CC2)c1)c1ccc([N+](=O)[O-])o1 28103865 BOEIGXNRFGRTHW-UHFFFAOYSA-N 419.481 4.577 5 1 HJBF O=C(COc1ccccc1)N1CCCC[C@@H]1c1ncc(-c2cccc([N+](=O)[O-])c2)s1 299858722 STIOHFGIGRIPDW-LJQANCHMSA-N 423.494 4.851 5 1 HJBF O=c1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587057388 PMUNHOFIHDMKGF-UHFFFAOYSA-N 415.236 4.655 5 1 HJBF Cc1c([N+](=O)[O-])cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1[N+](=O)[O-] 587508906 GHMYIUGDQRCPRU-QFIPXVFZSA-N 410.426 4.879 5 1 HJBF CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587646171 WEMSJYDPEAPRPK-UHFFFAOYSA-N 412.204 4.685 5 1 HJBF CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c([N+](=O)[O-])cccn12 13801046 QEIAHRWZHCQAJM-UHFFFAOYSA-N 414.893 4.754 5 1 HJBF CC[N+](C)(CC)CCCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902734 LGSWRVWDOXHDMF-UHFFFAOYSA-O 402.518 4.651 5 1 HJBF CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148309 XIZKWAWVFHODKQ-QMTMVMCOSA-N 411.506 4.571 5 1 HJBF O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 6332821 WHPAIRPZLHBOIC-UHFFFAOYSA-N 406.876 4.644 5 1 HJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587160077 FOIOGJKGZUQOFW-UHFFFAOYSA-N 420.116 4.938 5 1 HJBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587928953 FFSZVHQEMVLDGM-XIKOKIGWSA-N 402.248 4.687 5 1 HJBF Cc1ccc(C(=O)Nc2ccc(Nc3ccc([N+](=O)[O-])c4ncnc(O)c34)cc2)cc1 1857609266 LGXMGCWAZJSPGC-UHFFFAOYSA-N 415.409 4.548 5 1 HJBF CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174056 YHBLGFYCOBKQEB-UHFFFAOYSA-N 411.462 4.552 5 1 HJBF CCCS(=O)(=O)Nc1ccc(N=c2c3ccccc3n(C)c3ccccc23)cc1 377853472 BIRUVDOAISLPCF-UHFFFAOYSA-N 405.523 4.716 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)cc(F)c2[nH]1 587263440 MRJPJTUMWOYPKI-SECBINFHSA-N 407.785 4.615 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1 587753268 UVKPBZJCSCPRDW-VVVCHXIZSA-N 404.239 4.601 5 1 HJBF CC(C)c1ccc([C@@H]2[C@H]3CCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857620431 UPEWMRVTGKHBRK-PZJWPPBQSA-N 413.499 4.620 5 1 HJBF COc1cc(/C=C\c2ccc(OC)c3nc4ccccc4nc23)cc(OC)c1OC 40979424 BBEYYVHZKGKNNM-KTKRTIGZSA-N 402.450 4.988 5 1 HJBF CC[C@H]1CCCCN1c1ccc(NC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-] 169339462 DRFCLLNQJXCWEA-HNNXBMFYSA-N 403.866 4.975 5 1 HJBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1c([N+](=O)[O-])ccc(F)c1F 587623161 ZZLJOUIWIAMGHT-UHFFFAOYSA-N 407.174 4.969 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)N1 587746457 KAHDJGFEMONYED-JEOXALJRSA-N 405.267 4.684 5 1 HJBF CCN(CC)c1ccc2nc3c4cc(OCCCC(=O)O)ccc4c(=O)cc-3oc2c1 29123635 JQFPIXQCNKMBQH-UHFFFAOYSA-N 420.465 4.536 5 1 HJBF O=[N+]([O-])c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 299832404 GEZWLHYEHXHDPA-UHFFFAOYSA-N 416.521 4.785 5 1 HJBF COc1ccc(S(=O)(=O)Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586920302 HSCJGOGQCPOUQH-UHFFFAOYSA-N 402.475 4.852 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587749211 CTKDNAQMCGRKGG-HOGDKLEQSA-N 418.266 4.910 5 1 HJBF COc1ccc(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 29571300 WBZLODXOELQXEH-UZFDXKHNSA-N 406.438 4.664 5 1 HJBF O=[N+]([O-])c1ccc2nc([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)ccc2c1 962723008 ZNYZFHLGCTUDCV-AOMKIAJQSA-N 409.486 4.735 5 1 HJBF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587926989 MVLMIEVOUSKGSX-NSHDSACASA-N 420.263 4.793 5 1 HJBF O=[N+]([O-])c1ccc(NCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F 1772657317 JCKHKBBUDPZMOB-UHFFFAOYSA-N 407.436 4.980 5 1 HJBF CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CCCC1)O2 39318376 QXGCHAQBPURXSU-UHFFFAOYSA-N 400.324 4.828 5 1 HJBF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587166813 AFRMAMGCOFNAOW-OAHLLOKOSA-N 403.801 4.633 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])N1 587753668 WGTUIEGBKSVSIG-MLCYQJTMSA-N 416.250 4.668 5 1 HJBF CCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587748049 RYYUUOFTWFOFQF-XTZNXHDOSA-N 409.255 4.519 5 1 HJBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)O2 587389173 JLYFRNFGLCSASP-XMMPIXPASA-N 418.449 4.945 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)N1 587751233 LLOIQQDVFDIWNF-GIGQVBGESA-N 416.250 4.668 5 1 HJBF COc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C(F)(F)F)c1 587095635 NWNVZKZCCBASFT-UHFFFAOYSA-N 416.153 4.928 5 1 HJBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccc(C(F)(F)F)c1 587646377 QRBXRUVKXUJPJJ-UHFFFAOYSA-N 406.316 4.503 5 1 HJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263034 JKJRIMDTTIXGDM-VHDGCEQUSA-N 420.494 4.500 5 1 HJBF Cn1ccc2ccc3c4[nH]c5c(Br)cccc5c4c4c(c3c21)C(=O)NC4=O 13535001 MQOOZZCHLQMIIG-UHFFFAOYSA-N 418.250 4.612 5 1 HJBF COc1cc2oc3cc4c(c(O)c3c(=O)c2c2c1OC(C)(C)CC2)C=CC(C)(C)O4 14766828 KPEKAHVOTOEHJF-UHFFFAOYSA-N 408.450 4.948 5 1 HJBF endogenous,in-man CN1CCC(Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 95582551 VGNSPGMDONFVMI-UHFFFAOYSA-N 424.284 4.627 5 1 HJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)c3ccc([N+](=O)[O-])cc32)N1 587749236 CYBBQCPOAMKFLW-PRWKNARSSA-N 419.294 4.956 5 1 HJBF O=C(O)c1nc2ccc(I)cc2c2[nH]c3ccc(Cl)cc3c12 473108566 NNDIINYNYQTYFO-UHFFFAOYSA-N 422.609 4.826 5 1 HJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Cl)c(C)c2[nH]1 587266151 YSVYXSXGUUGMSO-LLVKDONJSA-N 403.822 4.784 5 1 HJBF C[C@@]1(c2cc([N+](=O)[O-])ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327980 AAPVIXLCDMPARG-UNMCSNQZSA-N 411.360 4.853 5 1 HJBF Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576383 ODWZXLMTCSJMFC-OFNKIYASSA-N 416.389 4.793 5 1 HJBF O=[N+]([O-])c1cc(Br)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1F 963093369 BMVQLMPCJKRUAU-SGTLLEGYSA-N 409.230 4.745 5 1 HJBF O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1 103236563 HAUNEHBVLMBYDG-DENIHFKCSA-N 419.824 4.614 5 1 HJBF COc1c([N+](=O)[O-])ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F 587505623 MEXIUJIFPSTXNO-KRWDZBQOSA-N 419.380 4.790 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc2cccnc12 587573339 BFOMZZMSOWLTQF-XXBNENTESA-N 414.373 4.552 5 1 HJBF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3[N+](=O)[O-])cc1)CC2 1857765704 UZKRAZSCEWAHFA-UHFFFAOYSA-N 420.465 4.543 5 1 HJBF O=[N+]([O-])c1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269559 HJHAKSODAODVOI-UHFFFAOYSA-N 411.465 4.532 5 1 HJBF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1cccc([N+](=O)[O-])c1 64479738 VSLYMXYRVKDUCB-HXUWFJFHSA-N 412.405 4.728 5 1 HJBF Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc12 103248562 RVXJKDQROPYYOF-UHFFFAOYSA-N 407.411 4.965 5 1 HJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc([N+](=O)[O-])cc2Cl)N1 587692909 IFKMFGFDBOKFTM-XLFHBGCDSA-N 413.674 4.948 5 1 HJBF COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)n1 59240269 WEHHLXNTZZGCMM-ZDUSSCGKSA-N 412.421 4.838 5 1 HJBF CCC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C 584904636 FGMGIQHLZVOAHB-UHFFFAOYSA-N 423.476 4.586 5 1 HJBF in-vitro CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccccc1 40766642 WDVQDWKWWICBGM-OAQYLSRUSA-N 421.453 4.626 5 1 HJBF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cc([N+](=O)[O-])ccc1SC 100051764 YZMARTUHSZYWMA-BDBAMQCISA-N 420.487 4.518 5 1 HJBF Cc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1F 587053207 CUOPNHKYTODRPF-KRWDZBQOSA-N 404.829 4.699 5 1 HJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)c(F)cc2[nH]1 587109877 PERYCFUJKMCDHL-UHFFFAOYSA-N 418.144 4.982 5 1 HJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 587866149 VPQDBVFSACJHGG-UHFFFAOYSA-N 422.319 4.773 5 1 HJBF COc1ccc2c(c1OC)[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(C1CC1)N(C)[C@@H](C)C2 962561633 DMFIXOHCLYFKNU-WHEQGISXSA-N 416.905 4.795 5 1 HJBF Cc1sc2c(c1C)CCN[C@]2(C[C@@H]1CCC[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 963033004 WFQSELCNRFHLIJ-VQPPSCEASA-N 414.527 4.553 5 1 HJBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CC(F)(F)F 5939928 CHJLYYQUCNXGJR-UHFFFAOYSA-N 407.351 4.875 5 1 HJBF Cc1ccc(-c2cc(Cc3ccco3)c3c(ncn4c(=O)c5ccccc5nc34)n2)cc1 45352861 UEEGZGQTPVRBQM-UHFFFAOYSA-N 418.456 4.950 5 1 HJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c([N+](=O)[O-])cccc2cn1 587576911 QEUARVZBDMPXON-NFBKMPQASA-N 414.373 4.552 5 1 HJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncccc3c2[N+](=O)[O-])N1 587752271 QJFOMWRXVIDDPX-MGNBDDOMSA-N 416.250 4.668 5 1 HJBF O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nc2ccccc2s1 1772584038 DTSAHPSUIGGWDD-UXHICEINSA-N 417.446 4.740 5 1 HJBF