smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 2124713 UJDSEJILDSRYGR-UHFFFAOYSA-N 493.541 4.905 5 50 JJBA O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(I)cc1 1174935 GFJCJTRUNZPXSI-IBGZPJMESA-N 471.254 4.971 5 50 JJBA COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 2985356 RBCORYJCKZWPPN-UHFFFAOYSA-N 462.487 4.847 5 50 JJBA CC1(C)CC(=O)[C@@]23O[C@@]2(C1)C[C@@]1(C)CC(C)(C)C[C@]3(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 229939718 SBUQBCVVCLTAGI-QORCZRPOSA-N 486.521 4.916 5 50 JJBA Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 2601657 YFYGGAGHVDBADR-UHFFFAOYSA-N 468.963 4.678 5 50 JJBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCN2C(=O)c3ccccc3C2=O)cc1Cl 16294420 NNCADQHUKGBJFL-UHFFFAOYSA-N 478.892 4.517 5 50 JJBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc(-c2nc3ccccc3c(=O)o2)c1 1202049 FYNFTOZKESMKCS-UHFFFAOYSA-N 463.405 4.717 5 50 JJBA COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2861814 HTQWEBLCTHTWGG-JOCHJYFZSA-N 460.417 4.594 5 50 JJBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)Nc1cccc(C)c1C 1060533 PMEPPZPDVURBHC-UHFFFAOYSA-N 453.520 4.882 5 50 JJBA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1 245245209 BZPAHXGGPZOEPF-DNVJHFABSA-N 477.904 4.916 5 50 JJBA O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 2029752 QAEOZODSOBPZLX-UHFFFAOYSA-N 477.904 4.971 5 50 JJBA O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 16426308 JECFLQJTKIJGOM-UHFFFAOYSA-N 480.329 4.736 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(C(F)(F)F)c1 137919084 AWEMUSNXCYCNEW-PCCBWWKXSA-N 483.402 4.665 5 50 JJBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 4091588 NJOHEVWJFZNQEG-UHFFFAOYSA-N 460.309 4.646 5 50 JJBA Cc1ccc(/C=C2\CN(S(=O)(=O)c3ccc(C)cc3)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c32)cc1 12447468 VQQJCZRQGDKTQQ-WOJGMQOQSA-N 465.487 4.869 5 50 JJBA O=c1c(-c2ccc(Oc3ccccc3)cc2)[n+]([O-])c2ccccc2n1OCc1ccccc1[N+](=O)[O-] 2846157 IBLLQZCMDPITPV-UHFFFAOYSA-N 481.464 4.631 5 50 JJBA CCOC(=O)c1c(NC(=O)[C@H](CC)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 3667190 AVRCPIMJGDXWRP-BJRSVTDJSA-N 486.546 4.686 5 50 JJBA O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 55202078 RHLBZXMMPSGVBP-UHFFFAOYSA-N 450.926 4.823 5 50 JJBA CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nn12 9720816 IVJPYUAOCPTNSS-UHFFFAOYSA-N 477.550 4.566 5 50 JJBA COc1ccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1170231 LSUJAPPFCNNNAL-JRWCXLMHSA-N 474.513 4.808 5 50 JJBA O=C(O)c1cccc(Nc2cc(N3CCN(c4ccccc4Cl)CC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 9211019 ZUWLORWGEACNFF-UHFFFAOYSA-N 497.895 4.925 5 50 JJBA COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 13946301 RDSICSMQMCGTIJ-UHFFFAOYSA-N 466.519 4.770 5 50 JJBA COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cc2ccccc2o1 1170486 XAHWHCANGUPDMX-UHFFFAOYSA-N 461.430 4.619 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(OC)cc2)c1C 2757764 ADKJCEKPPAFWGE-UHFFFAOYSA-N 497.529 4.963 5 50 JJBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 6144216 TVLIIDJNJNWJCM-UHFFFAOYSA-N 458.323 4.582 5 50 JJBA O=c1[nH]c(O)nc(/C=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1[N+](=O)[O-] 13943431 LKWZFLQEKYHXCO-FNORWQNLSA-N 478.686 4.549 5 50 JJBA Cc1ccc([C@H](C(=O)N(C)C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C2CC2)cc1 1875338341 UMOISOWNAOMGTD-VGSWGCGISA-N 456.974 4.820 5 50 JJBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1 1189049 OLFIPDVVCXPUOT-UHFFFAOYSA-N 473.920 4.821 5 50 JJBA COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1 1205825 RUDJRPPDXWMORR-VWLOTQADSA-N 469.501 4.928 5 50 JJBA aggregator O=C1[C@H]2[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1C(F)(F)F 229948056 PGIJGILKOFWSEC-PWRODBHTSA-N 483.402 4.665 5 50 JJBA O=C(NCc1ccco1)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccccc1 9019186 VSCWHVJTVNICKX-QNGOZBTKSA-N 457.442 4.535 5 50 JJBA Cc1ccc(S(=O)(=O)n2cc(Cc3cccs3)c3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)cc1 12461884 OXCMWQKEZPGEGY-UHFFFAOYSA-N 457.489 4.655 5 50 JJBA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4scnc4C)CCC[C@H]3[C@H]2c2scnc2C)n1 8455391 YFKAGNWIGBBXNK-QOMGALSMSA-N 497.606 4.778 5 50 JJBA C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 16670992 UHJXARPPPLENDZ-PJEHFJQTSA-N 478.504 4.920 5 50 JJBA CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 245246854 PTRLPRDADMWKPV-DNVJHFABSA-N 493.903 4.698 5 50 JJBA O=C(COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 1110587 LWHRTVMISIYKAI-UHFFFAOYSA-N 455.264 4.871 5 50 JJBA O=C(Nc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1)c1ccc(Br)o1 1162613 YYELOENJKHDPFO-UHFFFAOYSA-N 455.224 4.920 5 50 JJBA O=C(NCCc1ccccc1)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 2829905 BAPMHEZBOFSOJU-PLRJNAJWSA-N 481.508 4.985 5 50 JJBA O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 9139278 BJUJUPJIHMJXSA-UHFFFAOYSA-N 466.906 4.678 5 50 JJBA O=C(COC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)c1ccc(Cl)c(Cl)c1 1164521 CNRNVLKUDBWIQP-UHFFFAOYSA-N 499.262 4.742 5 50 JJBA Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 1156162 UAOVSWMGHIBPNA-UHFFFAOYSA-N 480.937 4.726 5 50 JJBA Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1131131 RWVKJMIFVHFJCG-UHFFFAOYSA-N 455.488 4.603 5 50 JJBA CSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)N(C(C)=O)c1ccccc1-2 1184933 FGHIXTCQUPZQLL-QFIPXVFZSA-N 475.486 4.873 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1Cl 3878101 PWFSYTKCMSJTQO-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA O=C(OCc1ccc(Br)cc1)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1136201 PKDCWMKKDNVHCT-UHFFFAOYSA-N 481.258 4.515 5 50 JJBA COc1ccc(/C=C(\NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)NCCc2c(C)[nH]c3ccccc23)cc1 3619519 KTRSHKSXKBOTSG-QQXSKIMKSA-N 498.539 4.523 5 50 JJBA CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(OC(=O)COc2ccccc2)ccc2ccccc12 2873281 LMVFHQZKOSEKAA-MHZLTWQESA-N 470.481 4.958 5 50 JJBA Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 9203198 DGTPAXYVXCEAGM-UHFFFAOYSA-N 472.803 4.720 5 50 JJBA O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 18194891 XVFKIYZHJICGQD-UHFFFAOYSA-N 466.020 4.740 5 50 JJBA O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1145664 NIKIKEGVNGUOEN-UHFFFAOYSA-N 452.275 4.994 5 50 JJBA CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccccc2)N=C1C 248056408 UPLCSJYZDURRJX-LNWKWYTESA-N 481.512 4.756 5 50 JJBA O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 16447491 LIBVIETZNHLNSW-UHFFFAOYSA-N 467.576 4.835 5 50 JJBA O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 3878204 WPBCXKSZBWXYAE-AWEZNQCLSA-N 467.534 4.896 5 50 JJBA CC(=O)c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2Cl)cc1 12380119 HLKSLHCNJBPUIC-HYARGMPZSA-N 463.877 4.860 5 50 JJBA O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 16267193 ZXKZYHXXQXUFCX-UHFFFAOYSA-N 459.502 4.665 5 50 JJBA O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 230023179 RLNBELBECOHQEU-KWNHSTDBSA-N 489.528 4.553 5 50 JJBA CCCCSc1nnc2c(n1)O[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)Nc1ccccc1-2 2920333 QYOFCPIURQNXCE-LJQANCHMSA-N 453.480 4.571 5 50 JJBA Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc([N+](=O)[O-])cc3)c3cc(Cl)ccc32)cc1 2884689 VIQFOMQWIREQCF-DEOSSOPVSA-N 450.878 4.564 5 50 JJBA CN([C@@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1875306526 JGDIQHKQFOPGNU-FQEVSTJZSA-N 461.337 4.767 5 50 JJBA CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 9260681 KGCCZDLCVYWKTI-KGENOOAVSA-N 459.458 4.670 5 50 JJBA Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 16425142 WCKSITIBAPHEOC-UHFFFAOYSA-N 494.935 4.898 5 50 JJBA O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 3000358 WWCCJPDJQSJYMZ-UHFFFAOYSA-N 477.904 4.971 5 50 JJBA COCc1cc(C)nc2sc([C@H](O)c3ccccc3)c(NC(=O)c3ccccc3[N+](=O)[O-])c12 12445370 XDXIIFLTAYCHPD-OAQYLSRUSA-N 463.515 4.993 5 50 JJBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccc(-c2ccccc2)cc1Br 938605 HASCQNAJXAELSU-UHFFFAOYSA-N 495.285 4.616 5 50 JJBA CCCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 2325899706 RWJZXYLOOLCQEX-UHFFFAOYSA-N 454.508 4.992 5 50 JJBA COc1ccc(-c2c(Cc3ccccc3)nn3c(=O)cc(-c4ccc([N+](=O)[O-])cc4)[nH]c23)cc1 100527019 WNUWOKDTPXBDST-UHFFFAOYSA-N 452.470 4.864 5 50 JJBA Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1 2941583 CFKNJHKLCIPVFD-UHFFFAOYSA-N 454.327 4.590 5 50 JJBA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 6812415 UTQHTPSDPWVJCR-UDWIEESQSA-N 463.471 4.838 5 50 JJBA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)c2ccccc2)cc1 634554 URCOFOLSAFPXDT-AREMUKBSSA-N 499.544 4.880 5 50 JJBA O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 13946311 XJHYYPWWRHHPKZ-UHFFFAOYSA-N 467.595 4.702 5 50 JJBA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 1156385 MOLYNRIOGZVUOZ-QGZVFWFLSA-N 451.335 4.642 5 50 JJBA CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)cc2)cc1 2853938 KVLCNVZNZRSNMT-UHFFFAOYSA-N 485.587 4.768 5 50 JJBA COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N2CCCCC2)cc1 8738818 HGNJNWVFPDTBRL-XLNRJJMWSA-N 475.501 4.647 5 50 JJBA O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc2ccccc12 200478672 RKRXFPUFHNLTPZ-ISJGIBHGSA-N 465.465 4.799 5 50 JJBA COC(=O)c1ccccc1NC(=O)CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2918917 FYTBGXZOYMJEHM-UHFFFAOYSA-N 465.418 4.653 5 50 JJBA Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(C)C[C@H]3c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875334200 DBGZBPWFAGULRW-VWLOTQADSA-N 480.590 4.506 5 50 JJBA Cc1nn(CC(=O)Nc2cc(Oc3cccc(C(F)(F)F)c3)cc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 2306551 HZNIMPKEZQMOAI-UHFFFAOYSA-N 479.371 4.766 5 50 JJBA O=C(Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Br 2821676 DQXOSEFRTNLUMP-UHFFFAOYSA-N 451.327 4.753 5 50 JJBA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 225930605 QKCDBPJBTQIQFW-QYOFDKIESA-N 490.941 4.546 5 50 JJBA CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 12860444 SOTMZPMUCOBNFX-UHFFFAOYSA-N 471.989 4.633 5 50 JJBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(Sc3ccccn3)c2)CC1 9720325 PORDNHZUDFUCLX-UHFFFAOYSA-N 454.939 4.757 5 50 JJBA CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-] 9971769 POBBGSFTNUJYDC-UHFFFAOYSA-N 475.387 4.778 5 50 JJBA Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccccc1 3620697 OBTZESGEMLGIPD-UHFFFAOYSA-N 454.504 4.817 5 50 JJBA CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)sc2c1CCCC2 8856814 KZBJECUMTUFBKR-UHFFFAOYSA-N 457.552 4.954 5 50 JJBA Cn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1128378 YXFWYRXRVUODQP-UHFFFAOYSA-N 482.747 4.537 5 50 JJBA Cc1c(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cccc1[N+](=O)[O-] 2881483 IMHXJAQGJPSHRR-UHFFFAOYSA-N 452.458 4.649 5 50 JJBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc2cc(Br)ccc2oc1=O 950479 DXSDNPYZEJMMNO-UHFFFAOYSA-N 472.276 4.840 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1[N+](=O)[O-] 2978447 YHRDKYIPNPDPDZ-UHFFFAOYSA-N 462.487 4.847 5 50 JJBA COCCn1c(-c2cc(Cl)c(N)c([N+](=O)[O-])c2)nnc1N(C)Cc1csc2ccccc12 1875333146 DPDFSVIQVHCHJJ-UHFFFAOYSA-N 472.958 4.586 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)c(Cl)c1 226983863 FPWJGVZMUJRDLG-PCCBWWKXSA-N 484.295 4.953 5 50 JJBA CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1c1ccc(Br)cc1 1151248 SRSCTHCIRDFJFB-PGRDOPGGSA-N 474.307 4.830 5 50 JJBA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8904614 AQQWWJGIINFRIA-UHFFFAOYSA-N 463.334 4.721 5 50 JJBA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1 1156384 MOLYNRIOGZVUOZ-KRWDZBQOSA-N 451.335 4.642 5 50 JJBA Cc1cc2nc3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5Cl)o4)c(=O)n3c2cc1C 2917073 MVILNFMYJBEICJ-JMIUGGIZSA-N 451.891 4.895 5 50 JJBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1 8744294 MRSPMZVWICCNMA-LJQANCHMSA-N 460.534 4.739 5 50 JJBA Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)c2ccccc2)cc1 634551 URCOFOLSAFPXDT-SANMLTNESA-N 499.544 4.880 5 50 JJBA CCOC(=O)c1oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2c(=O)c1-c1ccc(OC)cc1 1463715 CTYJOVGGEWFFHA-UHFFFAOYSA-N 489.436 4.773 5 50 JJBA biogenic COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc(C(=O)Nc2ccccc2C)c1C 2101676 KIBMTGPUJSWHFW-UHFFFAOYSA-N 467.503 4.873 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCN3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 101733609 NFAOETNYAYCGSP-GDIGMMSISA-N 498.967 4.642 5 50 JJBA COc1cc2c(cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 2863052 MFYCAHVUOGJZAG-UHFFFAOYSA-N 497.529 4.542 5 50 JJBA CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 20214677 UQUNKHCLXLHUIZ-MSOLQXFVSA-N 457.943 4.862 5 50 JJBA Cc1nn(Cc2c(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)noc2C)c(C)c1[N+](=O)[O-] 13961363 QDKZXPUUNJLSIB-UHFFFAOYSA-N 493.907 4.890 5 50 JJBA Cc1cc(C)cc(Oc2cc(NC(=O)c3c(I)cnn3C)cc([N+](=O)[O-])c2)c1 653347 CCXJFKDAVYCUIQ-UHFFFAOYSA-N 492.273 4.594 5 50 JJBA O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 16426766 MVWFCXQMPJESID-UHFFFAOYSA-N 462.897 4.835 5 50 JJBA O=C(Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccc(Cl)cc1 15767536 YTBUMDQIJSKQDY-UHFFFAOYSA-N 467.286 4.922 5 50 JJBA COc1ccc2[nH]cc([C@H](C)CNC(=O)N(C)Cc3nc(C)c(-c4cccc([N+](=O)[O-])c4)[nH]3)c2c1 1875350739 YUXZLUUWCDHKKL-OAHLLOKOSA-N 476.537 4.728 5 50 JJBA Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1O 3620702 SKDLEURRFWFESY-UHFFFAOYSA-N 454.504 4.817 5 50 JJBA COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCCOc1ccc([N+](=O)[O-])cc1 22238515 MIMXJLFYELMWDX-UHFFFAOYSA-N 493.541 4.905 5 50 JJBA O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 9601749 BWSLPNVBHRSIBA-UHFFFAOYSA-N 492.679 4.992 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)oc2c1CCCC2 22215396 KYVLVMSOHLBAED-UHFFFAOYSA-N 454.435 4.764 5 50 JJBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O 1135865 XSBNVBPRXTXJGG-UHFFFAOYSA-N 470.359 4.771 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1[N+](=O)[O-] 2064397 JFSGYWIDANRURH-UHFFFAOYSA-N 462.487 4.847 5 50 JJBA CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 16319799 RBLKKCJTNZPCFH-UHFFFAOYSA-N 454.914 4.902 5 50 JJBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 20214569 DSEUHMJJNUCEEO-QZTJIDSGSA-N 457.943 4.862 5 50 JJBA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1 9271755 YTXIGRAWLJNIIJ-UHFFFAOYSA-N 473.577 4.862 5 50 JJBA COCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c12 12445364 HDPUNCKABGPTOQ-NRFANRHFSA-N 463.515 4.993 5 50 JJBA CCc1c(C)sc2ncn3nc(-c4cccc(Cn5cc(Br)c([N+](=O)[O-])n5)c4)nc3c12 2809019 ADFOTQLQFKIMJG-UHFFFAOYSA-N 498.366 4.792 5 50 JJBA CCOC(=O)c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2Cl)c1 22184645 FHOSABJBTOOYSW-HYARGMPZSA-N 493.903 4.835 5 50 JJBA CC(C)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 2997981 HABPJQAQLHFPFZ-UHFFFAOYSA-N 457.537 4.553 5 50 JJBA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(OC)cc([N+](=O)[O-])c4)c3n2)cc1 1005616 XLCOVBLDGZVFBO-UHFFFAOYSA-N 469.404 4.512 5 50 JJBA Cc1ccc([C@@H](C(=O)N(C)C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C2CC2)cc1 1875338338 UMOISOWNAOMGTD-HTAPYJJXSA-N 456.974 4.820 5 50 JJBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2Cl)cc1 1119336 FJYKKJZPMGYJPD-UHFFFAOYSA-N 473.938 4.699 5 50 JJBA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1[N+](=O)[O-] 1150282 ROOMZXXSLNECLO-NDEPHWFRSA-N 482.492 4.764 5 50 JJBA CCOC(=O)c1cc(S(=O)(=O)Oc2cccc(Oc3ccccc3)c2)cc([N+](=O)[O-])c1C 1462713656 FXTSHEYEVMJRGV-UHFFFAOYSA-N 457.460 4.640 5 50 JJBA CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 1183404 BILQTHPWBPVUDI-YVLHZVERSA-N 463.309 4.993 5 50 JJBA CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1 9891983 UOMQONIBWLIZAT-UHFFFAOYSA-N 470.573 4.682 5 50 JJBA Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)c(C)c1 16319707 VUFPAHWEZAJSQL-UHFFFAOYSA-N 481.574 4.658 5 50 JJBA Cc1oc(C)c2c(=O)cc(-c3ccc4c(c3)OCO4)cc(OC(=O)c3cccc([N+](=O)[O-])c3)c12 16448196 RMWFFROMPNTWAZ-UHFFFAOYSA-N 459.410 4.933 5 50 JJBA CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 8854788 AKWVYSQQUQMMCZ-UHFFFAOYSA-N 481.427 4.525 5 50 JJBA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 12381400 GOTMKWFIXPOEEL-OAHLLOKOSA-N 470.595 4.759 5 50 JJBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2ccccc2)c(Cl)cc1Cl 16115348 QJZGZWCTQRJSAV-UHFFFAOYSA-N 466.302 4.955 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc2ccccc12 200476243 RKRXFPUFHNLTPZ-CCDWMCETSA-N 465.465 4.799 5 50 JJBA Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 2818698 NSKXVJIECFNAOM-OAQYLSRUSA-N 464.449 4.522 5 50 JJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2cccc(F)c2)c1 1197042 HOKPNTCLVDXTNN-UHFFFAOYSA-N 494.298 4.550 5 50 JJBA O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 15723972 DOFUBEYAXRRJQS-UHFFFAOYSA-N 482.890 4.618 5 50 JJBA Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1[N+](=O)[O-] 1172206 QFEJINITMRNDKM-UHFFFAOYSA-N 468.922 4.936 5 50 JJBA aggregator O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1cccc(/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O)c1 71785259 GVPWNMIBAOVWOU-AXPXABNXSA-N 460.398 4.753 5 50 JJBA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 9489276 PNXSAEIWSQAUSD-ZOVQAKDCSA-N 454.482 4.564 5 50 JJBA Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccc(I)cc3c2=O)cc1 15856322 OGCFEFKRSOPATF-JXMROGBWSA-N 499.264 4.970 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 1122526 VFLADSVBHQIHSY-UHFFFAOYSA-N 459.502 4.842 5 50 JJBA CCCCOc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N2CCCCC2)cc1 22258740 FBQDBKNPLQXNPX-PTGBLXJZSA-N 451.523 4.557 5 50 JJBA CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(CCn5nc([N+](=O)[O-])cc5C)nc4c23)C1 2799848 DQAPZDDUSUYESJ-AWEZNQCLSA-N 453.572 4.536 5 50 JJBA COc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)cc1[N+](=O)[O-] 2863277 UCBRVRPPRVTTLX-JOCHJYFZSA-N 476.514 4.989 5 50 JJBA O=C(Nc1cc(O)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 825572 RPSNTHSQPUSQAN-UHFFFAOYSA-N 477.786 4.935 5 50 JJBA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)c(C)c1 1072060 IBQFYUQQJBYXEQ-UHFFFAOYSA-N 497.573 4.671 5 50 JJBA aggregator CCCCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 2854913 TYUKPRLTCZYOBZ-UHFFFAOYSA-N 467.547 4.771 5 50 JJBA CCc1cccc(C)c1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 14186194 FFAIPOBTGZWMJJ-UHFFFAOYSA-N 497.573 4.617 5 50 JJBA O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272945 NXKODPSKBWJMAV-UHFFFAOYSA-N 465.893 4.568 5 50 JJBA O=C1CSC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 3940911 VQEHBLGYANQWEA-OAQYLSRUSA-N 463.515 4.732 5 50 JJBA in-vitro CCOC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)sc(C(=O)N(C)C)c1C 20168103 JVXPELMFJIPCOO-UHFFFAOYSA-N 477.542 4.566 5 50 JJBA Cc1[nH]c2ccccc2c1CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 3619381 PRQTVSDALCMFSF-XYGWBWBKSA-N 468.513 4.514 5 50 JJBA CCCCN(CCCC)C(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 95682001 MBUGCKSCKCGOOC-UHFFFAOYSA-N 470.438 4.665 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br 22238468 CZEMPDPFZGDKBG-XSFVSMFZSA-N 466.291 4.767 5 50 JJBA CCCCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)Nc1ccccc1-2 2920335 QYOFCPIURQNXCE-IBGZPJMESA-N 453.480 4.571 5 50 JJBA CC(C)OC(=O)c1c(C(=O)OC(C)C)c2c3ccccc3cnn2c1C(=O)c1cccc([N+](=O)[O-])c1 4543073 FTBLUZMKVJOLPF-UHFFFAOYSA-N 489.484 4.757 5 50 JJBA Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C(=O)OC(C)C 2083664 TVEPPZUIGWTCCO-MDZDMXLPSA-N 460.508 4.747 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1c(Cl)cccc1Cl 226975694 ZZGDUMSFNPCPEV-IRFCIJBXSA-N 484.295 4.953 5 50 JJBA O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 230097762 IQEGCBKLGKPGQO-ONJIFJTESA-N 489.528 4.553 5 50 JJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 2257607 KLFVZBRJHYNVSL-DHZHZOJOSA-N 460.471 4.635 5 50 JJBA O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N1CCN(c2ccccc2)CC1 8935178 KSJGWKSYCDIYGE-UHFFFAOYSA-N 476.489 4.577 5 50 JJBA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 12371417 ZMXBIFUAXORWTR-JAIQZWGSSA-N 497.460 4.678 5 50 JJBA CC1(C)C(=O)[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1c1ccc(Br)cc1 1151249 SRSCTHCIRDFJFB-AVRDEDQJSA-N 474.307 4.830 5 50 JJBA C[C@@H](CCc1ccccc1)Nc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 8781215 MONNMTHQEWTYCC-NRFANRHFSA-N 494.617 4.539 5 50 JJBA O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 3096271 SQDHVHXSRZMCTQ-CQSZACIVSA-N 467.534 4.896 5 50 JJBA O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 8816328 NRAGXPLMNXDOHT-UHFFFAOYSA-N 450.926 4.823 5 50 JJBA COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 16193061 CVISUUUBYCQBIY-UHFFFAOYSA-N 478.457 4.541 5 50 JJBA CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl 19800034 MKYASRNQBRZPFV-ZDUSSCGKSA-N 476.213 4.927 5 50 JJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 1196026 FOGCXFKJRMLFDU-UHFFFAOYSA-N 466.302 4.955 5 50 JJBA CCOc1cc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(OCC)c1OCC 1173300 CPAUOFMIXJMROV-UHFFFAOYSA-N 467.931 4.571 5 50 JJBA CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)OC(C)C)c1C 1200067 VKEMYFTZDZVOFW-UHFFFAOYSA-N 481.958 4.918 5 50 JJBA O=C1[C@H]2[C@@H](c3cc([N+](=O)[O-])ccc3Cl)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 229891273 VFYBMGMVZNNLCW-PWRODBHTSA-N 484.295 4.953 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(Cl)cc2Cl)C(=O)N1c1ccc([N+](=O)[O-])cc1 137792215 FBYSAYMXYXOGMA-PCCBWWKXSA-N 484.295 4.953 5 50 JJBA Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 16286011 OLLOEHJLVCNBNV-UHFFFAOYSA-N 457.600 4.976 5 50 JJBA O=C(OCc1nc2ccccc2c2ccccc12)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 726204669 KTNCCWHXANLZKX-LJQANCHMSA-N 464.525 4.860 5 50 JJBA O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 9186573 OECCYOBUVMEIKX-XBXARRHUSA-N 457.317 4.812 5 50 JJBA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 12372260 INKFKGQOLPPSKY-HNNXBMFYSA-N 464.261 4.811 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1[N+](=O)[O-] 2064406 KNZDEJIYLJCJMG-UHFFFAOYSA-N 466.450 4.678 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccccc2)c1C 2188959 JXESQFAJFXPFCR-UHFFFAOYSA-N 453.476 4.646 5 50 JJBA CCCc1oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2c1C(=O)OCC 4144362 RJVUZSNREINYGU-UHFFFAOYSA-N 466.899 4.924 5 50 JJBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CN(c3ccc4ccccc4c3)c3nc4ccccc4nc32)c1 12524283 RELUQOFVQCRUDB-UHFFFAOYSA-N 483.509 4.996 5 50 JJBA O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1[N+](=O)[O-] 14270556 CQCQLHPHDSYHOJ-UHFFFAOYSA-N 451.895 4.918 5 50 JJBA COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2Br)cc1 16115291 YRZKEXGVZWIGLX-KGENOOAVSA-N 496.317 4.776 5 50 JJBA Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 20427661 KLDRZNQHEUZODI-UHFFFAOYSA-N 482.747 4.537 5 50 JJBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccc(O)cc1 95682009 SOSXUXAEPKVUBO-UHFFFAOYSA-N 450.319 4.594 5 50 JJBA O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1170810 QFIBPWHAZFRDRM-QFIPXVFZSA-N 474.498 4.663 5 50 JJBA COc1ccc(Oc2cc(NC(=O)c3cccc(Cn4cc([N+](=O)[O-])cn4)c3)cc([N+](=O)[O-])c2)cc1 2735541 OIAVLYFZLIGDOS-UHFFFAOYSA-N 489.444 4.801 5 50 JJBA CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1OC(F)F 20214486 DDVOTMDADBOOAQ-UHFFFAOYSA-N 483.884 4.859 5 50 JJBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Br)cc3Cl)CC2)cc1 16345820 WINAMTLIRAPKJJ-UHFFFAOYSA-N 455.765 4.530 5 50 JJBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 20214580 DSEUHMJJNUCEEO-ROUUACIJSA-N 457.943 4.862 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Cl 19799811 ZWOOQPTVWYKIGM-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc([N+](=O)[O-])c1 2993130 MWFVAEGVYQTXFW-MHZLTWQESA-N 452.466 4.755 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 4427080 ADRPRPFGMVYQEB-UHFFFAOYSA-N 462.775 4.624 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)S(C)(=O)=O 2845074 QICPHPXVOIQWAB-UHFFFAOYSA-N 485.587 4.600 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)c1ccccc1 4583677 WNLKBSMEKJOAIP-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCc3ccc(Cl)cc3)cc2C1=O 16247722 FOUYMGWZYAFEOD-UHFFFAOYSA-N 450.834 4.714 5 50 JJBA O=C(/C=C/c1ccccc1F)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 20494447 BEPAXBRZUKSDIU-VMPITWQZSA-N 473.913 4.600 5 50 JJBA C[C@H](OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1cccc(Cl)c1 1112647 QRWNWXACTXMNID-AWEZNQCLSA-N 452.850 4.929 5 50 JJBA O=C(Nc1ccc(I)cc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2881458 OQJQMFSOJXTHAE-UHFFFAOYSA-N 452.179 4.851 5 50 JJBA Cc1oc(-c2ccccc2)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 8855060 AZRLJPIELYHHQU-UHFFFAOYSA-N 460.534 4.726 5 50 JJBA CC[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746325 JLRFEZARFNWPLA-HNNXBMFYSA-N 479.547 4.544 5 50 JJBA O=C(N1CCN(c2cc(N3CCCCCC3)c(F)cc2[N+](=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 16399348 LQENFZYMWDAZCT-UHFFFAOYSA-N 484.616 4.979 5 50 JJBA Cc1cc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C[C@@H]2CCCO2)cs1 20352937 GCBSDZPUNPFGMD-HNNXBMFYSA-N 493.998 4.786 5 50 JJBA O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 8385470 GGZKBKJIDZPPSS-UHFFFAOYSA-N 468.916 4.962 5 50 JJBA COc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)cc1OC 8431421 MFKPLIUICSSENH-UHFFFAOYSA-N 498.539 4.790 5 50 JJBA O=c1[nH]c(/C=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)nc(O)c1[N+](=O)[O-] 16361767 VACKMYIHWDTYBD-VURMDHGXSA-N 478.686 4.549 5 50 JJBA CCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 9295924 CFYNABZGCJCYLZ-YVLHZVERSA-N 463.309 4.993 5 50 JJBA C[C@@H](C(=O)OCc1ccccc1Cl)n1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 951891 VBPFEGUNMGBOGS-ZDUSSCGKSA-N 469.906 4.991 5 50 JJBA O=C(c1ccccn1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 250247415 NFVPIUHZQRUORL-KWNHSTDBSA-N 488.931 4.552 5 50 JJBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 20214573 DSEUHMJJNUCEEO-MSOLQXFVSA-N 457.943 4.862 5 50 JJBA O=C(c1ccccc1)c1ccc(N2CCOCC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 2849806 ABFVHFXTKNBCNO-UHFFFAOYSA-N 465.893 4.568 5 50 JJBA O=C(CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1)Nc1ccc([N+](=O)[O-])cc1 9805859 JHVSQYPZLQWQKI-UHFFFAOYSA-N 484.541 4.861 5 50 JJBA O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)Nc1ccc(F)c([N+](=O)[O-])c1 2219094 CWHAWZLHIZGHHE-UHFFFAOYSA-N 496.545 4.714 5 50 JJBA COc1ccc2c(-c3ccccc3C(=O)N3CCC(C(=O)O)CC3)c3ccc(=O)cc-3oc2c1 25781995 DELBHVBSPUGXDG-UHFFFAOYSA-N 457.482 4.510 5 50 JJBA CC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc12 1210345 GJYRBZAHABBVPA-UHFFFAOYSA-N 478.482 4.888 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 16399703 HKGKKTTYIZRNNM-RTBURBONSA-N 498.967 4.786 5 50 JJBA Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Br)cc1 1196811 COLDFXVWIPETGP-UHFFFAOYSA-N 490.335 4.719 5 50 JJBA Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1050254 FEJCMJVNVNCVIS-UHFFFAOYSA-N 451.504 4.698 5 50 JJBA COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1[N+](=O)[O-] 1150279 ROOMZXXSLNECLO-MUUNZHRXSA-N 482.492 4.764 5 50 JJBA Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCc2ccco2)cc1 32617768 HYVAEEJREBDHQA-JCMHNJIXSA-N 471.469 4.844 5 50 JJBA O=C(CCSc1ccc([N+](=O)[O-])cc1)OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1 1124824 JIAGPXXVOBWDAZ-UHFFFAOYSA-N 471.556 4.794 5 50 JJBA CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2CC)cc1 9304879 LTXFQJKSNAPNHE-HNNXBMFYSA-N 455.540 4.639 5 50 JJBA Cc1ccc([C@H](C(=O)N(C)C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C2CC2)cc1 1875338339 UMOISOWNAOMGTD-JTSKRJEESA-N 456.974 4.820 5 50 JJBA Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1 3003292 IPGGCLIQQLHICC-UHFFFAOYSA-N 457.486 4.626 5 50 JJBA CCOC(=O)c1cc(C(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc([N+](=O)[O-])c1 1466605096 YDMLALSKAVMBAM-UHFFFAOYSA-N 458.430 4.759 5 50 JJBA CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 2474623 YFDZHIJUHKGHNU-UHFFFAOYSA-N 459.505 4.708 5 50 JJBA CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4[N+](=O)[O-])N(c4ccccc4)O[C@H]3C2=O)cc1 229920868 DDQWRVUFIHYGNV-ISJGIBHGSA-N 487.512 4.825 5 50 JJBA Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1 675800 AWCGPVOPYYFRBB-UHFFFAOYSA-N 453.520 4.882 5 50 JJBA C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 1050497 TUTCJSKFPJMUCA-MRXNPFEDSA-N 488.452 4.589 5 50 JJBA O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809694 JDTDAKQNPLUAGV-UHFFFAOYSA-N 471.304 4.644 5 50 JJBA CC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(=O)COc2ccccc2)ccc2ccccc12 2873278 ORCBVQAAUZQMLB-HHHXNRCGSA-N 470.481 4.958 5 50 JJBA O=C1[C@H]2[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 229901580 FDQDELDTXWZPNF-PWRODBHTSA-N 484.295 4.953 5 50 JJBA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 239433439 XRYDYBKKKRWOKG-ZEZDXWPOSA-N 491.503 4.968 5 50 JJBA O=C(OCc1ccccc1Br)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2879973 KUTLPLGARINTJD-UHFFFAOYSA-N 476.304 4.547 5 50 JJBA O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12352165 UFQCEKPDZQXSSO-UHFFFAOYSA-N 465.893 4.568 5 50 JJBA COc1ccc(Cl)cc1C1=N/C(=C\c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)C(=O)O1 17086193 QBFCGCJTQZNNNS-JAIQZWGSSA-N 478.844 4.821 5 50 JJBA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 8857524 MYIJIUMBVWUQLH-UHFFFAOYSA-N 467.328 4.603 5 50 JJBA COc1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccc(OC)cc2)cc1 2446106 GYVNOIRPSPQDHH-UHFFFAOYSA-N 476.514 4.835 5 50 JJBA O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1N1CCCCC1 8384649 IPJXEIHYTVWRGJ-UHFFFAOYSA-N 479.459 4.839 5 50 JJBA CC[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746308 XHLBYWDHTJBWCR-AWEZNQCLSA-N 465.520 4.533 5 50 JJBA CCN(CC)C(=O)c1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C 671002 NVPIGYRLOQDRRD-UHFFFAOYSA-N 481.958 4.918 5 50 JJBA Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 1108520 JKCRMSQVKAZCEZ-UHFFFAOYSA-N 456.458 4.779 5 50 JJBA COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)cc1[N+](=O)[O-] 13880580 OMCHKABKHRZGIF-UHFFFAOYSA-N 481.578 4.776 5 50 JJBA O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)c1ccc([N+](=O)[O-])cc1 2903941 IMYSIXXDJAZZNW-UHFFFAOYSA-N 475.507 4.980 5 50 JJBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)ccc2[N+](=O)[O-])n1 9891999 RBNLWZWPRCFVQW-UHFFFAOYSA-N 477.609 4.652 5 50 JJBA O=C(OCc1ccc(Br)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 16247234 GRQFAXAQZVJLKC-UHFFFAOYSA-N 481.258 4.515 5 50 JJBA CCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2F)cc1 2325899799 XTRMNQUBLRBLQO-UHFFFAOYSA-N 488.497 4.968 5 50 JJBA COc1ccc(C(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c2ccc(OC)c(OC)c2)cc1OC 15745777 VDXCNKFJWPJCQL-JYRVWZFOSA-N 478.501 4.548 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 101211812 AEPISOCKPUUWHQ-OALUTQOASA-N 496.951 4.562 5 50 JJBA COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC 9410947 HYCGUMQKJJCGJK-UHFFFAOYSA-N 454.508 4.588 5 50 JJBA O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 4109633 VYVIRNSEBZCVIE-UHFFFAOYSA-N 470.938 4.524 5 50 JJBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 13645697 WQJHGGOVYDTCBR-UHFFFAOYSA-N 457.368 4.536 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1[N+](=O)[O-] 2979281 YYDMTXCNKFHWRD-UHFFFAOYSA-N 475.482 4.504 5 50 JJBA Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1Cc1ccccc1 16286218 BFPQNAIMCDXIJD-UHFFFAOYSA-N 489.557 4.853 5 50 JJBA COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1776111155 BKUQVLZWWRAGRJ-YBFXNURJSA-N 478.844 4.821 5 50 JJBA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)c([N+](=O)[O-])c4)c3n2)cc1 1005621 NPTDWHXDJVOFKS-UHFFFAOYSA-N 457.368 4.642 5 50 JJBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1OC 4125117 IBJKJTTWQRRUKI-IBGZPJMESA-N 490.560 4.748 5 50 JJBA Cc1oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C(=O)OC(C)C 8871916 YBDKZJZBKSWIKK-UHFFFAOYSA-N 452.872 4.669 5 50 JJBA O=C(NCc1ccco1)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 1188496 FFJANIFBALLQRO-PXLXIMEGSA-N 457.442 4.535 5 50 JJBA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3O)cc2)cc1[N+](=O)[O-] 1875308987 LLULXGQMTNKJGY-UHFFFAOYSA-N 495.435 4.681 5 50 JJBA CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1867612 CLEUAGRIIDEAFW-UHFFFAOYSA-N 497.579 4.992 5 50 JJBA Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)cc1I 13946283 GGDNMGBXOVLILM-UHFFFAOYSA-N 465.291 4.669 5 50 JJBA Cc1cccc(N2C(=O)N=C(O)[C@@](CCc3ccncc3)(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 16293403 AKUSGWWYFQHBJF-RUZDIDTESA-N 458.474 4.583 5 50 JJBA COC(=O)c1sc2ncn3nc(-c4cccc(COc5ccc([N+](=O)[O-])c(C)c5)c4)nc3c2c1C 2799486 IHLBZBNNYXMJJO-UHFFFAOYSA-N 489.513 4.897 5 50 JJBA CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 2851053 JIUGQMJXKKRONL-UHFFFAOYSA-N 471.608 4.987 5 50 JJBA CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 11866752 QOVWGYLCPILORX-QFIPXVFZSA-N 477.538 4.900 5 50 JJBA CCOc1cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OCC)c1OCC 15835745 RKKAQEXLBSFGOJ-UHFFFAOYSA-N 467.931 4.571 5 50 JJBA CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1C)C2=O)C(=O)c1ccccc1 16247390 GOUYCUJKCASAQI-QFIPXVFZSA-N 472.453 4.522 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C(=O)Nc2ccc(OC)cc2)c1C 2762610 ZDBJFFFNUZOVQZ-UHFFFAOYSA-N 483.502 4.655 5 50 JJBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 20228494 ULODQCWPGGMRBE-UHFFFAOYSA-N 477.586 4.948 5 50 JJBA CC1=NN(c2ccccc2)C(=O)[C@@H]1C(c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2ccccc2)N=C1C 100921576 YUUCQRGSZMJREY-ZEQRLZLVSA-N 481.512 4.756 5 50 JJBA CCOc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OCC)c1OCC 1174271 AIPQYXUZXQYDER-UHFFFAOYSA-N 467.931 4.571 5 50 JJBA CC[C@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 3877362 AJVPZTOSBMBBRV-QMMMGPOBSA-N 454.331 4.606 5 50 JJBA biogenic O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 1121017 LRNVLZWMFLJTJX-UHFFFAOYSA-N 470.938 4.766 5 50 JJBA O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)cc1 5224032 HGFIOWHPOGLXPU-UHFFFAOYSA-N 492.534 4.610 5 50 JJBA in-vitro O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 9971678 NKMQMVVNVVEUMT-UHFFFAOYSA-N 466.607 4.855 5 50 JJBA CCCCc1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 16346879 KGVHQWIUHLWNIF-UHFFFAOYSA-N 467.547 4.771 5 50 JJBA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 225925247 ODVRZVCAYOWQQD-JIQLLMHVSA-N 490.941 4.546 5 50 JJBA COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 2864047 FGQMMGRLTRMYQM-UHFFFAOYSA-N 462.487 4.847 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 4017473 BOQFPQRKALDOMX-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 11617260 KMTNTBOUYQBRPN-UHFFFAOYSA-N 486.509 4.886 5 50 JJBA Cc1onc(C(=O)N2c3ccnn3[C@@H](C(F)(F)F)C[C@@H]2C2CC2)c1COc1ccc([N+](=O)[O-])cc1 13641821 JAZAGBWDPKZVGG-QZTJIDSGSA-N 491.426 4.599 5 50 JJBA Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 18093872 DNACVOWIIYDTMY-HSZRJFAPSA-N 458.543 4.780 5 50 JJBA O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(I)cc1 1174936 GFJCJTRUNZPXSI-LJQANCHMSA-N 471.254 4.971 5 50 JJBA COc1cc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])ccc1O 100563604 WQNOYVNHZKOGBJ-UHFFFAOYSA-N 480.345 4.603 5 50 JJBA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8435355 JYEKSOWFHRHPEW-UHFFFAOYSA-N 461.305 4.827 5 50 JJBA Cc1cc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C[C@H]2CCCO2)cs1 20352940 GCBSDZPUNPFGMD-OAHLLOKOSA-N 493.998 4.786 5 50 JJBA CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1-2 1159762 KORPPUXXBCQCBL-INIZCTEOSA-N 460.313 4.824 5 50 JJBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2cccc([N+](=O)[O-])c2)cc1 2845130 ZOSQNTGFIPOKPP-UHFFFAOYSA-N 493.463 4.756 5 50 JJBA Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n3c2c1 2917141 QICKFUANOICZIY-GRSHGNNSSA-N 451.891 4.895 5 50 JJBA Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)CC2)cc1 9669116 OSDIIRWMUUKBKV-UHFFFAOYSA-N 478.936 4.771 5 50 JJBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(I)ccc1Cl 1179752 AGUNAUVLKKBVQO-UHFFFAOYSA-N 496.113 4.633 5 50 JJBA Cc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccc(I)cc3c2=O)c1 22242018 NZWZOHGSQRKYOO-RMKNXTFCSA-N 499.264 4.970 5 50 JJBA COc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)cc1 8443584 LCEUGKXULKNIGS-UHFFFAOYSA-N 468.513 4.781 5 50 JJBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C 2767612 NNCCSQZWUJJALY-UHFFFAOYSA-N 467.503 4.954 5 50 JJBA O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2865890 DFKHBPCUUVXCEX-UHFFFAOYSA-N 463.471 4.734 5 50 JJBA O=C(COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1 1109558 PYXDUCZXEHPMDW-UHFFFAOYSA-N 455.264 4.871 5 50 JJBA aggregator O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccc(OCc2ccccc2)cc1 1904173 RCTFPNHIWFHLSC-UHFFFAOYSA-N 488.496 4.936 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1232095 FHGDGRYMSPZHDA-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(OC)c(OC)c3C(=O)O)C2)cc1 6924885 NNXSVNJRGYRROP-NRFANRHFSA-N 477.473 4.675 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 226833785 MNXKREDWCRGYCZ-CCDWMCETSA-N 481.464 4.906 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1c(Cl)cccc1Cl 226989901 SZNGISRRWCCVBE-IRFCIJBXSA-N 484.295 4.953 5 50 JJBA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 12845940 LMRTWXCNPANASX-UHFFFAOYSA-N 456.524 4.732 5 50 JJBA CCOC(=O)c1oc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)nc1C(F)(F)F 1875309065 PISTXZQRWYRTOS-UHFFFAOYSA-N 465.340 4.823 5 50 JJBA CC(C)NC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 2319885 GPRSWITWPNFEEG-UQQQWYQISA-N 495.539 4.743 5 50 JJBA CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 16286087 UBEHHLCYAJKVSX-UHFFFAOYSA-N 465.337 4.603 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1 1875389118 CFMDBEWVTRMUEC-UHFFFAOYSA-N 463.475 4.588 5 50 JJBA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1132439 PVIGYIBEVRFFGB-UHFFFAOYSA-N 455.820 4.758 5 50 JJBA CCCCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(OC)cc1 33383871 NHECPZFKDZGKQT-CJLVFECKSA-N 463.490 4.551 5 50 JJBA C[C@H](OC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1cccc(Cl)c1 1149638 GNTMPKITYCZTDT-AWEZNQCLSA-N 452.850 4.929 5 50 JJBA Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])cc1C 9355964 LDOVURRBGUVODD-QULSYZCUSA-N 452.510 4.956 5 50 JJBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1C(=O)c1ccccc1Br 15303411 FZNNXZIRZUWCDV-STQMWFEESA-N 452.736 4.750 5 50 JJBA Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cccc1[N+](=O)[O-] 1182894 KOVYVIJKVFOICG-UHFFFAOYSA-N 450.451 4.977 5 50 JJBA COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)c1 8450840 BPWXWKIETWLTEW-UHFFFAOYSA-N 498.539 4.790 5 50 JJBA Cc1sc2nc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)c(=O)c2c1C 1125627 VVVSHAFQRXARCX-UHFFFAOYSA-N 451.529 4.947 5 50 JJBA CCSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1-2 1160395 OOTSPTDYHSQICF-MRXNPFEDSA-N 460.313 4.824 5 50 JJBA O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-] 15722779 MOBFJIIFCWESQT-UHFFFAOYSA-N 490.522 4.736 5 50 JJBA O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 2674967 IKOGAJQKVRNTMC-QFIPXVFZSA-N 474.498 4.663 5 50 JJBA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 2884693 DMMDEVXZDNOOOO-VWLOTQADSA-N 480.904 4.573 5 50 JJBA CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)c1 9891912 BNNOZRATGYMSRQ-UHFFFAOYSA-N 486.572 4.519 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 1117508 UMTWOUHGGPPFJJ-UHFFFAOYSA-N 465.959 4.519 5 50 JJBA CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 3671635 ASNIQXCCTHMPIB-MHZLTWQESA-N 455.514 4.811 5 50 JJBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccccc1O 33354950 MXPHGTGAUCGOAX-UHFFFAOYSA-N 450.319 4.594 5 50 JJBA Cc1nn([C@@H](C)c2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731218 JKUZQLKPZHJSHG-NSHDSACASA-N 479.353 4.856 5 50 JJBA O=C(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1136253 UUWJKNPYMCZNHP-UHFFFAOYSA-N 471.252 4.850 5 50 JJBA CCOC(=O)c1c(NC(=O)[C@@H](CC)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 3667192 AVRCPIMJGDXWRP-GPZRYRNASA-N 486.546 4.686 5 50 JJBA CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)c1 9046504 RRDJAOBBPRSLHZ-UHFFFAOYSA-N 460.534 4.568 5 50 JJBA O=[N+]([O-])c1ccc(Nc2cccc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 100715946 SEDPXKQGDJPJLG-UHFFFAOYSA-N 485.325 4.715 5 50 JJBA COc1cc(Br)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1OC 979953 GOKOTQSDETUIHB-LZYBPNLTSA-N 479.308 4.611 5 50 JJBA O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 2881202 NWZPWVIWDXIJGY-UHFFFAOYSA-N 461.396 4.963 5 50 JJBA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 245246369 JUJYJBMCGMULIJ-YPAWHYETSA-N 463.877 4.608 5 50 JJBA COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc([N+](=O)[O-])c1O 19843152 MPHGOCBNRDVBTO-JOCHJYFZSA-N 489.513 4.956 5 50 JJBA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4scnc4C)CCC[C@H]3[C@@H]2c2scnc2C)n1 8455392 YFKAGNWIGBBXNK-UYYZKZEMSA-N 497.606 4.778 5 50 JJBA CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccc([N+](=O)[O-])cc2)S1 9076524 CXGRLIJKKRRBSS-JOCHJYFZSA-N 484.559 4.710 5 50 JJBA COc1cc2ccccc2cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15799268 FZJKCMPDUFCPRP-UHFFFAOYSA-N 459.424 4.738 5 50 JJBA COc1ccccc1OCc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 1125116 UHNGYAPXYSKFNC-UHFFFAOYSA-N 476.514 4.738 5 50 JJBA Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1[N+](=O)[O-] 16285970 ZOTVGFXLHRIZAD-UHFFFAOYSA-N 480.933 4.987 5 50 JJBA O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1[N+](=O)[O-] 1859807 KZOWIEMPJLLAOV-UHFFFAOYSA-N 450.501 4.704 5 50 JJBA CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2CC)cc1 9304880 LTXFQJKSNAPNHE-OAHLLOKOSA-N 455.540 4.639 5 50 JJBA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)c1ccc([N+](=O)[O-])cc1 1132494 CUFZYZRIHCCTGT-UHFFFAOYSA-N 473.437 4.921 5 50 JJBA biogenic Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br 12427672 DQQQXJJQNYMWLE-UHFFFAOYSA-N 473.371 4.969 5 50 JJBA CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 2836539 IJKGTCRDZZPKCH-UHFFFAOYSA-N 469.567 4.948 5 50 JJBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1C 9891992 ZNOAXDDMDKYMPW-OAQYLSRUSA-N 494.617 4.896 5 50 JJBA CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 817567 VASIKEJNMUCRSA-UHFFFAOYSA-N 450.491 4.873 5 50 JJBA biogenic COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1 872120 BZWNKUGMWXJQII-RUZDIDTESA-N 469.501 4.615 5 50 JJBA CCOC(=O)c1sc(NC(=S)Nc2ccc(OCC)cc2[N+](=O)[O-])c(C(=O)OCC)c1C 16346324 SXBFZXBSUGBRRH-UHFFFAOYSA-N 481.552 4.526 5 50 JJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 1114837 HPVJNIQZWWPNHT-UHFFFAOYSA-N 469.251 4.578 5 50 JJBA Cc1ccc(OCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c(C(C)(C)C)c1 1891957 ULDVHKGKRNTKMA-UHFFFAOYSA-N 489.575 4.508 5 50 JJBA Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 2756436 RYOSPXVQPHMSSG-UHFFFAOYSA-N 471.732 4.560 5 50 JJBA O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)OCc1ccccc1 4558600 PSGUPSZCSBVRHF-AWEZNQCLSA-N 477.757 4.504 5 50 JJBA COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 8432213 NZFGHFZLGLOYQK-RUZDIDTESA-N 487.516 4.825 5 50 JJBA COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 14166441 QPNWRGIAHFPICM-UHFFFAOYSA-N 497.573 4.869 5 50 JJBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 16346856 PUIIRRHKOIWIRG-UHFFFAOYSA-N 480.329 4.736 5 50 JJBA Cc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 1446596 ZJFJSWKMJGGKKM-MRXNPFEDSA-N 475.785 4.624 5 50 JJBA CSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N(C(C)=O)c1ccccc1-2 15016390 MQPNOPZVOCSNRD-QFIPXVFZSA-N 475.486 4.873 5 50 JJBA Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2C1=O 16247708 KBPQPXTWKIXQEU-UHFFFAOYSA-N 494.459 4.897 5 50 JJBA O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1ccccc1[N+](=O)[O-] 13635087 IVLRZAUPGCYGBU-FMIVXFBMSA-N 464.275 4.932 5 50 JJBA CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC 1080899 ODFYNEHUMNTCFD-FHLOSVSTSA-N 471.893 4.503 5 50 JJBA COc1cc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1218996 APMJNZBSKWKRDS-OAQYLSRUSA-N 461.474 4.612 5 50 JJBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)ccc2[N+](=O)[O-])n1 9435174 COCOIAQFBMZYAY-UHFFFAOYSA-N 474.348 4.667 5 50 JJBA O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 12860585 WKUKLKFWZOHPFE-UHFFFAOYSA-N 463.365 4.854 5 50 JJBA O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272445 TZOLRWFBNCXDMF-UHFFFAOYSA-N 453.307 4.600 5 50 JJBA O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 229939597 PNRAUUFHWKLZIG-QHAWAJNXSA-N 484.295 4.953 5 50 JJBA CCOC(=O)c1sc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 16383873 HBMQZIBCYKWQDZ-UHFFFAOYSA-N 489.550 4.561 5 50 JJBA O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1ccc([N+](=O)[O-])cc1 8922308 XBEISTIIFNDFMA-LFYBBSHMSA-N 464.275 4.932 5 50 JJBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101263608 KLIUPRGZNOLEQV-HDICACEKSA-N 476.316 4.634 5 50 JJBA O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1Cc1ccccc1 8836602 MJUXRJMDJIIBCC-JXMROGBWSA-N 499.264 4.721 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 16347596 SREOAGFTHVSCQF-UHFFFAOYSA-N 459.911 4.634 5 50 JJBA O=C(Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)c1cccc(I)c1 1002276 JEJLLNBZCRIZOS-UHFFFAOYSA-N 498.170 4.731 5 50 JJBA O=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4198928 UHJXCTGYFNIRSB-UHFFFAOYSA-N 477.498 4.651 5 50 JJBA aggregator Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)N(c4ccccc4)O[C@H]3C2=O)c(C)c1 229956536 BZPAHXGGPZOEPF-YTFSRNRJSA-N 477.904 4.916 5 50 JJBA O=C(N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 837019 KOCCIUJDRDSPNO-AWEZNQCLSA-N 468.518 4.862 5 50 JJBA Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)NC(=O)c2cccc(Br)c2)cc1 15240243 XRCRRYAFXBJLHA-LDADJPATSA-N 470.279 4.668 5 50 JJBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 12418954 ZSWJZZOXNLKEMS-UHFFFAOYSA-N 462.531 4.927 5 50 JJBA CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1C)C2=O)C(=O)c1ccccc1 16247388 GOUYCUJKCASAQI-JOCHJYFZSA-N 472.453 4.522 5 50 JJBA CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N2CCCCC2)cc1 22258380 VLWQKPPZWXACHB-PTGBLXJZSA-N 451.523 4.557 5 50 JJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(I)cc2)o1 999901 WYKVNFNXISQCDH-UHFFFAOYSA-N 464.215 4.624 5 50 JJBA Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc24)C3=O)cc1[N+](=O)[O-] 1174076 OTKDVDMSUHEADJ-UHFFFAOYSA-N 494.459 4.897 5 50 JJBA O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc([N+](=O)[O-])c1 2993131 MWFVAEGVYQTXFW-HHHXNRCGSA-N 452.466 4.755 5 50 JJBA O=C(OCc1ccc(Br)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1120692 QWQYGEXYRRGTMU-UHFFFAOYSA-N 481.258 4.515 5 50 JJBA O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1157087 ABQDVVPBZKXKRV-UHFFFAOYSA-N 494.356 4.731 5 50 JJBA Cc1onc(C(=O)N2c3ccnn3[C@@H](C(F)(F)F)C[C@H]2C2CC2)c1COc1ccc([N+](=O)[O-])cc1 13641824 JAZAGBWDPKZVGG-ZWKOTPCHSA-N 491.426 4.599 5 50 JJBA CN(C(=O)c1ccc(NC(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)cc1)c1ccccc1 16447738 NIEWTYDOEIJXEB-JOCHJYFZSA-N 474.517 4.715 5 50 JJBA COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1OC 2064358 PPILJMUJFUNDFH-UHFFFAOYSA-N 478.486 4.547 5 50 JJBA CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)CC1 245326010 IOAFVJOKCOOQCZ-WKILWMFISA-N 467.518 4.888 5 50 JJBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1175468 FKVZAUFCRVXUGM-HXUWFJFHSA-N 484.295 4.748 5 50 JJBA O=c1c([N+](=O)[O-])c(N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2n1-c1ccccc1 54290477 SHEIURDAWMEWHQ-FMIVXFBMSA-N 466.541 4.734 5 50 JJBA Cc1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 2855816 AMKHPLNIOXYJDV-UHFFFAOYSA-N 493.463 4.756 5 50 JJBA O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 245247786 XHJPICMRXHBYBX-NJDAHSKKSA-N 484.295 4.953 5 50 JJBA COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OCc1ccc(Cl)cc1 8986291 CHNZMXOCZUICPS-UHFFFAOYSA-N 481.936 4.798 5 50 JJBA O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 16393942 AWIUOTKFIXLVST-UHFFFAOYSA-N 450.520 4.571 5 50 JJBA O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(I)cc1 827825 SSFPGGRUNITVGZ-UHFFFAOYSA-N 486.221 4.792 5 50 JJBA COc1cc(NC(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C[C@@H]3C(F)(F)F)cc([N+](=O)[O-])c1 866050 QQDILAOUAITARW-ZWKOTPCHSA-N 479.390 4.852 5 50 JJBA O=C(Nc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 2837492 TVPZOIVQAVXVLO-UHFFFAOYSA-N 485.250 4.770 5 50 JJBA Cc1c(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 16425116 JLFLVDGSDKEPPI-UHFFFAOYSA-N 497.617 4.776 5 50 JJBA Cc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 9906322 AZNQKAFHCDFTIP-UHFFFAOYSA-N 458.474 4.800 5 50 JJBA Cc1cc(C(=O)Nc2ccc(I)cc2C(F)(F)F)ccc1[N+](=O)[O-] 2850539 SCHCHMPNOYDNNO-UHFFFAOYSA-N 450.154 4.779 5 50 JJBA O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Sc1nc(O)cc(C(F)(F)F)n1 9312249 HTZVGLKGGMZINK-UHFFFAOYSA-N 460.393 4.769 5 50 JJBA C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 1050496 TUTCJSKFPJMUCA-INIZCTEOSA-N 488.452 4.589 5 50 JJBA O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1 15722868 SSYGJNIKPVZXJJ-UHFFFAOYSA-N 490.522 4.736 5 50 JJBA O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 15821508 IPZLUQDDKHIDSD-UHFFFAOYSA-N 461.587 4.762 5 50 JJBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 17988938 KLIUPRGZNOLEQV-ROUUACIJSA-N 476.316 4.634 5 50 JJBA O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] 9165275 HPTKHNNNNXMYTB-UHFFFAOYSA-N 466.906 4.678 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2C2CC2)cc1 2325899777 WVIOMPWTVLQMOV-UHFFFAOYSA-N 452.492 4.917 5 50 JJBA O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N1CCc2ccccc2C1 845332 JJJGXICJWHMTIF-UHFFFAOYSA-N 467.407 4.522 5 50 JJBA CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1 9971797 ZCFZQSJAEXUOKB-UHFFFAOYSA-N 464.522 4.551 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C(F)(F)F 137769867 PGIJGILKOFWSEC-PCCBWWKXSA-N 483.402 4.665 5 50 JJBA CCOC(=O)c1c(C)sc(Sc2ccc(Br)cc2[N+](=O)[O-])c1OC(C)=O 977828 PTWRDKYJAGKRMB-UHFFFAOYSA-N 460.327 4.980 5 50 JJBA COc1ccccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 2883425 PXQRFZUCRXHDIF-UHFFFAOYSA-N 476.514 4.738 5 50 JJBA Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)cccc1[N+](=O)[O-] 1181270 LHRIKKRVSQANBE-UHFFFAOYSA-N 450.451 4.977 5 50 JJBA CC1=NN(c2ccccc2)C(=O)[C@H]1C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)N(c2ccccc2)N=C1C 100998843 UPLCSJYZDURRJX-DNQXCXABSA-N 481.512 4.756 5 50 JJBA CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)N(c2ccccc2)N=C1C 248073419 YUUCQRGSZMJREY-LNWKWYTESA-N 481.512 4.756 5 50 JJBA Cc1c(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 1132206 OCMMCZIQEYBFIQ-UHFFFAOYSA-N 478.936 4.771 5 50 JJBA COc1ccc(/C=C2\CN(S(=O)(=O)c3ccc(C)cc3)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c32)cc1 12461804 ZZEHJDWJFBMJAH-GZTJUZNOSA-N 481.486 4.570 5 50 JJBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(I)ccc1Cl 15856738 RDIXSNJARHZSAG-UHFFFAOYSA-N 496.113 4.633 5 50 JJBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104239001 LVMPJFPPCZTUQB-UHFFFAOYSA-N 482.365 4.624 5 50 JJBA O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)o1 1119990 NHWCOUWWZNHNBI-IBGZPJMESA-N 451.439 4.974 5 50 JJBA Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(NC(=O)c2ccccc2F)c1 1165407 VGYOHAXRHZQIFO-UHFFFAOYSA-N 491.504 4.757 5 50 JJBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9113652 IOUOCBCNLXQONV-UHFFFAOYSA-N 476.964 4.773 5 50 JJBA CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 245245558 DDQWRVUFIHYGNV-UBFVSLLYSA-N 487.512 4.825 5 50 JJBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 658440 YQBKRKNTGLNXLW-CAZKKTPXSA-N 465.292 4.778 5 50 JJBA Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 1174006 WNGNCYKGYKTOGM-UHFFFAOYSA-N 452.850 4.849 5 50 JJBA COc1ccc2[nH]cc([C@@H](C)CNC(=O)N(C)Cc3nc(C)c(-c4cccc([N+](=O)[O-])c4)[nH]3)c2c1 1875350738 YUXZLUUWCDHKKL-HNNXBMFYSA-N 476.537 4.728 5 50 JJBA CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@@H]1c1ccc(Br)cc1 1151246 SRSCTHCIRDFJFB-XMSQKQJNSA-N 474.307 4.830 5 50 JJBA Cc1ccc(C)c(N[C@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 2820871 ZFPVVXWWYLNQDY-HSZRJFAPSA-N 460.486 4.691 5 50 JJBA COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Br)c2)cc1[N+](=O)[O-] 826396 PYFKXSWNFPUEQV-UHFFFAOYSA-N 470.279 4.871 5 50 JJBA Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 1152191 OYNMQOAQRWPFES-UHFFFAOYSA-N 473.514 4.618 5 50 JJBA O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2746882 LWXIRZHGAXLTFI-LJQANCHMSA-N 457.273 4.813 5 50 JJBA O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1cccc(I)c1 3613780 ROWRBKLHTRAXDO-UHFFFAOYSA-N 469.238 4.566 5 50 JJBA COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 14186217 IAAZZFJYQXTOOX-UHFFFAOYSA-N 497.573 4.671 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 871701 OOLQKTQRBFXIOS-HSZRJFAPSA-N 458.474 4.723 5 50 JJBA biogenic COC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8867676 XOIIBHMUAGRWHD-XMMPIXPASA-N 473.514 4.689 5 50 JJBA O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(I)ccc1Cl 1179969 XXFWBTFDLFULIU-UHFFFAOYSA-N 496.113 4.633 5 50 JJBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 8916710 IXOIILPYVBYCFI-UHFFFAOYSA-N 463.365 4.854 5 50 JJBA O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 9271774 AGIGTDSYHDODNU-UHFFFAOYSA-N 478.568 4.933 5 50 JJBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1 9720429 CSRWNTQUFZVQNT-UHFFFAOYSA-N 460.534 4.568 5 50 JJBA COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 1173195 PJANPYHILJSRIF-UHFFFAOYSA-N 468.849 4.549 5 50 JJBA CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc12 1210092 KYEWKKAGAFTXRE-UHFFFAOYSA-N 478.482 4.888 5 50 JJBA O=C(CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 13959507 RPEOWFQHLUWBDL-CPNJWEJPSA-N 470.576 4.900 5 50 JJBA Cc1nn(CCCn2c(SCc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1Cl 2733645 KGSROYGZUXVRPV-UHFFFAOYSA-N 469.954 4.846 5 50 JJBA O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 13946322 BNIBFWOFXIUWQE-UHFFFAOYSA-N 451.910 4.790 5 50 JJBA CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 1111833 ADDQWUNDYDXFGE-UHFFFAOYSA-N 456.458 4.877 5 50 JJBA COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 2884694 DMMDEVXZDNOOOO-RUZDIDTESA-N 480.904 4.573 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1[N+](=O)[O-] 2983774 GHEGSTCXLUTQBT-UHFFFAOYSA-N 462.940 4.897 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2OC)c1C 2767017 CXJOTKKYNOQTMG-UHFFFAOYSA-N 497.529 4.963 5 50 JJBA O=C(Nc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 22135394 XZEQIZPZHZZBSU-DEDYPNTBSA-N 466.291 4.767 5 50 JJBA Cc1ccc(C)c(NC(=S)N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 1232142 TYBXMWREHWPMCV-INIZCTEOSA-N 475.785 4.624 5 50 JJBA Cc1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] 16425067 RSIYUVIDCRORFF-UHFFFAOYSA-N 459.911 4.634 5 50 JJBA Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1[N+](=O)[O-] 1173136 BMCRORINFMTHJL-UHFFFAOYSA-N 497.301 4.958 5 50 JJBA COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)cc12 1769911 OSTXKHZIKCBLSP-UHFFFAOYSA-N 464.268 4.794 5 50 JJBA biogenic CSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)N(C(C)=O)c1ccccc1-2 1184934 FGHIXTCQUPZQLL-JOCHJYFZSA-N 475.486 4.873 5 50 JJBA Cc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)o2)cc1 13512789 JMNUZAJVVBOTLK-SFQUDFHCSA-N 470.279 4.668 5 50 JJBA O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1S(=O)(=O)c1ccccc1 96372383 IBXBOQKFZSMVOL-UHFFFAOYSA-N 458.858 4.907 5 50 JJBA COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1[N+](=O)[O-] 1209772 QXVKHEONWVSHLL-UHFFFAOYSA-N 470.279 4.871 5 50 JJBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1C(=O)c1ccccc1Br 15303403 FZNNXZIRZUWCDV-BETUJISGSA-N 452.736 4.750 5 50 JJBA CC[C@@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 3877361 AJVPZTOSBMBBRV-MRVPVSSYSA-N 454.331 4.606 5 50 JJBA biogenic Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccccc3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 8854887 OMXOOXKWYGZUDI-GZTJUZNOSA-N 451.460 4.561 5 50 JJBA O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1194644 BFHDQTGQBQICOA-WJDWOHSUSA-N 486.221 4.804 5 50 JJBA C[C@H](C(=O)OCc1ccccc1Cl)n1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 2999505 VBPFEGUNMGBOGS-CYBMUJFWSA-N 469.906 4.991 5 50 JJBA COc1ccccc1-c1cc(C(=O)OCCNc2ccc3nonc3c2[N+](=O)[O-])c2ccccc2n1 20275110 PXKMVLVMJCQXIX-UHFFFAOYSA-N 485.456 4.624 5 50 JJBA C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(Cl)c1 1137787 IPXZINVIOKVWTO-CQSZACIVSA-N 452.850 4.929 5 50 JJBA O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 4017472 BOQFPQRKALDOMX-CQSZACIVSA-N 482.176 4.661 5 50 JJBA O=C(Nc1ccc(Br)cc1F)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 8454224 GMVJOQMZYPBOEX-UHFFFAOYSA-N 463.307 4.871 5 50 JJBA Cc1ccc([C@H](C)NC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 1875327491 XQPXVXRXLNSBEZ-MAUKXSAKSA-N 469.542 4.563 5 50 JJBA CCc1ccc(N(Cc2ccnn2CC)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cc1 2786455 WLZAEQFDHADXJP-UHFFFAOYSA-N 476.537 4.675 5 50 JJBA COc1ccc(Nc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc3ccccc23)cc1 9721003 CJMXIAFKDCVZOJ-UHFFFAOYSA-N 456.506 4.617 5 50 JJBA COc1ccc(NC(=O)CSc2nccc(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 13643233 FEWHLHJBHCJNOE-UHFFFAOYSA-N 475.324 4.554 5 50 JJBA N=C1NC(=O)/C(=C\c2ccc(-c3c(Br)cc([N+](=O)[O-])cc3Br)o2)S1 23128325 UIFDGFIYDLUENB-VZUCSPMQSA-N 473.102 4.518 5 50 JJBA CCOc1c(Br)cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC 1192956 ZWTGKXRXDJFBLF-AUWJEWJLSA-N 481.686 4.763 5 50 JJBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 14166388 PTTSNNCBEUYNEJ-UHFFFAOYSA-N 461.499 4.582 5 50 JJBA O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16392377 VJGIZGHPGRGMIN-UHFFFAOYSA-N 473.920 4.821 5 50 JJBA COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 855131 RNIGSDXUUZLYEG-QFIPXVFZSA-N 456.545 4.707 5 50 JJBA Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc21 1070007 HTYCPKMTXREPRT-DEOSSOPVSA-N 450.878 4.564 5 50 JJBA COc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(F)cc4)nc23)cc([N+](=O)[O-])c1 1216389 WXZKUZXBWGRVFI-UHFFFAOYSA-N 475.358 4.723 5 50 JJBA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)NC(=O)N1 1186457 WDIQNLYYBRUJNS-QGZVFWFLSA-N 479.718 4.586 5 50 JJBA CCCCNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(OC)cc1 2286436 NHECPZFKDZGKQT-JWGURIENSA-N 463.490 4.551 5 50 JJBA O=C(N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 3184044 FMFOMWZXFOPUNN-CQSZACIVSA-N 482.176 4.661 5 50 JJBA COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 14152447 WNKUQWDTLGAHNH-UHFFFAOYSA-N 464.425 4.810 5 50 JJBA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 17969776 HDIITRHIQFCCBV-JQBYJRRVSA-N 475.298 4.754 5 50 JJBA Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)ccc1[N+](=O)[O-] 13946358 WDDGIVWFOMOTQB-UHFFFAOYSA-N 484.965 4.833 5 50 JJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)cc2)c1 1021424 SLZJHYBHDDKEHS-UHFFFAOYSA-N 494.298 4.550 5 50 JJBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1OC 4125120 IBJKJTTWQRRUKI-LJQANCHMSA-N 490.560 4.748 5 50 JJBA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 16425750 HLPLZLSLILGSSE-UHFFFAOYSA-N 499.999 4.549 5 50 JJBA Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 647306 AEPGTTCHNOAXKY-UHFFFAOYSA-N 471.732 4.560 5 50 JJBA O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)c1ccccc1 4583675 WNLKBSMEKJOAIP-CQSZACIVSA-N 482.176 4.661 5 50 JJBA Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2O)c(C)c1 9235122 IGPMHEIJISABPC-UHFFFAOYSA-N 475.530 4.896 5 50 JJBA Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 16426348 AHEFDCRCAJWLIF-UHFFFAOYSA-N 473.938 4.699 5 50 JJBA Cc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Cl)cc1 1058904 UGHRRQWNATUJRL-UHFFFAOYSA-N 473.938 4.699 5 50 JJBA CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nn12 9582313 DWEVOJQWQDJSQE-UHFFFAOYSA-N 491.577 4.874 5 50 JJBA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1Cl 678503 MKILVUNGULKIOM-UHFFFAOYSA-N 467.869 4.560 5 50 JJBA COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22171319 OSHVGUPFODALAN-XSFVSMFZSA-N 496.317 4.776 5 50 JJBA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H](/C=C/c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC 8892140 ODFYNEHUMNTCFD-KHDCZEMKSA-N 471.893 4.503 5 50 JJBA CCOc1ccc(/C=C2\CN(S(=O)(=O)c3ccc(C)cc3)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c32)cc1 12411668 NLEFDMBJIZNHFV-LDADJPATSA-N 495.513 4.960 5 50 JJBA O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 869843 GLMMXFJMQWMVSB-UHFFFAOYSA-N 464.375 4.869 5 50 JJBA C[C@@H](OC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1cccc(Cl)c1 1149640 GNTMPKITYCZTDT-CQSZACIVSA-N 452.850 4.929 5 50 JJBA CC[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746309 XHLBYWDHTJBWCR-CQSZACIVSA-N 465.520 4.533 5 50 JJBA COc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)cc1 2838601 VMQJMTMGAABOEW-UHFFFAOYSA-N 496.574 4.562 5 50 JJBA O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9934622 RERVRVDPDPWARM-UHFFFAOYSA-N 482.540 4.866 5 50 JJBA O=C(NCc1c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc2ccccc12)c1ccccc1 2885463 FPDFFTIHOZPFJC-UHFFFAOYSA-N 471.425 4.805 5 50 JJBA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(OC)cc4[N+](=O)[O-])c3n2)cc1 8454747 OMLPVHSYRPFDMB-UHFFFAOYSA-N 469.404 4.512 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 15835754 MQAGXHJZTPUNOT-UHFFFAOYSA-N 478.486 4.634 5 50 JJBA O=C1[C@H]2[C@@H](c3cccc4ccccc34)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 229967721 HXXMZGFZVHQYJX-ISJGIBHGSA-N 465.465 4.799 5 50 JJBA O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8453614 UBHYACSPALSYGA-UHFFFAOYSA-N 478.254 4.648 5 50 JJBA Cn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1cccc([N+](=O)[O-])c1 16382147 QEXUYUGULJFULM-UHFFFAOYSA-N 471.542 4.946 5 50 JJBA CN(C(=O)c1ccc(NC(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)cc1)c1ccccc1 16447736 NIEWTYDOEIJXEB-QFIPXVFZSA-N 474.517 4.715 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1[N+](=O)[O-] 2984834 CYMBOHSPRKVDGP-UHFFFAOYSA-N 478.486 4.634 5 50 JJBA COc1cccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)c1 8430753 QFGBONKFOGCFSM-UHFFFAOYSA-N 468.513 4.781 5 50 JJBA COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 22184627 YLQCJEZLMDOKJC-KGENOOAVSA-N 451.866 4.666 5 50 JJBA CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc(C(=O)N(CC)CC)c1C 1199921 IYAUDKSATMIFRS-UHFFFAOYSA-N 467.931 4.529 5 50 JJBA Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3O)oc2c1 2879947 LJYYTEBBRKABCZ-UHFFFAOYSA-N 462.487 4.852 5 50 JJBA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 226077916 PPCJZFVOOACGCM-JIQLLMHVSA-N 490.941 4.546 5 50 JJBA O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1133778 BSKDJEZSADGCQE-UHFFFAOYSA-N 480.329 4.736 5 50 JJBA O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc(-c3ccc(Cl)cc3Cl)nn12 2828977 JWYNRWZJDZSBET-ZDLGFXPLSA-N 485.308 4.841 5 50 JJBA O=C(CCSc1ccc([N+](=O)[O-])cc1)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 2845229 IQKROAOOVLCYLO-UHFFFAOYSA-N 463.726 4.991 5 50 JJBA COc1ccc(NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 9614277 OEIKMINIUOYGDU-UHFFFAOYSA-N 489.557 4.700 5 50 JJBA CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 3671636 ASNIQXCCTHMPIB-HHHXNRCGSA-N 455.514 4.811 5 50 JJBA COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 8666216 HGQPSNKLAUMXFX-UHFFFAOYSA-N 488.500 4.809 5 50 JJBA O=C(COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 990455 GCNKEFSUSSZRMK-UHFFFAOYSA-N 483.274 4.649 5 50 JJBA O=C(N[C@H](CO)[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 2797856 MXTKNXNCODWRFF-RTWAWAEBSA-N 489.311 4.591 5 50 JJBA CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8871956 VHCUEKNXLAZSKI-UHFFFAOYSA-N 466.471 4.986 5 50 JJBA CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 9260509 VUOWNQIUEMKTMS-LPYMAVHISA-N 491.475 4.805 5 50 JJBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 1875358410 VJZRJUKYKOTRFH-MWTRTKDXSA-N 466.459 4.508 5 50 JJBA Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1[N+](=O)[O-] 1124341 PDRZUTPSWZZCJE-UHFFFAOYSA-N 474.542 4.587 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1[N+](=O)[O-] 2982451 RCZRIEYAPJRIRL-UHFFFAOYSA-N 462.487 4.847 5 50 JJBA O=c1c2cc(I)ccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1 9076243 JIYICJPGEQZOSV-JXMROGBWSA-N 485.237 4.662 5 50 JJBA O=C(Nc1ccc(I)cn1)c1sc2c([N+](=O)[O-])cccc2c1Cl 16489127 PCIDTFCCLTZHHG-UHFFFAOYSA-N 459.652 4.715 5 50 JJBA O=C(N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccccc1Cl 3142367 BPBZMJQGTRCXPS-CQSZACIVSA-N 482.176 4.661 5 50 JJBA O=C(N[C@@H](CO)[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 2797858 MXTKNXNCODWRFF-SFTDATJTSA-N 489.311 4.591 5 50 JJBA O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 9562482 WGINGXYRRLNYNJ-UHFFFAOYSA-N 478.568 4.933 5 50 JJBA CC(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 12383068 QYDIRQGMYHTACL-UHFFFAOYSA-N 458.367 4.536 5 50 JJBA CCc1cccc(C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 1132024 PKFZFOXRIMNRPG-UHFFFAOYSA-N 467.547 4.608 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 9699898 FSJLNSWZBQNBIW-FQEVSTJZSA-N 484.295 4.748 5 50 JJBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc2)cc1 8856569 TWKYKPXALBPVMN-UHFFFAOYSA-N 497.617 4.662 5 50 JJBA CC1(C)Cc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3Cc2ccc([N+](=O)[O-])cc2)CO1 9312110 HXBCHVDBJNYMJG-UHFFFAOYSA-N 497.960 4.675 5 50 JJBA O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1Br 2980944 VYTNWAZLTCZAQN-UHFFFAOYSA-N 463.338 4.608 5 50 JJBA O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1-c1cccc([N+](=O)[O-])c1 8836233 CCKIOLOMGSGSLG-DHZHZOJOSA-N 464.275 4.932 5 50 JJBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 16360969 ILBKASIZJHYHQN-UHFFFAOYSA-N 462.575 4.707 5 50 JJBA O=C(COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)c1ccc([N+](=O)[O-])cc1 1178769 QLQRQTWCKDTZKA-UHFFFAOYSA-N 480.432 4.588 5 50 JJBA CCCSc1nnc2c(n1)O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N(C(=O)CC)c1ccccc1-2 2839473 OFUPLHWHNMSVNM-QFIPXVFZSA-N 495.517 4.512 5 50 JJBA O=C1[C@H]2[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@H]2C(=O)N1c1cccc2ccccc12 200474625 XGFJOELKMOGKSN-ISJGIBHGSA-N 465.465 4.799 5 50 JJBA COc1cc(NC(=O)c2cnn3c2N[C@@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)cc([N+](=O)[O-])c1 866047 QQDILAOUAITARW-MSOLQXFVSA-N 479.390 4.852 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCCN3C(=O)[C@H]4CCCC[C@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 101209385 HKGKKTTYIZRNNM-KDURUIRLSA-N 498.967 4.786 5 50 JJBA COC(=O)c1c(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])sc2c1CCCC2 12649922 CVSBYZXXCYGUGB-UHFFFAOYSA-N 484.578 4.696 5 50 JJBA CCSc1nnc2c(n1)O[C@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(Br)cc1-2 1120071 PGLXXAJCUNGLSI-BTKRWWFXSA-N 476.312 4.758 5 50 JJBA O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccco3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1)c1ccco1 2820956 JPSLYOIUMOVIMI-UHFFFAOYSA-N 476.401 4.784 5 50 JJBA COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)/C=C/c3ccc(OC)cc3)c2)cc1 8432301 OSEVBXMRTUOFSU-BGPOSVGRSA-N 473.485 4.916 5 50 JJBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccc(Cl)cc1Cl 9848757 YAVKNROZLIZQIY-UHFFFAOYSA-N 482.349 4.919 5 50 JJBA COc1ccc(-c2cc3ccc(OCC(=O)c4cccc([N+](=O)[O-])c4)cc3oc2=O)cc1OC 1057488 JKFQMXORVWGXLV-UHFFFAOYSA-N 461.426 4.647 5 50 JJBA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 16183756 HDIITRHIQFCCBV-UJKMTWAASA-N 475.298 4.754 5 50 JJBA CC(C)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 8450150 HSLVFRMIRFIYRC-QGZVFWFLSA-N 450.278 4.551 5 50 JJBA O=C(CCCCC(=O)Oc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1[N+](=O)[O-] 2832026 UGUTUOMEZOGAAU-UHFFFAOYSA-N 457.222 4.881 5 50 JJBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12 8454737 YQXBUEPMXISBRB-UHFFFAOYSA-N 453.405 4.811 5 50 JJBA O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1cccc(Cl)c1 230047440 GRLANHLPWDMAJR-WMZHIEFXSA-N 468.897 4.663 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 1117725 WMGZKLSOPNOBIG-GOSISDBHSA-N 467.547 4.514 5 50 JJBA COc1ccc([N+](=O)[O-])cc1CSc1nnc(NC(=O)c2ccccc2Br)s1 2812782 FSJKFEFXZMTSND-UHFFFAOYSA-N 481.353 4.762 5 50 JJBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1C(=O)c1ccccc1Br 15303395 FZNNXZIRZUWCDV-CHWSQXEVSA-N 452.736 4.750 5 50 JJBA Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccccc2C1=O 16426091 APJIFESXEBHOSF-UHFFFAOYSA-N 478.892 4.517 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1 35023489 STBDFWORRHYEAL-JMLJLYKJSA-N 472.497 4.996 5 50 JJBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1CCc1ccccc1 1799334 ZAJFRLNQQVNRHC-UHFFFAOYSA-N 493.566 4.922 5 50 JJBA COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=c2\sc3nc4c(C)c(C)ccc4n3c2=O)o1 6459889 PLCALGKIZMUHNL-ZBKNUEDVSA-N 481.917 4.904 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 14770801 VMDFVHVZBYFFNO-UHFFFAOYSA-N 458.721 4.536 5 50 JJBA CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC 8892142 ODFYNEHUMNTCFD-ASLIDYDASA-N 471.893 4.503 5 50 JJBA Cc1nn([C@H](C)c2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731219 JKUZQLKPZHJSHG-LLVKDONJSA-N 479.353 4.856 5 50 JJBA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16447967 AIYSUPDPQUMDCI-UHFFFAOYSA-N 460.515 4.960 5 50 JJBA COC(=O)[C@@]1(OC)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N(C)C4 100006702 QTYMDECKVKSGSM-FXAGJUNHSA-N 495.535 4.651 5 50 JJBA in-vitro CCn1c(CCCc2ccc(OC)c(C)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 2851666 DGXGXWSERPWZGZ-UHFFFAOYSA-N 483.594 4.738 5 50 JJBA Cc1ccc(/C=C2/N=C(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)N(CC(C)C)C2=O)s1 13959593 KRCQRCUHEAXGDP-VCHYOVAHSA-N 458.565 4.532 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 1171252 HPPCYHIFPQNBOM-UHFFFAOYSA-N 458.721 4.536 5 50 JJBA Cc1nn(Cc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2730122 AGPWOVKEJQXEGH-UHFFFAOYSA-N 479.353 4.603 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 136060158 PNRAUUFHWKLZIG-PCCBWWKXSA-N 484.295 4.953 5 50 JJBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccc(Br)cc1 1196793 FJYRUGMFVWVLBM-UHFFFAOYSA-N 490.335 4.719 5 50 JJBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1 9015725 PIWCHRREXTZAQF-UHFFFAOYSA-N 453.442 4.547 5 50 JJBA CCc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)cc1 2876416 WEZWZDZFRFBRJZ-UHFFFAOYSA-N 467.547 4.608 5 50 JJBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1C 9891991 ZNOAXDDMDKYMPW-NRFANRHFSA-N 494.617 4.896 5 50 JJBA O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 9601728 JWQQNMAMMLZKCW-UHFFFAOYSA-N 485.338 4.525 5 50 JJBA COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1072884 JEXLAZXKNXJIRS-UHFFFAOYSA-N 451.342 4.716 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 2738926 BBQJVVVACQFODI-UHFFFAOYSA-N 471.466 4.785 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl 2983618 KUMHSCTUDMVUAC-UHFFFAOYSA-N 462.940 4.897 5 50 JJBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 9601729 ALLGJLIHHBZSCX-UHFFFAOYSA-N 464.953 4.865 5 50 JJBA O=C1S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 16156673 SNIANHRLHPTUGH-VGOFMYFVSA-N 469.700 4.953 5 50 JJBA O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 16361970 UQBBPOAPQPVEIJ-UHFFFAOYSA-N 468.916 4.962 5 50 JJBA O=C1[C@H]2[C@@H](c3cc([N+](=O)[O-])ccc3Cl)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1Cl 143596404 WHVBULNDXWUSGW-PWRODBHTSA-N 484.295 4.953 5 50 JJBA O=C(N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 837018 KOCCIUJDRDSPNO-CQSZACIVSA-N 468.518 4.862 5 50 JJBA Cc1ccccc1CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Cl)cc1 1114085 CJDYCBFWKRXUJR-UHFFFAOYSA-N 487.965 4.695 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc2ccccc12 137767855 CFLOBRJPPPOLTK-CCDWMCETSA-N 465.465 4.799 5 50 JJBA CC1CCN(C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=O)c2ccccc2)CC1 13370597 IGFCHNYBNKJNEY-HAVVHWLPSA-N 459.502 4.884 5 50 JJBA CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)c1C 2831056 UFCDEDFLAKIYHQ-UHFFFAOYSA-N 453.476 4.646 5 50 JJBA O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 9971718 JJHBQWPBXMMXSH-UHFFFAOYSA-N 456.955 5.000 5 50 JJBA Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Cl)cc4)cc3C2=O)c([N+](=O)[O-])c1 16247653 OESNTWSHFPXOMM-UHFFFAOYSA-N 450.834 4.714 5 50 JJBA CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1 9971691 STCKKUSVAJXTHX-UHFFFAOYSA-N 474.561 4.958 5 50 JJBA O=c1c([N+](=O)[O-])c(N2CCN(Cc3ccccc3Cl)CC2)c2ccccc2n1-c1ccccc1 20057554 IECFNCXEFOEZSZ-UHFFFAOYSA-N 474.948 4.875 5 50 JJBA CCOc1ccc(Nc2ccc(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nn2)cc1 8918635 UEKKEXDRLSAKFK-UHFFFAOYSA-N 488.470 4.873 5 50 JJBA O=C1[C@H]2[C@@H](c3ccccc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 245247787 XHJPICMRXHBYBX-PWRODBHTSA-N 484.295 4.953 5 50 JJBA CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nn12 2865860 SWEJPOBXPWVMNA-UHFFFAOYSA-N 460.475 4.836 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br 1172085 CFDMUKBKDBAIBB-UHFFFAOYSA-N 458.721 4.536 5 50 JJBA O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1 2064362 FRHDZWLQTMKUPC-UHFFFAOYSA-N 450.501 4.704 5 50 JJBA COc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1OCCC(C)C 2325874554 RCWHNBRJTIHUPD-UHFFFAOYSA-N 476.473 4.526 5 50 JJBA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4scnc4C)CCC[C@@H]3[C@H]2c2scnc2C)n1 8455393 YFKAGNWIGBBXNK-PBDCJFECSA-N 497.606 4.778 5 50 JJBA CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 20214685 UQUNKHCLXLHUIZ-ROUUACIJSA-N 457.943 4.862 5 50 JJBA COc1cc(/C=C2/N=C(SCC(=O)c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)C2=O)ccc1O 26508325 IVKCWYSRUDQPSV-DEDYPNTBSA-N 489.509 4.669 5 50 JJBA CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCCN)c-2cc1C 101149677 JYKRDROHTXPORS-QLTSDVKISA-N 456.590 4.862 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 2882363 NJNWYLIAGHRICD-UHFFFAOYSA-N 469.519 4.582 5 50 JJBA COc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 8682845 QSROUSXTTQNQBZ-UHFFFAOYSA-N 474.473 4.501 5 50 JJBA O=C1[C@H]2[C@@H](c3ccccc3)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1c1cccc2ccccc12 245312042 RYZYEFDVPIMKHC-ISJGIBHGSA-N 465.465 4.799 5 50 JJBA O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1137632 PXUSKFVPVVNFDC-MHZLTWQESA-N 452.466 4.755 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 2983740 JYNASQFYDWMFGS-UHFFFAOYSA-N 462.487 4.929 5 50 JJBA Cc1ccccc1N1C(=O)N=C(O)[C@@](CCc2ccncc2)(Cc2ccccc2[N+](=O)[O-])C1=O 16293668 ITAFIELWQRRAIS-RUZDIDTESA-N 458.474 4.583 5 50 JJBA Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 3000724 IAGCSCBOJBXDGK-UHFFFAOYSA-N 457.486 4.626 5 50 JJBA CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1171088 ITANTYBRALSNJU-MOSHPQCFSA-N 458.426 4.557 5 50 JJBA O=C(Nc1ccc(I)cc1F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 13946260 MXUCSDFDLMXLJD-UHFFFAOYSA-N 452.179 4.851 5 50 JJBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 4081324 BQRIEXJIKQIADY-UHFFFAOYSA-N 450.926 4.823 5 50 JJBA O=c1[nH]c(/C=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c([N+](=O)[O-])c(=O)[nH]1 9235284 UGALBRWHQMXTTC-CSKARUKUSA-N 494.301 4.637 5 50 JJBA Nn1c(Cc2cccs2)nnc1S[C@@H](CC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 45067821 COBSQTFCOGMBNY-SFHVURJKSA-N 471.589 4.720 5 50 JJBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 835159 SFWXRAXGGPTFDB-UHFFFAOYSA-N 480.329 4.736 5 50 JJBA COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC 1151260 KAXSGMHZACFGNE-SXGWCWSVSA-N 479.308 4.611 5 50 JJBA O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F 1772171 ILEMEUMENXFDRT-UHFFFAOYSA-N 485.468 4.658 5 50 JJBA CCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCC)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 34474962 GEIYCUVJOKJQPO-UHFFFAOYSA-N 474.516 4.783 5 50 JJBA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1 229932807 BOPVQJYHDXWSQO-BHDDXSALSA-N 463.877 4.608 5 50 JJBA O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2872169 LIDQSTRUQPFKRS-UHFFFAOYSA-N 484.497 4.716 5 50 JJBA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 1457613560 PLQUADRUFYFMKT-UHFFFAOYSA-N 458.356 4.614 5 50 JJBA Cn1nc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c2ccccc2c1=O 796484 QTEHHIRDOYUQEQ-UHFFFAOYSA-N 483.528 4.751 5 50 JJBA O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 230097633 DICDTGNVYWHHSF-LNEBKTTKSA-N 489.528 4.553 5 50 JJBA O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2Cl)cc1 1078471 KLKPVXCRTMQSNF-UHFFFAOYSA-N 482.901 4.739 5 50 JJBA CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 12860414 HEHDDOKXGITOSS-UHFFFAOYSA-N 454.914 4.902 5 50 JJBA O=c1c2c(-c3ccc(Cl)cc3)csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12 19910705 GUMCIGFPVKTOLM-UHFFFAOYSA-N 492.004 4.522 5 50 JJBA CCn1cc(Br)c(=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)c1 2325862510 WTYYCYOSUMRTAO-UHFFFAOYSA-N 466.357 4.826 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1[N+](=O)[O-] 2064384 WTYPHIDMTQNNRY-UHFFFAOYSA-N 462.487 4.847 5 50 JJBA O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15534290 JEBSQVKZCYZYMB-UHFFFAOYSA-N 451.910 4.790 5 50 JJBA O=C1[C@H]2[C@@H](c3cccc4ccccc34)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 230001852 XDGUDTSUVLEHAK-ISJGIBHGSA-N 465.465 4.799 5 50 JJBA O=C(Nc1ccc(Br)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 1745245 IEEZCVQDOYEXKL-ATVHPVEESA-N 472.320 4.828 5 50 JJBA O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)[C@@H]1CC(c2ccccc2O)=NO1 1126398 DBDBVUNAUKRKJA-NRFANRHFSA-N 453.838 4.878 5 50 JJBA O=C(N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1232889 SURNPISUQPYUSH-AWEZNQCLSA-N 468.518 4.862 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 2917537 WDVOKAUWOHHGOY-UHFFFAOYSA-N 467.503 4.954 5 50 JJBA CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)c1 9891913 YLPZBVVJZRGJAG-UHFFFAOYSA-N 474.561 4.611 5 50 JJBA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 16399495 SDGGTTSTAUCBLF-UHFFFAOYSA-N 482.924 4.819 5 50 JJBA COC(=O)c1c(C(=O)OC)c2ccc3c4ccccc4ccc3n2c1C(=O)c1ccc([N+](=O)[O-])cc1 4542219 XRIKSEVWUHPDQK-UHFFFAOYSA-N 482.448 4.958 5 50 JJBA COc1ccc(Cc2nn3c(=O)cc(-c4ccc([N+](=O)[O-])cc4)[nH]c3c2-c2ccccc2)cc1 100665780 NZGCXXDOJXDJRK-UHFFFAOYSA-N 452.470 4.864 5 50 JJBA CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C(=O)N2CCCCC2)c1C 1067565 LVUVPFZZEGZOMT-UHFFFAOYSA-N 479.942 4.673 5 50 JJBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Oc1ccccc1 2310772 PMOVMKZGWFRXMV-UHFFFAOYSA-N 481.511 4.929 5 50 JJBA CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 2854504 GVENISPTZZWASJ-UHFFFAOYSA-N 474.521 4.744 5 50 JJBA O=C(CSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1)c1cccc([N+](=O)[O-])c1 8765913 AVLIBNQYKXKTJC-RGVLZGJSSA-N 487.493 4.683 5 50 JJBA O=C(c1cc(Br)ccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 12857551 AEVQESFFGXMIEN-UHFFFAOYSA-N 459.127 4.627 5 50 JJBA O=C(OCc1ccc(Br)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1136113 RCFDXPMMSRZGFX-UHFFFAOYSA-N 476.304 4.547 5 50 JJBA COc1cc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3c2Cl)cc([N+](=O)[O-])c1 1217022 IYIREOJCUSVQAA-UHFFFAOYSA-N 481.774 4.831 5 50 JJBA CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCc1ccc([N+](=O)[O-])cc1 2868207 HXXNJFNLWVSIFP-UHFFFAOYSA-N 466.350 4.987 5 50 JJBA COc1ccccc1C(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCCc1c(C)[nH]c2ccccc12 3626663 MRDDKNOHLACGOD-UQQQWYQISA-N 498.539 4.523 5 50 JJBA O=c1c([N+](=O)[O-])c(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2n1-c1ccccc1 20057861 MGFIQNUJGGPZRO-UHFFFAOYSA-N 474.948 4.875 5 50 JJBA CC(C)OC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CCCC2 672975 LJWYEULLQVRKGW-UHFFFAOYSA-N 468.535 4.597 5 50 JJBA CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Br 2884216 DRZCATVQXDIGMQ-CYBMUJFWSA-N 490.383 4.752 5 50 JJBA COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 12855116 OMVMLWOKGHFHQX-UHFFFAOYSA-N 464.478 4.691 5 50 JJBA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1144367 OELQAWFMKSFBJD-UHFFFAOYSA-N 471.469 4.804 5 50 JJBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 9591863 SDVBWDCQCDWPMC-UHFFFAOYSA-N 470.268 4.755 5 50 JJBA CSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)N(C(C)=O)c1ccccc1-2 15016391 MQPNOPZVOCSNRD-JOCHJYFZSA-N 475.486 4.873 5 50 JJBA Cc1cc2nc3s/c(=C\c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)o4)c(=O)n3c2cc1C 2905052 DTYBJMILDCVBSB-JMIUGGIZSA-N 451.891 4.895 5 50 JJBA O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 658441 YQBKRKNTGLNXLW-ISQHLFTMSA-N 465.292 4.778 5 50 JJBA O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 9041694 FCBQSPGMHAYECL-UHFFFAOYSA-N 478.844 4.922 5 50 JJBA O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 9066502 LUAUBCIKPKEMBD-UHFFFAOYSA-N 485.338 4.525 5 50 JJBA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 16115816 LJRSIHJVLQJPMD-WQRHYEAKSA-N 453.838 4.610 5 50 JJBA O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 1196490 MWMSDBTXILTBJR-UHFFFAOYSA-N 487.342 4.535 5 50 JJBA O=C(N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 1232896 WBLRGZVIYGQNNY-CQSZACIVSA-N 468.518 4.862 5 50 JJBA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9891998 LPSJVDXNYYAPAZ-UHFFFAOYSA-N 451.489 4.869 5 50 JJBA Cc1ccc([C@@H](C)NC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 1875327494 XQPXVXRXLNSBEZ-QAPCUYQASA-N 469.542 4.563 5 50 JJBA O=C(N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1232888 SURNPISUQPYUSH-CQSZACIVSA-N 468.518 4.862 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CC(C)(C)SC2 2930278 NVOAXQQBLICGRI-UHFFFAOYSA-N 450.538 4.662 5 50 JJBA Cc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 2984853 ZXTNTIADSXNIST-UHFFFAOYSA-N 453.278 4.745 5 50 JJBA CC1(C)C[C@]2(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@](C)(C1)C[C@]13CC(C)(C)CC(=O)[C@@]21O3 229939731 SBUQBCVVCLTAGI-CXSMSNRLSA-N 486.521 4.916 5 50 JJBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1 22145785 OHBSXNQBSMUKIL-UHFFFAOYSA-N 470.279 4.627 5 50 JJBA COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2860458 PTGMKWLYMFZDEX-QFIPXVFZSA-N 460.417 4.594 5 50 JJBA O=c1/c(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)sc2nc3ccccc3n12 8916319 WEPNADFHLFLTOY-MTJSOVHGSA-N 463.902 4.598 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 1066373 MVLRHLZMRMWXEM-UHFFFAOYSA-N 489.937 4.927 5 50 JJBA O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)Nc1cccc([N+](=O)[O-])c1 2889789 JAIDJODOQMFXHT-UHFFFAOYSA-N 490.522 4.736 5 50 JJBA COc1ccc([N+](=O)[O-])c(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1 8454754 COVLLUYNVHVQII-UHFFFAOYSA-N 453.405 4.811 5 50 JJBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)cc1 9720441 OSZDWHFQSWOPPL-UHFFFAOYSA-N 474.561 4.611 5 50 JJBA C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 101635182 UHJXARPPPLENDZ-CGWFDZAZSA-N 478.504 4.920 5 50 JJBA Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(N)c([N+](=O)[O-])c3)c(F)c2F)cc1[N+](=O)[O-] 3878199 LEMSWPKHKMDOGI-UHFFFAOYSA-N 454.292 4.808 5 50 JJBA COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1 16392522 MDPZCHZNMOHMDZ-UHFFFAOYSA-N 468.513 4.781 5 50 JJBA C[C@H](OC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(Cl)c1 1137786 IPXZINVIOKVWTO-AWEZNQCLSA-N 452.850 4.929 5 50 JJBA COC(=O)c1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 1423453 YXLBORUMTADEQP-UHFFFAOYSA-N 487.390 4.905 5 50 JJBA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 9008978 MJFIRZAJFSRVKZ-UHFFFAOYSA-N 486.359 4.871 5 50 JJBA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(=S)N1c1ccc(Br)cc1 9295896 YTEKKLQIJYAKET-WJDWOHSUSA-N 470.304 4.880 5 50 JJBA COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc([N+](=O)[O-])c1O 19843154 MPHGOCBNRDVBTO-QFIPXVFZSA-N 489.513 4.956 5 50 JJBA CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc12 8833772 PAGZAAOHGOKJET-UHFFFAOYSA-N 484.486 4.789 5 50 JJBA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9714729 CCLUHNAPKUHKDZ-UHFFFAOYSA-N 463.334 4.721 5 50 JJBA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 9934600 MAFIPOYIVXJXIL-UHFFFAOYSA-N 451.489 4.869 5 50 JJBA CCOc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 12844673 PAOFZIKGHHZZGF-UHFFFAOYSA-N 468.413 4.793 5 50 JJBA CC[C@H](NC(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 1476352535 ZXQFCEDPAGOWAV-IBGZPJMESA-N 455.515 4.556 5 50 JJBA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(OC)cc([N+](=O)[O-])c4)cc3n2)cc1 721027 DLCVRNYCZZDHFD-UHFFFAOYSA-N 487.394 4.593 5 50 JJBA COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c([N+](=O)[O-])c1 16381742 WVOQOXHTSLTALT-UHFFFAOYSA-N 496.570 4.712 5 50 JJBA O=[N+]([O-])c1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 95682006 SJSFLMYGIRZXLB-UHFFFAOYSA-N 479.317 4.797 5 50 JJBA Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2865892 VKBMAIDWHJRJJJ-UHFFFAOYSA-N 460.475 4.890 5 50 JJBA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cc([N+](=O)[O-])ccc4Cl)N(c4ccccc4)O[C@H]3C2=O)cc1 229924457 XFPFRSWGFYOUEZ-BHDDXSALSA-N 463.877 4.608 5 50 JJBA O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 8837734 NWKMYMJOQMQWJW-UHFFFAOYSA-N 464.953 4.865 5 50 JJBA COc1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccc(C)cc4)coc3c2)c([N+](=O)[O-])c1 8717314 SMESFRYYGHTRRG-UHFFFAOYSA-N 476.441 4.828 5 50 JJBA COc1ccc(/C=C/C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1170229 LSUJAPPFCNNNAL-VSOVPVGVSA-N 474.513 4.808 5 50 JJBA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 225930621 QKCDBPJBTQIQFW-VAXLJCBTSA-N 490.941 4.546 5 50 JJBA CCN(CC)C(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)OC(C)C)c1C 1200385 ANMHKPYIVBGTGO-UHFFFAOYSA-N 481.958 4.918 5 50 JJBA O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2880205 GVBZJXSMVUWRJL-UHFFFAOYSA-N 464.272 4.883 5 50 JJBA COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OC 1011079 QLUKXFOLSXSHKM-IUXPMGMMSA-N 479.308 4.611 5 50 JJBA CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])c2ccccc21 32629545 YDFKFBMZJINEGG-KNTRCKAVSA-N 452.470 4.591 5 50 JJBA COC(=O)C1=C(C)N(Cc2ccccc2[N+](=O)[O-])C(C)=C(C(=O)OC)C1c1ccccc1Cl 43277615 VAVYUNPZDNCJHH-UHFFFAOYSA-N 470.909 4.742 5 50 JJBA CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 2852906 WLRUVSWEBYICQF-UHFFFAOYSA-N 460.442 4.988 5 50 JJBA CC[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C(=O)Nc1ccc(Br)cc1 2836547 QSUMWMOKPIZQOD-INIZCTEOSA-N 476.356 4.662 5 50 JJBA CCN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1 9891920 NTYAFQMQKICMGZ-UHFFFAOYSA-N 489.963 4.756 5 50 JJBA COc1ccc(C(=O)NCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 1127548 MZUMCTYHTICXMO-UHFFFAOYSA-N 470.865 4.522 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc3cccnc3c2)cc1 1875389618 VIFXZMPWZQEQRZ-UHFFFAOYSA-N 463.475 4.588 5 50 JJBA O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl 1140953 QAYZFBXFCJCSAR-UHFFFAOYSA-N 453.863 4.535 5 50 JJBA CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 2854649 DBLSUXXRQYFTKI-UHFFFAOYSA-N 474.521 4.501 5 50 JJBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 9591817 BKEJMKBDKIRWIE-UHFFFAOYSA-N 470.268 4.755 5 50 JJBA CC(C)CNc1cc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)ccc1[N+](=O)[O-] 9971746 RBFOLROVIQFXMU-UHFFFAOYSA-N 454.615 4.918 5 50 JJBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1NC1CC1 9971762 CJTCBABBEDBDKF-UHFFFAOYSA-N 484.622 4.728 5 50 JJBA O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccc2c(c1)OCO2 2861455 VTIYQKXPEGFNDE-QFIPXVFZSA-N 490.855 4.829 5 50 JJBA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 143594469 VGZLNELXZVIVMT-BHDDXSALSA-N 463.877 4.608 5 50 JJBA Cc1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccccc4F)n3)o2)c([N+](=O)[O-])c1 1012102 KIFPZKKIIYPMJH-UHFFFAOYSA-N 450.426 4.711 5 50 JJBA O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F 1772121 NJUCCELSUFZQJY-UHFFFAOYSA-N 479.439 4.596 5 50 JJBA C[C@@]1(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1(Br)Br 2089701 NISFZVZOWUCPGL-ZDUSSCGKSA-N 461.135 4.553 5 50 JJBA COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2985696 QZJJHMFMGHYVQT-UHFFFAOYSA-N 493.364 4.616 5 50 JJBA Cc1cc(F)c(F)c(C(=O)N2CCN(c3cc(N4CCCCC4)c(F)cc3[N+](=O)[O-])CC2)c1Cl 8857504 HDIQYDNMYUHVAT-UHFFFAOYSA-N 496.917 4.927 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1[N+](=O)[O-] 2064393 BCLOTIXTALKHFL-UHFFFAOYSA-N 462.487 4.847 5 50 JJBA CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 12379997 ZDUPZKQGZXMQCS-HYARGMPZSA-N 479.876 4.583 5 50 JJBA O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C(F)(F)F)o2)C2CC2)ccc1O 1875334773 DSEULQVBIJOCIF-UHFFFAOYSA-N 482.436 4.933 5 50 JJBA CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1[N+](=O)[O-] 5949420 KVZUKSQLLQFRFN-UHFFFAOYSA-N 488.544 4.517 5 50 JJBA Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1121457 BZVSGPWYNCBSKZ-UHFFFAOYSA-N 467.547 4.861 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc2ccccc2c1 226984288 HTMKSIUKRBNEIZ-CCDWMCETSA-N 465.465 4.799 5 50 JJBA O=c1c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2n1OCc1ccc(Oc2ccccc2)cc1 2319370 JGFANVQDSLJLMG-UHFFFAOYSA-N 481.464 4.631 5 50 JJBA COc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(F)cc1 6862262 NMNYJBBMWWLNBC-JAIQZWGSSA-N 462.433 4.974 5 50 JJBA CC(C)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 8450149 HSLVFRMIRFIYRC-KRWDZBQOSA-N 450.278 4.551 5 50 JJBA Cc1nn(Cc2cccc(C(=O)Nc3ccn(C45CC6CC(CC(C6)C4)C5)n3)c2)c(C)c1[N+](=O)[O-] 8455645 OUSJZIOSBQOVFN-UHFFFAOYSA-N 474.565 4.831 5 50 JJBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 9891962 SCCYTPOGGJKLCM-UHFFFAOYSA-N 460.578 4.794 5 50 JJBA CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(Cn5nc(C)c([N+](=O)[O-])c5C)nc4c23)C1 2799843 WIQQDNDQGUVFFN-AWEZNQCLSA-N 453.572 4.650 5 50 JJBA O=C(OCc1ccc(Br)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 1121527 BWKNZQBVVYSMCD-UHFFFAOYSA-N 481.258 4.515 5 50 JJBA COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)CC[C@@H]3O)ccc(O)c12 1775953732 LBNWMCYHIWPXDJ-XMYANBKOSA-N 450.487 4.732 5 50 JJBA COC(=O)C1=CN(c2cccc(C(F)(F)F)c2)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 1122750 LLPQYWVKDOUXMY-UHFFFAOYSA-N 476.407 4.640 5 50 JJBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Br)cc2Br)c([N+](=O)[O-])c1 96908933 FHFGBCWCPLINGR-UHFFFAOYSA-N 462.010 4.680 5 50 JJBA CN([C@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1875306527 JGDIQHKQFOPGNU-HXUWFJFHSA-N 461.337 4.767 5 50 JJBA COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2Cl)cc1 15821504 QBNORQDSPHUTMI-KGENOOAVSA-N 451.866 4.666 5 50 JJBA O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 16447404 QCIXTXNQFKPNMD-UHFFFAOYSA-N 460.515 4.960 5 50 JJBA C[C@@H](OC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1cccc(Cl)c1 1112648 QRWNWXACTXMNID-CQSZACIVSA-N 452.850 4.929 5 50 JJBA COc1ccc(Nc2c(C(=O)N3CC(O)=Nc4ccccc43)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4254724 ZQKRNENVTCTQSM-UHFFFAOYSA-N 463.406 4.504 5 50 JJBA O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc([N+](=O)[O-])cc1 1146031 LVQRAIMCGUXGFO-UHFFFAOYSA-N 466.302 4.955 5 50 JJBA COc1ccc(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 721788 XEFMJFJTBDGMJD-HNNXBMFYSA-N 453.109 4.795 5 50 JJBA CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 2859465 OHTOSKJOHCZVIW-UHFFFAOYSA-N 481.515 4.550 5 50 JJBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1cn(-c2ccccc2)nc1-c1ccccc1 16347278 NRSNXHRVHUNITK-UHFFFAOYSA-N 459.531 4.943 5 50 JJBA COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCc2ccco2)cc1 8915616 YJVVGHZIMQORCI-HAHDFKILSA-N 487.468 4.544 5 50 JJBA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1 12381401 GOTMKWFIXPOEEL-HNNXBMFYSA-N 470.595 4.759 5 50 JJBA CCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1-2 1160451 QGHAQMSGDHVWRN-MRXNPFEDSA-N 460.313 4.824 5 50 JJBA CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)c1 9232452 ZNZQURJNVPDQPY-UHFFFAOYSA-N 488.588 4.999 5 50 JJBA O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2688203 HJEWSBOXLHYCKG-AWEZNQCLSA-N 468.080 4.695 5 50 JJBA COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC 239284874 CHRJHEBVQLQVCU-RDPSFJRHSA-N 476.445 4.763 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 101211810 AEPISOCKPUUWHQ-KDURUIRLSA-N 496.951 4.562 5 50 JJBA CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)c1cccc([N+](=O)[O-])c1 1126754 LDBJYXQMVMOOMO-UHFFFAOYSA-N 473.437 4.921 5 50 JJBA biogenic COc1ccc(NC(=O)c2ccc(COc3ccc(I)cc3)o2)c([N+](=O)[O-])c1 13882218 ISHOATDLVBUHTQ-UHFFFAOYSA-N 494.241 4.632 5 50 JJBA Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1 1143235 HAZFMRSXGODRCK-UHFFFAOYSA-N 469.567 4.773 5 50 JJBA Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 1208964 BVLHPYVDZGXOQK-UHFFFAOYSA-N 480.274 4.719 5 50 JJBA Cc1cc(C(=O)c2ccc(Br)cc2)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 1196940 FJNZZCJLQASAFV-UHFFFAOYSA-N 475.320 4.698 5 50 JJBA COc1ccc(Nc2nnc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c3ccccc23)cc1 4172272 IUTTWHZWJKXQAU-UHFFFAOYSA-N 457.490 4.794 5 50 JJBA Cc1nc(-c2ccc(Br)cc2)c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1C 2325862501 WLSHUUJOBUHBBU-UHFFFAOYSA-N 465.254 4.526 5 50 JJBA CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)cc1 8837949 FOLXHNMAONITEH-UHFFFAOYSA-N 458.562 4.774 5 50 JJBA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cc([N+](=O)[O-])ccc4Cl)N(c4ccccc4)O[C@H]3C2=O)c(C)c1 229956453 TXRMFAGOPOCSLU-YTFSRNRJSA-N 477.904 4.916 5 50 JJBA COc1cc(NC(=O)c2cnn3c2N[C@@H](c2ccc(F)cc2)C[C@@H]3C(F)(F)F)cc([N+](=O)[O-])c1 866048 QQDILAOUAITARW-QZTJIDSGSA-N 479.390 4.852 5 50 JJBA CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)OC(C)C)c1C 995716 YJJIHDQRRXKFTB-UHFFFAOYSA-N 461.540 4.573 5 50 JJBA COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)cc1[N+](=O)[O-] 8835894 JPYUBQYXJXOINI-UHFFFAOYSA-N 496.497 4.816 5 50 JJBA O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 8385468 NMJUOBYIHXYVEF-UHFFFAOYSA-N 464.953 4.865 5 50 JJBA CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)cc1 9891963 WKKKYOKJOUDOKS-UHFFFAOYSA-N 488.588 4.999 5 50 JJBA Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4Cl)[C@H]3C2=O)cc1 245245199 BOPVQJYHDXWSQO-YPAWHYETSA-N 463.877 4.608 5 50 JJBA COC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2101649 KAZMKEVEXRSOMA-UHFFFAOYSA-N 455.448 4.887 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C(=O)N(CC)CC)c1C 1111886 NQXMBMDHBPIKQC-UHFFFAOYSA-N 467.931 4.529 5 50 JJBA CC1(C)Cc2nc3nc(SCc4ccc([N+](=O)[O-])cc4)n(-c4ccccc4)c(=O)c3cc2CO1 1312887 APLJGPZEZYOUOD-UHFFFAOYSA-N 474.542 4.833 5 50 JJBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c1 13153191 KZOUIIVNAPOKKU-UHFFFAOYSA-N 475.523 4.543 5 50 JJBA CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1160770 XUTNMQURCXKFJB-KGENOOAVSA-N 488.452 4.566 5 50 JJBA Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)c1 16448378 DURHGIAAOCHCSU-UHFFFAOYSA-N 473.938 4.699 5 50 JJBA CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1Br 2884217 DRZCATVQXDIGMQ-ZDUSSCGKSA-N 490.383 4.752 5 50 JJBA O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1 3463986 KXHRKTLDOJQCMF-JAIQZWGSSA-N 493.269 4.921 5 50 JJBA O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1 12360250 CJHOFXQXCOUHHK-UHFFFAOYSA-N 484.390 4.509 5 50 JJBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 16361215 TVFRXPYUJMOTQK-UHFFFAOYSA-N 480.329 4.736 5 50 JJBA CCOC(=O)c1c(C(=O)OCC)c2ccc3ccccc3n2c1C(=O)c1ccc([N+](=O)[O-])cc1 19800736 LNBLCOQXHPTKNK-UHFFFAOYSA-N 460.442 4.585 5 50 JJBA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 16361612 DCGINFZRVDKEAO-IBGZPJMESA-N 495.410 4.606 5 50 JJBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1135852 IJNZDVZFNFSPEP-UHFFFAOYSA-N 450.394 4.699 5 50 JJBA O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)ccc1Cl 4276703 ZJTMRWPMAKTXOD-UHFFFAOYSA-N 464.858 4.512 5 50 JJBA COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 1212238 HODKJEAEWUPLSL-UHFFFAOYSA-N 455.430 4.850 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)cc1[N+](=O)[O-] 2982487 MFFLMGYDTPYJBS-UHFFFAOYSA-N 492.513 4.861 5 50 JJBA CCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 9805893 FSVZBCYBEQDCAF-SFHVURJKSA-N 450.524 4.807 5 50 JJBA O=C(Nc1ccc(I)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9850571 ASJWBMVUIIZOOV-UHFFFAOYSA-N 471.682 4.705 5 50 JJBA Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N2CCCCC2)cc1 3066817 FJFIMVPOGKEPLM-HAVVHWLPSA-N 459.502 4.947 5 50 JJBA Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1165999 FYVREVGMPQTGQB-UHFFFAOYSA-N 459.911 4.918 5 50 JJBA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 658438 YQBKRKNTGLNXLW-YQORSWRPSA-N 465.292 4.778 5 50 JJBA CN1CCN(c2nn3c(=O)c4c(-c5ccc(Cl)cc5)csc4nc3c3ccccc23)CC1 944640 UUDUHNLKEINYGD-UHFFFAOYSA-N 461.978 4.530 5 50 JJBA CCCCOc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)OCc2ccco2)cc1 8687587 ROJRFTFRFGEYAP-KQWNVCNZSA-N 464.474 4.881 5 50 JJBA aggregator Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 22064955 OSXCLRFZFOUKCF-UHFFFAOYSA-N 461.305 4.827 5 50 JJBA Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c([N+](=O)[O-])c1 14943630 UOWSYDNNPCVQGP-UHFFFAOYSA-N 460.519 4.585 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 101209391 HKGKKTTYIZRNNM-OALUTQOASA-N 498.967 4.786 5 50 JJBA CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1CC 2852950 LDGCWASMLFDAIK-UHFFFAOYSA-N 485.566 4.532 5 50 JJBA Cc1ccc(C)c(N[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 2688207 PHBOKPFUTHCAOP-MRXNPFEDSA-N 461.689 4.658 5 50 JJBA COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N(C)C4 3873011 QTYMDECKVKSGSM-YMUMJAELSA-N 495.535 4.651 5 50 JJBA in-vitro Cc1n[nH]c(C)c1[C@@H]1c2cc(Br)ccc2O[C@H](C(Cl)(Cl)Cl)[C@@H]1[N+](=O)[O-] 20601836 JRZVEZYANBADJF-MJBXVCDLSA-N 469.550 4.697 5 50 JJBA O=C(O)/C(=C/c1ccccc1[N+](=O)[O-])c1cccc(/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O)c1 43761407 GVPWNMIBAOVWOU-IWGRKNQJSA-N 460.398 4.753 5 50 JJBA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12 9489277 PNXSAEIWSQAUSD-ZCOIRKDISA-N 454.482 4.564 5 50 JJBA Cc1ccc(CNC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)cc1 2836542 CXOAJXSOFXDNKB-UHFFFAOYSA-N 473.558 4.619 5 50 JJBA CCOc1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c([N+](=O)[O-])c1 8454752 XPIPNLLZGWSXDR-UHFFFAOYSA-N 453.405 4.893 5 50 JJBA O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8914018 HTLMJKVRLZXORX-UHFFFAOYSA-N 460.515 4.960 5 50 JJBA O=C1CSC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587498 VQEHBLGYANQWEA-NRFANRHFSA-N 463.515 4.732 5 50 JJBA in-vitro Cc1onc(C(=O)N2c3ccnn3[C@H](C(F)(F)F)C[C@@H]2C2CC2)c1COc1ccc([N+](=O)[O-])cc1 13641815 JAZAGBWDPKZVGG-MSOLQXFVSA-N 491.426 4.599 5 50 JJBA Cc1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])cc1C 18279956 LDOVURRBGUVODD-SIQOOTDXSA-N 452.510 4.956 5 50 JJBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 658442 YQBKRKNTGLNXLW-ZRDDSIGQSA-N 465.292 4.778 5 50 JJBA CN(C(=O)CSc1nnc(Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1 1108321 JRZSNQRPLNPBKM-UHFFFAOYSA-N 459.531 4.521 5 50 JJBA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\N=C(c3ccccc3)OC2=O)cc1[N+](=O)[O-] 1190325 XUXNHRPXBPOBRU-STZFKDTASA-N 466.453 4.801 5 50 JJBA CCCCCC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl 19800035 MKYASRNQBRZPFV-CYBMUJFWSA-N 476.213 4.927 5 50 JJBA O=C(Oc1c(Br)cc(Br)c2cccnc12)c1ccc([N+](=O)[O-])cc1 43191203 NWEKQCZNRLVPGM-UHFFFAOYSA-N 452.058 4.887 5 50 JJBA O=C(OCc1nc2ccccc2c2ccccc12)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 726204668 KTNCCWHXANLZKX-IBGZPJMESA-N 464.525 4.860 5 50 JJBA CCc1ccc(OCn2cc(NC(=O)c3ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)cc3)cn2)cc1 2809764 PNFWAVHAGLJYAX-UHFFFAOYSA-N 480.912 4.541 5 50 JJBA COCCCNc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1[N+](=O)[O-] 16448453 GXZWFSZAJYIMQM-UHFFFAOYSA-N 462.506 4.572 5 50 JJBA O=C(N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 1232148 MTGFLIMYEGBELY-CQSZACIVSA-N 482.176 4.661 5 50 JJBA CCOC(=O)c1c(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])sc2c1CCC2 8454526 DELYGQHFCAJADA-UHFFFAOYSA-N 484.578 4.696 5 50 JJBA CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 16361338 SDBUIUFGJYXQGH-UHFFFAOYSA-N 469.567 4.948 5 50 JJBA Cc1ccc(C(=O)Nc2ccc(I)cc2C(F)(F)F)cc1[N+](=O)[O-] 2850548 ZXJRDILSFVVDFH-UHFFFAOYSA-N 450.154 4.779 5 50 JJBA O=C(CCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl 2983863 DEEIAQMUGVNOGG-UHFFFAOYSA-N 459.669 4.700 5 50 JJBA Cc1nn([C@H](C)c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2730981 DVHMZZVEMMCUDA-CYBMUJFWSA-N 458.935 4.511 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 3017610 IECBSXRDPZUGTE-UHFFFAOYSA-N 489.937 4.927 5 50 JJBA O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16448776 QTGYATWIZKUHIO-UHFFFAOYSA-N 474.542 4.638 5 50 JJBA O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 2674966 IKOGAJQKVRNTMC-JOCHJYFZSA-N 474.498 4.663 5 50 JJBA O=C1c2cccc3c(N4CCOCC4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc12 8682328 UGPPGDBNEYXTLQ-UHFFFAOYSA-N 453.454 4.538 5 50 JJBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ccc2[N+](=O)[O-])n1 8666796 RDRFKINNPACGJA-UHFFFAOYSA-N 461.566 4.657 5 50 JJBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1 9971688 IKYZJPWSCWAWRM-UHFFFAOYSA-N 486.572 4.519 5 50 JJBA Cc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl 4583640 IVIMTMUYJBILQT-OAHLLOKOSA-N 496.203 4.969 5 50 JJBA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)N(c4ccccc4)O[C@H]3C2=O)cc1 229899047 JUJYJBMCGMULIJ-BHDDXSALSA-N 463.877 4.608 5 50 JJBA Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCc2ccco2)cc1 1181960 HYVAEEJREBDHQA-PXLXIMEGSA-N 471.469 4.844 5 50 JJBA Cc1ccccc1N1C(=O)N=C(O)[C@](CCc2ccncc2)(Cc2ccccc2[N+](=O)[O-])C1=O 16293670 ITAFIELWQRRAIS-VWLOTQADSA-N 458.474 4.583 5 50 JJBA COc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 29747794 MXXSUVHJNGTHQX-UHFFFAOYSA-N 464.346 4.897 5 50 JJBA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125322 SNHSMRVYQBXDLI-UHFFFAOYSA-N 463.365 4.854 5 50 JJBA CCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(Br)cc1-2 2823814 VTQHHAWITAWTTO-HNNXBMFYSA-N 464.301 4.808 5 50 JJBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 1194179 NDGQRFWRCKNOKH-UHFFFAOYSA-N 480.329 4.736 5 50 JJBA O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 8816625 NZARZWUSBFCXLZ-UHFFFAOYSA-N 495.377 4.932 5 50 JJBA COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424275 OBUZWAURZDHBRA-UHFFFAOYSA-N 453.476 4.564 5 50 JJBA CN([C@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 1875306507 ISXISNRWYSAJLH-HXUWFJFHSA-N 479.327 4.907 5 50 JJBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(I)cc1 865543 RSDKILXAYMXRGP-UHFFFAOYSA-N 486.221 4.792 5 50 JJBA Cc1onc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 73278737 VIBHJPDPEVVDTB-UHFFFAOYSA-N 475.332 4.745 5 50 JJBA in-vitro COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] 2979351 WBGFFWFUMWRWNX-UHFFFAOYSA-N 480.527 4.713 5 50 JJBA CCOC(=O)c1c(NC(=O)CN[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)sc2c1CCCC2 2840302 CHMKWJWVCGWKPF-LJQANCHMSA-N 496.589 4.799 5 50 JJBA CC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(=O)COc2ccccc2)ccc2ccccc12 2873277 ORCBVQAAUZQMLB-MHZLTWQESA-N 470.481 4.958 5 50 JJBA COc1ccc(-c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc3n2)c(OC)c1 16225914 UYFMJZMDLQGDEE-UHFFFAOYSA-N 498.539 4.790 5 50 JJBA CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 19800091 QOVWGYLCPILORX-JOCHJYFZSA-N 477.538 4.900 5 50 JJBA O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 226077927 PPCJZFVOOACGCM-QYOFDKIESA-N 490.941 4.546 5 50 JJBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 1875358412 VJZRJUKYKOTRFH-WAIKUNEKSA-N 466.459 4.508 5 50 JJBA O=[N+]([O-])c1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)ccc1O 15016361 LQJHYOKXLDIOOS-NRFANRHFSA-N 459.487 4.948 5 50 JJBA CCCCOc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccccc2)cc1 22258705 PQUFFMVRPADFGW-XIEYBQDHSA-N 473.529 4.861 5 50 JJBA Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccccc3F)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 12461813 IRLPEXUDIHOGEH-MHWRWJLKSA-N 469.450 4.700 5 50 JJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 55526913 UIMYYQAJOIYKII-UHFFFAOYSA-N 480.952 4.588 5 50 JJBA Cn1ncc(I)c1C(=O)Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 653294 YFLHIBHZYOPCKP-UHFFFAOYSA-N 498.664 4.631 5 50 JJBA Cc1ccc(NC(=S)N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 1446595 ZJFJSWKMJGGKKM-INIZCTEOSA-N 475.785 4.624 5 50 JJBA Cc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1[N+](=O)[O-] 2879621 MZYYADSEAJYZJT-UHFFFAOYSA-N 457.899 4.829 5 50 JJBA CCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2ccc(Cc3ccc([N+](=O)[O-])cc3)cc12 19912522 FWPUXEPLJQQOKB-UHFFFAOYSA-N 458.470 4.855 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 227236048 GJVYHXULAHPFTM-PCCBWWKXSA-N 484.295 4.953 5 50 JJBA Cc1cc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 1130238 SYZKDNCPYGDIPI-UHFFFAOYSA-N 478.936 4.771 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)cc1[N+](=O)[O-] 2064380 IXWNMEHROJVIHF-UHFFFAOYSA-N 493.364 4.616 5 50 JJBA COC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2C)c1C 2101754 VMYGBJLEKVAUDX-UHFFFAOYSA-N 483.502 4.573 5 50 JJBA CCNC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1[N+](=O)[O-] 43681889 KSDISINTEOCJOF-QHCPKHFHSA-N 459.502 4.701 5 50 JJBA CC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1148339 OQJNEEDPUOMHBF-UHFFFAOYSA-N 453.520 4.552 5 50 JJBA CCOC(=O)c1c(NC(=O)CN[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)sc2c1CCCC2 2840301 CHMKWJWVCGWKPF-IBGZPJMESA-N 496.589 4.799 5 50 JJBA O=C(N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccc(Br)cc1 1232897 WBLRGZVIYGQNNY-AWEZNQCLSA-N 468.518 4.862 5 50 JJBA CCCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C(=O)OCC)c1C 2101696 XPBLTOIZLSMSCA-UHFFFAOYSA-N 454.888 4.614 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc2ccccc12 200474657 XGFJOELKMOGKSN-CCDWMCETSA-N 465.465 4.799 5 50 JJBA O=[N+]([O-])c1ccc(C[N+]2(CCC[N+]3(Cc4ccc([N+](=O)[O-])cc4)CCCC3)CCCC2)cc1 5030684 JKGZMRFVGSJLSK-UHFFFAOYSA-N 454.571 4.815 5 50 JJBA CCOC(=O)c1sc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C(=O)OCC)c1C 2870661 OOBLBMCWZJIKIV-UHFFFAOYSA-N 472.475 4.830 5 50 JJBA O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 3096270 SQDHVHXSRZMCTQ-AWEZNQCLSA-N 467.534 4.896 5 50 JJBA CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccc([N+](=O)[O-])cc2)S1 9076523 CXGRLIJKKRRBSS-QFIPXVFZSA-N 484.559 4.710 5 50 JJBA COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCc2c(C)[nH]c3ccccc23)cc1 3619282 QKJLKMGHTXTEQI-ONUIUJJFSA-N 498.539 4.523 5 50 JJBA COc1cc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1218997 APMJNZBSKWKRDS-NRFANRHFSA-N 461.474 4.612 5 50 JJBA CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2910570 TWSPRKKOHCESJU-JAIQZWGSSA-N 476.416 4.696 5 50 JJBA CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 3877700 MOFYMQHEJRYZDT-UHFFFAOYSA-N 454.460 4.780 5 50 JJBA O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1[N+](=O)[O-] 55526925 YKGNWHKNDIJPHI-UHFFFAOYSA-N 450.926 4.823 5 50 JJBA CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1 9008878 LVFBSTGNLUQOSD-UHFFFAOYSA-N 459.550 4.688 5 50 JJBA O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccc(I)cc1 16667057 CZYXNCFOGKOOFC-UHFFFAOYSA-N 453.114 4.870 5 50 JJBA COc1ccccc1-c1cc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])c3nonc23)c2ccccc2n1 20219909 YFCSLXYZKHIFRO-UHFFFAOYSA-N 499.483 4.648 5 50 JJBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 15769197 UKJWEQCKBDYNBP-UHFFFAOYSA-N 480.329 4.736 5 50 JJBA CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 16381768 GMRRJJTZERCKTD-INIZCTEOSA-N 479.489 4.660 5 50 JJBA O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)N1CCc2ccccc21 1143558 YDTBSMPKEPKHKD-UHFFFAOYSA-N 471.542 4.583 5 50 JJBA Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 8951994 OOQVMCXPTXVCHZ-UHFFFAOYSA-N 496.829 4.616 5 50 JJBA Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 16361199 PPSKXEPVHHZSQT-UHFFFAOYSA-N 467.547 4.861 5 50 JJBA O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1167297 LLOMEWNIFRSMLW-UHFFFAOYSA-N 494.356 4.731 5 50 JJBA CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 16381766 GMRRJJTZERCKTD-MRXNPFEDSA-N 479.489 4.660 5 50 JJBA O=C1Nc2ccc(Br)cc2/C1=C\c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 32620565 IOWCUTPEUWVSGE-LDADJPATSA-N 489.285 4.549 5 50 JJBA O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 659664 MAHDQKDIOOMUCP-UHFFFAOYSA-N 494.356 4.731 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 1117723 WMGZKLSOPNOBIG-SFHVURJKSA-N 467.547 4.514 5 50 JJBA CCOc1ccccc1/C=C1\CN(S(=O)(=O)c2ccc(C)cc2)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21 12412408 LNHRZDMWWICZNO-LDADJPATSA-N 495.513 4.960 5 50 JJBA O=C1c2ccccc2C(=O)N1CCCCCC(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 1782108 NICYHDLIRGQKSW-UHFFFAOYSA-N 471.513 4.985 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCCN3C(=O)c4ccccc4C3=O)c([N+](=O)[O-])c2)cc1Cl 16399803 XVONZTUIOGINBS-UHFFFAOYSA-N 492.919 4.907 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Br 2980783 QZLUSJHEWVDPOX-UHFFFAOYSA-N 493.364 4.616 5 50 JJBA CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 20214681 UQUNKHCLXLHUIZ-ZWKOTPCHSA-N 457.943 4.862 5 50 JJBA COc1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 976241 OQXJRQCTMJUERH-UHFFFAOYSA-N 461.503 4.582 5 50 JJBA CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)cc1[N+](=O)[O-] 1138864 GXQJQSKDRMOTNX-UHFFFAOYSA-N 451.870 4.942 5 50 JJBA COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 9261157 MQUQTRSDMJOHST-LZYBPNLTSA-N 482.392 4.615 5 50 JJBA Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 2821903 JRNOKIGTMRWDKS-PXLXIMEGSA-N 462.433 4.845 5 50 JJBA O=C(Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1)[C@H]1CC(c2cccc(Br)c2)=NO1 1126308 AGHJUYOUESIPPO-OAQYLSRUSA-N 498.289 4.987 5 50 JJBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O 2880805 UMIOQUJYTGMTEJ-UHFFFAOYSA-N 470.268 4.755 5 50 JJBA O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21 845320 JYATYPXAMLBBOF-UHFFFAOYSA-N 467.407 4.916 5 50 JJBA Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])ccc2Cl)cc1C 16212872 YNHAPUOUZOLUKT-UHFFFAOYSA-N 459.911 4.918 5 50 JJBA CCCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1OC 16383888 WKOUUWDNSNJXGV-UHFFFAOYSA-N 454.527 4.975 5 50 JJBA CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4cc([N+](=O)[O-])ccc4Cl)N(c4ccccc4)O[C@H]3C2=O)cc1 229938640 PTRLPRDADMWKPV-YTFSRNRJSA-N 493.903 4.698 5 50 JJBA O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(F)cc12 230099316 RLNBELBECOHQEU-ONJIFJTESA-N 489.528 4.553 5 50 JJBA COc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)cc([N+](=O)[O-])c1 1005622 IDJAXBLFVMVHNO-UHFFFAOYSA-N 453.405 4.811 5 50 JJBA O=[N+]([O-])c1ccc(CSc2nnc(COc3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 2840737 VAAOXKKNASIQED-UHFFFAOYSA-N 462.487 4.776 5 50 JJBA O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2746881 LWXIRZHGAXLTFI-IBGZPJMESA-N 457.273 4.813 5 50 JJBA COc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 2764391 QZPMAKPMHXFVBU-UHFFFAOYSA-N 465.691 4.516 5 50 JJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)c1 8868062 LINFBAOBSWGIKK-UHFFFAOYSA-N 483.590 4.732 5 50 JJBA CCCCN(CCCC)C(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 104209876 DYIYMJKPZBAFAL-UHFFFAOYSA-N 470.438 4.665 5 50 JJBA CCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1-2 1160396 OOTSPTDYHSQICF-INIZCTEOSA-N 460.313 4.824 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 2887328 DVIWUNBRPATVAV-UHFFFAOYSA-N 469.519 4.582 5 50 JJBA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8855059 DNFDWTMOTPLXHG-UHFFFAOYSA-N 461.305 4.827 5 50 JJBA CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@H](/C=C/c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC 8892141 ODFYNEHUMNTCFD-AQLYWYLKSA-N 471.893 4.503 5 50 JJBA CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1 8931585 QKRGUFBLDZJKEM-UHFFFAOYSA-N 474.561 4.957 5 50 JJBA COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 8432214 NZFGHFZLGLOYQK-VWLOTQADSA-N 487.516 4.825 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 16309766 WEXRTXOAFBLIHK-UHFFFAOYSA-N 497.573 4.869 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCN3C(=O)c4ccccc4C3=O)c([N+](=O)[O-])c2)cc1Cl 16319420 ZBPCBOAYQLFDJX-UHFFFAOYSA-N 478.892 4.517 5 50 JJBA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 225930583 QKCDBPJBTQIQFW-JIQLLMHVSA-N 490.941 4.546 5 50 JJBA O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 1066500 FZBXHRHRYRUOEQ-HSZRJFAPSA-N 471.296 4.909 5 50 JJBA O=C(CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1)NC1CCCCC1 2999391 YEGFIARDOROQLW-UHFFFAOYSA-N 470.576 4.998 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 19925270 FMFOMWZXFOPUNN-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1 1217898 STIVGKUUNCKLGT-UHFFFAOYSA-N 466.295 4.960 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 2982198 KZOCTMRTSBHCRH-UHFFFAOYSA-N 484.921 4.636 5 50 JJBA Cc1cccc(N2C(=O)N=C(O)[C@](CCc3ccncc3)(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 16293406 AKUSGWWYFQHBJF-VWLOTQADSA-N 458.474 4.583 5 50 JJBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)cc1 2804202 IICPMAHICHHVPA-UHFFFAOYSA-N 461.714 4.601 5 50 JJBA O=C1Nc2ccc(Br)cc2/C1=C\c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 32625306 BVORJXNVLBIIQR-LDADJPATSA-N 489.285 4.549 5 50 JJBA CCCc1oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C(=O)OCC 4144361 ZLKGTDAQXQXEBO-UHFFFAOYSA-N 466.899 4.924 5 50 JJBA COc1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c([N+](=O)[O-])c1 8717320 PSZGHYGYANMJOG-UHFFFAOYSA-N 460.442 4.703 5 50 JJBA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 9489274 PNXSAEIWSQAUSD-PGAZUGQPSA-N 454.482 4.564 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 16399891 AEPISOCKPUUWHQ-RTBURBONSA-N 496.951 4.562 5 50 JJBA CCc1sc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2CC)cc1Br 20191232 FGSGJGOKMVVQLO-UHFFFAOYSA-N 496.412 4.990 5 50 JJBA O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8450974 HCHSJKPCEMBVHZ-UHFFFAOYSA-N 482.496 4.501 5 50 JJBA O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 1066498 FZBXHRHRYRUOEQ-QHCPKHFHSA-N 471.296 4.909 5 50 JJBA O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 9934611 FSUQAUFQVZMQNV-UHFFFAOYSA-N 456.502 4.916 5 50 JJBA O=C1[C@H]2[C@@H](c3ccc(Cl)cc3Cl)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 137792104 FBYSAYMXYXOGMA-PWRODBHTSA-N 484.295 4.953 5 50 JJBA O=C1[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc2ccccc12 200474694 CFLOBRJPPPOLTK-ISJGIBHGSA-N 465.465 4.799 5 50 JJBA COc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)cc1Cl 1067005 JOUGDYJOGBMWHL-UHFFFAOYSA-N 461.883 4.652 5 50 JJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 9668866 AQVDGWYRXTWODO-FMIVXFBMSA-N 490.947 4.863 5 50 JJBA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8814642 OMKOMBZKXRCQCI-GFCCVEGCSA-N 458.729 4.671 5 50 JJBA O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 3460435 ZDZNWRUBYPXKLS-UHFFFAOYSA-N 477.904 4.971 5 50 JJBA CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cc2ccccc2oc1=O 1783164 FIYAEHDZUWBHSA-UHFFFAOYSA-N 464.455 4.859 5 50 JJBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 1875358409 VJZRJUKYKOTRFH-HJPURHCSSA-N 466.459 4.508 5 50 JJBA O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1Cl 1173687 OMRXYEWNFISSRB-UHFFFAOYSA-N 454.895 4.627 5 50 JJBA O=C1Nc2ccc(Br)cc2/C1=C\c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] 32620547 ZMAVLJHTTSQGPA-FOWTUZBSSA-N 489.285 4.549 5 50 JJBA CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 823481 LFHRZSQXOCTFGJ-UHFFFAOYSA-N 450.491 4.873 5 50 JJBA biogenic O=[N+]([O-])c1ccc(OCc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)cc1 2804431 ACCSEHVXVOXXHU-UHFFFAOYSA-N 463.457 4.617 5 50 JJBA CCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1-2 1160452 QGHAQMSGDHVWRN-INIZCTEOSA-N 460.313 4.824 5 50 JJBA CC[C@@H](Sc1nnc(NC(=O)CCc2ccccc2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 2849201 JMOFJUWQLSXEDE-QGZVFWFLSA-N 471.564 4.527 5 50 JJBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NC2CCCCC2)c(Cl)cc1Cl 8442618 FNXSPZFQJPZEDM-UHFFFAOYSA-N 472.350 4.765 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 226993571 BNRPMTUMQDZPAK-PCCBWWKXSA-N 484.295 4.953 5 50 JJBA COC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(OC)cc1 668876 ZGYRHEYZHLVALU-UHFFFAOYSA-N 456.476 4.688 5 50 JJBA COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1[N+](=O)[O-] 4149981 OZWRWQUMARQCKZ-UHFFFAOYSA-N 466.471 4.823 5 50 JJBA CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(OCC)c1OCC 4290627 UIXDNEJZXOZKLS-UHFFFAOYSA-N 453.289 4.806 5 50 JJBA Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCc2c(C)[nH]c3ccccc23)cc1 8869961 UOMAIBDYGSLVHC-ONUIUJJFSA-N 482.540 4.823 5 50 JJBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 16361610 DCGINFZRVDKEAO-LJQANCHMSA-N 495.410 4.606 5 50 JJBA O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 8916814 CSFWLTZNOMTVNM-KRXBUXKQSA-N 461.349 4.838 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccccc1Cl 137907493 WHVBULNDXWUSGW-PCCBWWKXSA-N 484.295 4.953 5 50 JJBA O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8904585 UALXJCJUYMRXHN-UHFFFAOYSA-N 489.915 4.984 5 50 JJBA CCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(Br)cc1-2 2823813 VTQHHAWITAWTTO-OAHLLOKOSA-N 464.301 4.808 5 50 JJBA CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 5946027 PCKXVINIOPRLHA-UHFFFAOYSA-N 499.999 4.549 5 50 JJBA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 12380540 LULPGXARXIPYLL-MRVPVSSYSA-N 493.166 4.945 5 50 JJBA COc1ccc(C(=O)Nc2nnc(SCc3c(Cl)cccc3[N+](=O)[O-])s2)cc1OC 2836884 UQEUKNNFQUXPKB-UHFFFAOYSA-N 466.928 4.662 5 50 JJBA O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 9281459 LXSXFHNTPZVYNR-UHFFFAOYSA-N 461.396 4.963 5 50 JJBA O=C(c1ccccn1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 250247423 NFVPIUHZQRUORL-QTZVNIFKSA-N 488.931 4.552 5 50 JJBA Cc1cccc(C)c1NC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)nc1SCC(=O)NC(C)(C)C 1077909 LQKUHXJXLJDQDE-UHFFFAOYSA-N 495.605 4.721 5 50 JJBA CCN(CC)C(=S)Sc1nc(Nc2ccc(OC)cc2)nc(Nc2cccc([N+](=O)[O-])c2)n1 1830055 VJLBYWCGFXCFJV-UHFFFAOYSA-N 485.595 4.994 5 50 JJBA COc1cc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 827001 UNXGYNYOGPLRQD-UHFFFAOYSA-N 463.397 4.646 5 50 JJBA COc1cc(C=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1143258 PTSCNFYRWHQYDO-UHFFFAOYSA-N 467.137 4.832 5 50 JJBA O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2688202 HJEWSBOXLHYCKG-CQSZACIVSA-N 468.080 4.695 5 50 JJBA CN([C@@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 1875306506 ISXISNRWYSAJLH-FQEVSTJZSA-N 479.327 4.907 5 50 JJBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 1175467 FKVZAUFCRVXUGM-FQEVSTJZSA-N 484.295 4.748 5 50 JJBA COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1 1205826 RUDJRPPDXWMORR-RUZDIDTESA-N 469.501 4.928 5 50 JJBA aggregator Cc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(I)cc2c1=O 8737846 AKEBAIHBHUXGLU-JXMROGBWSA-N 499.264 4.970 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)C(=O)N1c1cccc2ccccc12 136048810 RYZYEFDVPIMKHC-CCDWMCETSA-N 465.465 4.799 5 50 JJBA O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9426152 ZERXFEXKOHSNDH-UHFFFAOYSA-N 451.910 4.790 5 50 JJBA Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1864527 KMKDFHIRORTNJL-UHFFFAOYSA-N 462.458 4.840 5 50 JJBA CCOc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2825260 BLVSJNSBAKWAAX-UDWIEESQSA-N 476.416 4.696 5 50 JJBA CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccc(Br)cc1-2 1120074 PGLXXAJCUNGLSI-GBXSZLQWSA-N 476.312 4.758 5 50 JJBA O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 9668291 SJXDNRAOFQRDFA-UHFFFAOYSA-N 451.910 4.790 5 50 JJBA O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 1184170 ZJDCGVAHOZITRX-UHFFFAOYSA-N 450.520 4.972 5 50 JJBA Cc1ccc(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)S(C)(=O)=O)cc1C 2859110 LPAALKQIWLHTEK-UHFFFAOYSA-N 467.547 4.739 5 50 JJBA Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 16447539 HFBMTSXGQRVTHT-UHFFFAOYSA-N 459.907 4.888 5 50 JJBA O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809191 KHYCVJAJYVCKFB-UHFFFAOYSA-N 471.304 4.644 5 50 JJBA CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2F)cc1 2325899387 ASOSEDPYAYTGFX-UHFFFAOYSA-N 474.470 4.577 5 50 JJBA CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C(=O)OCC)c1C 2101750 AKVUVRDLRUUGMD-UHFFFAOYSA-N 454.888 4.614 5 50 JJBA CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 2991349 BJNRHTYUFDQSMV-UHFFFAOYSA-N 474.546 4.798 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 16426599 ICARLFUNKIJJOM-UHFFFAOYSA-N 497.617 4.776 5 50 JJBA Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 1131578 RMZUXNNXKKBHKJ-UHFFFAOYSA-N 473.938 4.699 5 50 JJBA O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)Nc1ccccc1F 2835591 ZBZHCJLFVKYGSM-UHFFFAOYSA-N 463.494 4.772 5 50 JJBA Cc1oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2c1C(=O)OC(C)C 15767642 PGIGLIHDOLEKJC-UHFFFAOYSA-N 452.872 4.669 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 871702 OOLQKTQRBFXIOS-QHCPKHFHSA-N 458.474 4.723 5 50 JJBA biogenic O=C(N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1Cl 3878100 PWFSYTKCMSJTQO-CQSZACIVSA-N 482.176 4.661 5 50 JJBA CC1=NN(c2ccccc2)C(=O)[C@@H]1C(c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)N(c2ccccc2)N=C1C 100998839 UPLCSJYZDURRJX-ZEQRLZLVSA-N 481.512 4.756 5 50 JJBA O=C(COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 1109995 DSYQQYQZNZUXNZ-UHFFFAOYSA-N 455.264 4.871 5 50 JJBA Cc1ccc(N[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 1787048 NCGDHPIVTKPVQP-MRXNPFEDSA-N 461.689 4.658 5 50 JJBA Cc1oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1C(=O)OCc1ccccc1 4149944 GMUXZWLUACOROC-UHFFFAOYSA-N 466.471 4.807 5 50 JJBA Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Br)cc4)cc3C2=O)c([N+](=O)[O-])c1 16247504 XGOVRGPOQVSTFR-UHFFFAOYSA-N 495.285 4.823 5 50 JJBA CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 245245178 BFURDYFRTOVTEE-DNVJHFABSA-N 493.903 4.698 5 50 JJBA CCCSc1nnc2c(n1)O[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N(C(=O)CC)c1ccccc1-2 2839472 OFUPLHWHNMSVNM-JOCHJYFZSA-N 495.517 4.512 5 50 JJBA CCC(=O)Nc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(NC(=O)CC)cc3)n2)cc1 8690085 PVYJTBJSXOHOSW-UHFFFAOYSA-N 463.498 4.877 5 50 JJBA O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 878070 CDXKFYFGIFETTH-UHFFFAOYSA-N 454.895 4.627 5 50 JJBA CC(C)Oc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2F)cc1 2325899686 RCLFETMEKOMSJP-UHFFFAOYSA-N 488.497 4.966 5 50 JJBA Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCc3cccc([N+](=O)[O-])c3)c1)C2=O 1136566 SWPXPIXNJUEUBB-UHFFFAOYSA-N 467.437 4.609 5 50 JJBA Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc([N+](=O)[O-])cc3)c3cc(Cl)ccc32)cc1 2884690 VIQFOMQWIREQCF-XMMPIXPASA-N 450.878 4.564 5 50 JJBA CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)c1 9008856 MZDDAQQSOMJBPN-UHFFFAOYSA-N 464.522 4.550 5 50 JJBA Cc1ccc([C@@H](C(=O)N(C)C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C2CC2)cc1 1875338340 UMOISOWNAOMGTD-VGOFRKELSA-N 456.974 4.820 5 50 JJBA O=C1c2ccccc2C(=O)N1CCn1c2ccc(Br)cc2c2nc3ccccc3nc21 1149955 MZYRHLBCBPPSAQ-UHFFFAOYSA-N 471.314 4.796 5 50 JJBA O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccccc2C1=O 16361928 NXGISPSQLLLHKN-UHFFFAOYSA-N 498.417 4.574 5 50 JJBA CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1[N+](=O)[O-] 1198000 NUFVZFAOKGVCQD-UHFFFAOYSA-N 451.870 4.942 5 50 JJBA O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 8781022 CHDROQMNJOYXAH-UHFFFAOYSA-N 495.377 4.932 5 50 JJBA COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC 245238369 MAELGRJYCNVOHT-CPJSRVTESA-N 461.474 4.863 5 50 JJBA O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1170809 QFIBPWHAZFRDRM-JOCHJYFZSA-N 474.498 4.663 5 50 JJBA COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2861813 HTQWEBLCTHTWGG-QFIPXVFZSA-N 460.417 4.594 5 50 JJBA O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(Br)c1 2982865 QMMFJWJEOTZWHA-UHFFFAOYSA-N 463.338 4.608 5 50 JJBA Cc1ccc(C)c(N[C@@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 2820870 ZFPVVXWWYLNQDY-QHCPKHFHSA-N 460.486 4.691 5 50 JJBA O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 229876191 BNRPMTUMQDZPAK-PWRODBHTSA-N 484.295 4.953 5 50 JJBA CCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2s1 9309938 ZQEVOWPHVFRDON-UHFFFAOYSA-N 466.544 4.649 5 50 JJBA CCOc1ccc(NC(=O)c2ccc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 104215360 URJAHJIAIBDJEK-UHFFFAOYSA-N 467.394 4.806 5 50 JJBA COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 2818957 FWIHHYSTHQMYSL-YBFXNURJSA-N 478.844 4.821 5 50 JJBA O=C(c1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 8682337 MHVXNLFUQJRZOH-UHFFFAOYSA-N 456.502 4.916 5 50 JJBA aggregator O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 8816336 KBACCDFWZXTJOI-UHFFFAOYSA-N 450.926 4.823 5 50 JJBA Cc1cc2nc3s/c(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n3c2cc1C 6794204 IVRFEZCMLHYHSO-KEBDBYFISA-N 451.891 4.895 5 50 JJBA O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9720485 VNORHMKDJFSHNF-UHFFFAOYSA-N 476.964 4.773 5 50 JJBA CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Cl)cc1 15767598 KIOOWAUZGQIXPW-PXLXIMEGSA-N 493.903 4.835 5 50 JJBA O=C1N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1 1139286 ZXFKYJLIMZHWME-YDZHTSKRSA-N 470.460 4.830 5 50 JJBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 16115722 YZAIECDFZNOYFO-UHFFFAOYSA-N 466.302 4.955 5 50 JJBA CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 227025653 OFCILHBPDUWKEH-YTFSRNRJSA-N 477.904 4.862 5 50 JJBA Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc21 1070009 HTYCPKMTXREPRT-XMMPIXPASA-N 450.878 4.564 5 50 JJBA CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccccc2)c1C 2101330 NTFKBTSKXIWLRP-UHFFFAOYSA-N 467.503 4.575 5 50 JJBA CC(C)c1ccc(CNc2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2[N+](=O)[O-])cc1 9601701 MOAKDGUXXBPKHE-UHFFFAOYSA-N 494.617 4.841 5 50 JJBA CC1(C)C[C@]2(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@](C)(C1)C[C@]13CC(C)(C)CC(=O)[C@]21O3 229939727 SBUQBCVVCLTAGI-JBXUNAHCSA-N 486.521 4.916 5 50 JJBA CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 1875309220 YOTIVPUBRCVTSZ-QHCPKHFHSA-N 474.473 4.524 5 50 JJBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O 1136787 KBZZUKQMMWZEMQ-UHFFFAOYSA-N 470.359 4.771 5 50 JJBA O=C(N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1232094 FHGDGRYMSPZHDA-CQSZACIVSA-N 482.176 4.661 5 50 JJBA O=C(COC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1)c1cccc([N+](=O)[O-])c1 2942700 HALOUCWIDCQMBH-UHFFFAOYSA-N 499.262 4.742 5 50 JJBA O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc([N+](=O)[O-])cc1 1172907 UHDJQEXEHLXHMZ-UHFFFAOYSA-N 468.498 4.609 5 50 JJBA CC[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C(=O)Nc1ccc(Br)cc1 2836548 QSUMWMOKPIZQOD-MRXNPFEDSA-N 476.356 4.662 5 50 JJBA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 245247784 XFPFRSWGFYOUEZ-YPAWHYETSA-N 463.877 4.608 5 50 JJBA O=C(COC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1 2864143 JQCMWWDCZRHMHD-UHFFFAOYSA-N 483.274 4.649 5 50 JJBA CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)N(c4ccccc4)O[C@H]3C2=O)cc1 229901819 BFURDYFRTOVTEE-YTFSRNRJSA-N 493.903 4.698 5 50 JJBA Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 1165683 JQVBAHZFUSUKQC-NDENLUEZSA-N 463.471 4.838 5 50 JJBA CC1=C(C(=O)OC(C)C)C(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C(=O)OC(C)C)=C(C)N1 1449269 JFMAJLPKTWNAFC-UHFFFAOYSA-N 468.506 4.993 5 50 JJBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 13080863 KIDNGLWKYGSARW-UHFFFAOYSA-N 482.587 4.591 5 50 JJBA Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 652627 SCXLCAUTNPWSHL-UHFFFAOYSA-N 476.512 4.709 5 50 JJBA CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 1156976 AUJARQBBYJSTHZ-UHFFFAOYSA-N 485.345 4.527 5 50 JJBA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)NC(=O)N1 1176815 IBGJAKLKEFSYNY-KRWDZBQOSA-N 479.718 4.586 5 50 JJBA O=C(COC(=O)[C@@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 2821489 AUNLCDKCAXZHAK-OAQYLSRUSA-N 466.877 4.728 5 50 JJBA Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 9669123 CZYODMNPXJMQSA-UHFFFAOYSA-N 478.936 4.771 5 50 JJBA CCCCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)c2nc3ccccc3nc21 3212670 ZTZCEWAFDPJWFA-UHFFFAOYSA-N 461.478 4.722 5 50 JJBA COC(=O)[C@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N(C)C4 3873010 QTYMDECKVKSGSM-IEXUNWISSA-N 495.535 4.651 5 50 JJBA in-vitro CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)OC(C)C)c1C 669085 WOEYTPDANMYIDC-UHFFFAOYSA-N 481.958 4.918 5 50 JJBA COc1ccc(-c2c(C)oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3c2=O)cc1OC 1097531 LGMKBCJDEQDZNE-UHFFFAOYSA-N 461.426 4.913 5 50 JJBA biogenic Nn1c(Cc2cccs2)nnc1S[C@H](CC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 45067825 COBSQTFCOGMBNY-GOSISDBHSA-N 471.589 4.720 5 50 JJBA COc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 2991212 IXJHTUHZWWAJGB-UHFFFAOYSA-N 490.497 4.729 5 50 JJBA O=C(N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1232918 CHEZIWQXQDQNMU-AWEZNQCLSA-N 468.518 4.862 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] 16383818 ZMNQTFSTVJORJE-UHFFFAOYSA-N 462.959 4.764 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 1446582 ZQICKCCOKDOHIB-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA CCCCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 9291167 IUUFCZXHMGPRIH-YRNVUSSQSA-N 490.969 4.912 5 50 JJBA Cc1cc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)ccc1C(C)C 16383703 DZIWERFAJSETTM-UHFFFAOYSA-N 466.357 4.681 5 50 JJBA O=C(COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1 1109015 WSHUTRZABCLCGQ-UHFFFAOYSA-N 455.264 4.871 5 50 JJBA O=C(Nc1ccc(N2CCOCC2)c(C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1Cl 16320023 HFWBYYHVIFZBLU-UHFFFAOYSA-N 465.893 4.568 5 50 JJBA CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)cc1 1109424 SZSXUQSCUHLFAN-UHFFFAOYSA-N 486.484 4.885 5 50 JJBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccc(Br)cc1 16361784 HFASMTTUWACFOV-UHFFFAOYSA-N 476.356 4.675 5 50 JJBA CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)c(Cl)c4)nc3cc2C)cc1[N+](=O)[O-] 1166433 TWZIAFUZIJCLBT-UHFFFAOYSA-N 481.896 4.950 5 50 JJBA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 12380539 LULPGXARXIPYLL-QMMMGPOBSA-N 493.166 4.945 5 50 JJBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc(C)c1-c1ccc(C)cc1 2101503 KDYMQJZINYAVBW-UHFFFAOYSA-N 455.448 4.887 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCN3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 16319508 NFAOETNYAYCGSP-KYNGSXCRSA-N 498.967 4.642 5 50 JJBA O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1cccc([N+](=O)[O-])c1 1064395 JUCJMTQIXFYIAF-HSZRJFAPSA-N 471.296 4.909 5 50 JJBA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1cc(C)cc(C)c1 2891233 LLBLIDPMKGJQDT-UHFFFAOYSA-N 497.573 4.671 5 50 JJBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1893716 VYDQVZHSTBAXKP-UHFFFAOYSA-N 486.575 4.535 5 50 JJBA Cc1nn([C@@H](C)c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2730980 DVHMZZVEMMCUDA-ZDUSSCGKSA-N 458.935 4.511 5 50 JJBA COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc24)C3=O)c([N+](=O)[O-])c1 4426678 LFGQUDBNDNSKHF-UHFFFAOYSA-N 467.437 4.810 5 50 JJBA Cc1ccc(Cl)cc1NC(=O)c1ccc(NCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 16400815 ZHCXMLNLFOFDAL-UHFFFAOYSA-N 478.892 4.517 5 50 JJBA Cc1nc2nc(Sc3c([N+](=O)[O-])nc(C)n3Cc3ccccc3)[nH]c2cc1Br 1196173 QULDRCPSVCKHQD-UHFFFAOYSA-N 459.329 4.641 5 50 JJBA O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 9317179 YNUCPIKVCMBTDF-UHFFFAOYSA-N 478.568 4.933 5 50 JJBA COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 9008892 JFXRXQUTQDGMPF-UHFFFAOYSA-N 474.561 4.529 5 50 JJBA COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1 15769000 BGVLHGNJWLVHFH-UHFFFAOYSA-N 482.294 4.661 5 50 JJBA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 9891979 ZASMDTYWDZPVLR-UHFFFAOYSA-N 466.626 4.840 5 50 JJBA CC(C)c1cc(=NC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)[nH]n1C(C)(C)C 2325861891 BSGAYXLUKDJTFX-UHFFFAOYSA-N 477.565 4.641 5 50 JJBA CCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccc(Br)cc2-c2nnc(SC)nc2O1 2977664 UYUSIYOJXOVTKG-KRWDZBQOSA-N 490.339 4.833 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 2986815 PYYPLVFVXJMZLD-UHFFFAOYSA-N 462.487 4.929 5 50 JJBA CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-] 1108050 MTKLMJLNIUWUMQ-UHFFFAOYSA-N 450.491 4.873 5 50 JJBA Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 1173673 PEAIMOVOBWNRNG-UHFFFAOYSA-N 452.850 4.849 5 50 JJBA C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc2ccccc2c1 9720341 SLYBQCMDEJFCPF-OAHLLOKOSA-N 479.480 4.666 5 50 JJBA O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 230030985 IQEGCBKLGKPGQO-KWNHSTDBSA-N 489.528 4.553 5 50 JJBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 2763759 GFHWOJZLZBZZDN-UHFFFAOYSA-N 464.330 4.715 5 50 JJBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cccc5ccccc45)CC3)ccc2[N+](=O)[O-])n1 9721013 FEXUXOKBYRJQKS-UHFFFAOYSA-N 455.518 4.513 5 50 JJBA Cc1nn(-c2ccccc2)c(O)c1C(c1ccc(O)c([N+](=O)[O-])c1)c1c(C)nn(-c2ccccc2)c1O 100915572 HWFOEHZXLJCFEK-UHFFFAOYSA-N 497.511 4.880 5 50 JJBA Cc1cc(OCc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)ccc1[N+](=O)[O-] 2802368 SFUJEFKZCMRRAK-UHFFFAOYSA-N 477.484 4.926 5 50 JJBA O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 9601750 CYJPKUZBERDLBL-UHFFFAOYSA-N 495.377 4.932 5 50 JJBA O=C(N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 1446581 ZQICKCCOKDOHIB-CQSZACIVSA-N 482.176 4.661 5 50 JJBA CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 677375 PMRPLCWRMYBAKA-UHFFFAOYSA-N 464.518 4.868 5 50 JJBA O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1F 1157092 YGXIUBSYAFNVTP-YBFXNURJSA-N 467.434 4.669 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 9699899 FSJLNSWZBQNBIW-HXUWFJFHSA-N 484.295 4.748 5 50 JJBA CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cc([N+](=O)[O-])ccc3OC)cc2oc1=O 1119027 PDIHDIOEMZPIHN-UHFFFAOYSA-N 475.881 4.746 5 50 JJBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1 8743254 MRSPMZVWICCNMA-IBGZPJMESA-N 460.534 4.739 5 50 JJBA O=C(Nc1cc(Oc2ccc(O)cc2)cc([N+](=O)[O-])c1)[C@@H]1CC(c2cccc(Br)c2)=NO1 1126310 AGHJUYOUESIPPO-NRFANRHFSA-N 498.289 4.987 5 50 JJBA CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C/c4scnc4C)CCC[C@@H]3[C@@H]2c2scnc2C)n1 8455394 YFKAGNWIGBBXNK-JQNRKXPMSA-N 497.606 4.778 5 50 JJBA O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 1157033 GZFIMCAWEQWERM-UHFFFAOYSA-N 494.356 4.731 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccccc1Cl 3142368 BPBZMJQGTRCXPS-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 15188316 NPGMIPQMWAPKPL-UHFFFAOYSA-N 495.967 4.774 5 50 JJBA O=C(N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1232917 CHEZIWQXQDQNMU-CQSZACIVSA-N 468.518 4.862 5 50 JJBA Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cc(Br)cs1 20427657 RRDQMWFWBJMITM-UHFFFAOYSA-N 488.776 4.599 5 50 JJBA O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 30691727 ASMXXROZKSBQIH-VITNCHFBSA-N 484.663 4.667 5 50 JJBA fda O=C1[C@H]2[C@@H](c3ccc(Cl)cc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1c1ccccc1 137625678 GJVYHXULAHPFTM-PWRODBHTSA-N 484.295 4.953 5 50 JJBA O=C(N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1232092 CNGPJOKJFLFXTJ-CQSZACIVSA-N 482.176 4.661 5 50 JJBA Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(=O)n(-c2ccccc2)n1C 1453678 YPKRTPWUTACACH-UHFFFAOYSA-N 452.854 4.558 5 50 JJBA COc1cc(-c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc(OC)c1OC 1053261 AWUVLJCDYKHEAY-UHFFFAOYSA-N 457.386 4.841 5 50 JJBA COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)cc1NC(=O)c1ccccc1 1151319 SMZLLOXNECUOTP-UHFFFAOYSA-N 455.854 4.770 5 50 JJBA CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nn12 2881557 MGBRORMLBVTABS-UHFFFAOYSA-N 460.475 4.836 5 50 JJBA CCOc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 976242 IYBTWQFFPMFVBV-UHFFFAOYSA-N 475.530 4.972 5 50 JJBA O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)[C@H]1CC(c2ccccc2O)=NO1 1126396 DBDBVUNAUKRKJA-OAQYLSRUSA-N 453.838 4.878 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1[N+](=O)[O-] 2982212 MZDODQZBSNCNEE-UHFFFAOYSA-N 462.487 4.847 5 50 JJBA CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 9295925 LMXSJRGJVIPAHD-YVLHZVERSA-N 463.309 4.993 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)OCc1ccccc1 4558601 PSGUPSZCSBVRHF-CQSZACIVSA-N 477.757 4.504 5 50 JJBA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 13153047 WIHUHTWGGYKLPC-UHFFFAOYSA-N 482.924 4.819 5 50 JJBA COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2101429 YWPXPWGTYGBSTR-UHFFFAOYSA-N 455.448 4.887 5 50 JJBA O=C(N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Cl 19799812 ZWOOQPTVWYKIGM-CQSZACIVSA-N 482.176 4.661 5 50 JJBA COc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cc2ccccc2o1 3770822 FBSPATZSKWCSHE-UHFFFAOYSA-N 490.497 4.729 5 50 JJBA COC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 1140808 GYFBZKXLZJZCLF-UHFFFAOYSA-N 453.838 4.539 5 50 JJBA O=C(Cc1ccccc1)NCC(=O)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2Cl)cc1 1074855 VGCRGVLFHTZWMH-UHFFFAOYSA-N 470.934 4.802 5 50 JJBA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12 9489275 PNXSAEIWSQAUSD-AYIBLLACSA-N 454.482 4.564 5 50 JJBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 16115451 YBKIIZMDHNBNFG-UHFFFAOYSA-N 466.302 4.955 5 50 JJBA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 1095932 MSVDTPDKWCIYJY-UHFFFAOYSA-N 466.906 4.678 5 50 JJBA CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2)c1C 2101392 DZRHGTYFIKSNTC-UHFFFAOYSA-N 498.473 4.554 5 50 JJBA CCOC(=O)c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Cl)c1 15768499 HPZAQQUFQYCLPX-HYARGMPZSA-N 493.903 4.835 5 50 JJBA CCC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)c(F)c1 20572842 PPSXUJHLEZNINP-UHFFFAOYSA-N 482.556 4.525 5 50 JJBA Cc1ccc([C@@H](C)NC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 1875327488 XQPXVXRXLNSBEZ-CRAIPNDOSA-N 469.542 4.563 5 50 JJBA O=C(Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O)Nc1cccc(C(F)(F)F)c1 959716 MEKPVHCORKKTCC-UHFFFAOYSA-N 474.420 4.691 5 50 JJBA Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cc1[N+](=O)[O-] 22130692 DXYYDCDQEQJKHO-HXUWFJFHSA-N 461.337 4.734 5 50 JJBA O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 225925283 ODVRZVCAYOWQQD-VAXLJCBTSA-N 490.941 4.546 5 50 JJBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 1173859 JBEIWVUFRPYBOR-UHFFFAOYSA-N 461.499 4.582 5 50 JJBA COc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 12844572 NZWWYCNWSVSKRK-UHFFFAOYSA-N 470.454 4.872 5 50 JJBA Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1119100 FRYWBBYQDDZKBP-UHFFFAOYSA-N 467.547 4.861 5 50 JJBA O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 1158039 ZIGSOXOQUYRQDM-UHFFFAOYSA-N 494.356 4.731 5 50 JJBA CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC 2821684 AJLDFXXHLGDWNN-UHFFFAOYSA-N 464.931 4.512 5 50 JJBA C[C@H](CCc1ccccc1)Nc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 8781018 MONNMTHQEWTYCC-OAQYLSRUSA-N 494.617 4.539 5 50 JJBA O=C(Nc1ccn(Cc2ccc(F)cc2Cl)n1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809338 CKGNVKBMXRKUHJ-UHFFFAOYSA-N 489.294 4.783 5 50 JJBA CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1[N+](=O)[O-] 12858892 GRDGILFQUOLSQN-UHFFFAOYSA-N 478.524 4.707 5 50 JJBA Cc1ccc(N2C(=O)N=C(O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1 245326831 LVGUGHMMFOGLPS-BKMJKUGQSA-N 470.485 4.747 5 50 JJBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)cc1NC(=O)c1ccccc1 2992928 WFVIEGJVJUNGAS-UHFFFAOYSA-N 455.854 4.770 5 50 JJBA Cc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c([N+](=O)[O-])cc1C 9355961 LDOVURRBGUVODD-OJKWPBSESA-N 452.510 4.956 5 50 JJBA Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(F)cc3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 12461801 OEGJYKXWOIWFTK-MHWRWJLKSA-N 469.450 4.700 5 50 JJBA Cc1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 1143130 VDDCMCCIIFXAOW-UHFFFAOYSA-N 459.531 4.941 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 2879691 KVXLPSPMZYJMAW-UHFFFAOYSA-N 469.519 4.582 5 50 JJBA O=[N+]([O-])c1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)ccc1O 15016360 LQJHYOKXLDIOOS-OAQYLSRUSA-N 459.487 4.948 5 50 JJBA CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc(OC(F)F)cc1 20214482 HTBXWLSCMCYKQE-UHFFFAOYSA-N 483.884 4.859 5 50 JJBA Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3O)nc2c1 2880022 YXNKHLNXQRRMOK-UHFFFAOYSA-N 462.487 4.852 5 50 JJBA CCNC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1[N+](=O)[O-] 43681890 KSDISINTEOCJOF-HSZRJFAPSA-N 459.502 4.701 5 50 JJBA CC(C)c1ccc(/C=C2\SC(=O)N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 334163325 OVGSVUHRUYTZFI-JCMHNJIXSA-N 466.563 4.534 5 50 JJBA CC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccc([N+](=O)[O-])cc4)cc(C(F)(F)F)n3n2)cc1 845313 JKKGVUVVAMBUIV-UHFFFAOYSA-N 469.379 4.778 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1[N+](=O)[O-] 1846157 AVBQTBHDYCCZQT-UHFFFAOYSA-N 477.502 4.632 5 50 JJBA CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc([N+](=O)[O-])c1 2848589 XECSDHARSLSHRE-UHFFFAOYSA-N 451.430 4.623 5 50 JJBA COc1ccc(N2C(=O)c3ccc(Oc4ccc(Br)cc4)cc3C2=O)c([N+](=O)[O-])c1 16183316 QVDBTNXRRMVUFE-UHFFFAOYSA-N 469.247 4.959 5 50 JJBA O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 9007898 AVWCFRPPLHCBIF-UHFFFAOYSA-N 477.521 4.724 5 50 JJBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 20214577 DSEUHMJJNUCEEO-ZWKOTPCHSA-N 457.943 4.862 5 50 JJBA Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 18093874 DNACVOWIIYDTMY-QHCPKHFHSA-N 458.543 4.780 5 50 JJBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1 1199566 DJTGNGYYRZVHFZ-UHFFFAOYSA-N 455.264 4.606 5 50 JJBA CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(Cn5nc(C)c([N+](=O)[O-])c5C)nc4c23)C1 2799844 WIQQDNDQGUVFFN-CQSZACIVSA-N 453.572 4.650 5 50 JJBA O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(-c4nnc(-c5cccc([N+](=O)[O-])c5)o4)c3)o2)c1 2924853 VTCCPGAZQGNJRV-UHFFFAOYSA-N 456.374 4.937 5 50 JJBA CCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 9805894 FSVZBCYBEQDCAF-GOSISDBHSA-N 450.524 4.807 5 50 JJBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(-c2ccccc2)cc1 1799328 FPIIOFHLGLTAKW-UHFFFAOYSA-N 465.512 4.803 5 50 JJBA O=C(c1ccc(Cl)cc1)[C@@H](Sc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1210904 ZFWAJRFEZBMSAK-FQEVSTJZSA-N 451.895 4.940 5 50 JJBA CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(CCn5nc(C)c([N+](=O)[O-])c5C)nc4c23)C1 2799831 NJJFWOSLKPNOJS-HNNXBMFYSA-N 467.599 4.844 5 50 JJBA CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cc2cccc(OC)c2o1 2860874 JGQPNCOLVQEQOZ-UHFFFAOYSA-N 467.507 4.667 5 50 JJBA COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1Cl 1141198 CQCXSFVLDOLHMM-UHFFFAOYSA-N 455.854 4.527 5 50 JJBA O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 9328910 VVDUGPFFKVWCKD-UHFFFAOYSA-N 468.391 4.629 5 50 JJBA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] 263616020 GNCVNZGNTVTBEX-UHFFFAOYSA-N 462.253 4.942 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)O 239412480 STBDFWORRHYEAL-ZNDGRNAPSA-N 472.497 4.996 5 50 JJBA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)NC(=O)N1 1176816 IBGJAKLKEFSYNY-QGZVFWFLSA-N 479.718 4.586 5 50 JJBA O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1cccc([N+](=O)[O-])c1 1064394 JUCJMTQIXFYIAF-QHCPKHFHSA-N 471.296 4.909 5 50 JJBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 1135951 OSLDXASARAIDBG-UHFFFAOYSA-N 452.422 4.906 5 50 JJBA CCc1ccc(NC(=O)COc2ccccc2C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 16381863 WVSUVBCUSLUKPB-UHFFFAOYSA-N 496.951 4.670 5 50 JJBA O=C1[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1c1c(Cl)cccc1Cl 229971760 ZZGDUMSFNPCPEV-QKNQBKEWSA-N 484.295 4.953 5 50 JJBA NC(=O)COc1ccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 1159739 MLSDPKNDNHXUAR-UHFFFAOYSA-N 475.379 4.522 5 50 JJBA O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8986280 ONHVQFFXBWWNIT-UHFFFAOYSA-N 451.910 4.790 5 50 JJBA Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 16362571 PFTUANWBRLWJLK-UHFFFAOYSA-N 478.936 4.771 5 50 JJBA O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 225925263 ODVRZVCAYOWQQD-QYOFDKIESA-N 490.941 4.546 5 50 JJBA O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccc(Cl)c([N+](=O)[O-])c1 1172264 WERJXMMNVSOPIX-UHFFFAOYSA-N 499.262 4.742 5 50 JJBA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 16183753 HDIITRHIQFCCBV-LIKPIUCQSA-N 475.298 4.754 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(OC(F)(F)F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 137885052 JQULETKQGCNLTD-PCCBWWKXSA-N 499.401 4.545 5 50 JJBA O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 226077941 PPCJZFVOOACGCM-VAXLJCBTSA-N 490.941 4.546 5 50 JJBA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(OC)c(OC)c3C(=O)O)C2)cc1 6924921 NNXSVNJRGYRROP-OAQYLSRUSA-N 477.473 4.675 5 50 JJBA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8444756 VSTDZLWVOCFKPA-UHFFFAOYSA-N 462.350 4.987 5 50 JJBA COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCc2ccco2)cc1 8769545 MEGTUGXZQFEYBX-JCMHNJIXSA-N 487.468 4.544 5 50 JJBA O=C(COC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 991310 VWIMCTNOGCOOEA-UHFFFAOYSA-N 483.274 4.649 5 50 JJBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)sc(C)c1-c1ccccc1 2451693 ZWECQVDSARCQBY-UHFFFAOYSA-N 454.460 4.759 5 50 JJBA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 15686509 WBDKLPJCGHCKLR-UHFFFAOYSA-N 481.355 4.993 5 50 JJBA CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)CC1 55214857 AXNSYFKZGNDKDD-UHFFFAOYSA-N 460.534 4.568 5 50 JJBA O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1cccc(/C(=C\c2ccccc2[N+](=O)[O-])C(=O)O)c1 71785258 GVPWNMIBAOVWOU-LRVMPXQBSA-N 460.398 4.753 5 50 JJBA O=[N+]([O-])c1cnn(Cc2ccc(-c3nnc(Nc4ccn(Cc5ccccc5Cl)n4)s3)o2)c1 2732203 NUURLLSRCGWNNX-UHFFFAOYSA-N 482.913 4.593 5 50 JJBA CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 13152871 BFDAXHTWZJDNSU-UHFFFAOYSA-N 454.914 4.902 5 50 JJBA O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1ccc(Cl)c([N+](=O)[O-])c1 1159700 UDJNFGWHZHICFM-UHFFFAOYSA-N 459.911 4.964 5 50 JJBA CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(CCn5nc(C)c([N+](=O)[O-])c5C)nc4c23)C1 2799832 NJJFWOSLKPNOJS-OAHLLOKOSA-N 467.599 4.844 5 50 JJBA CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@H]3C2=O)cc1 230034010 PAKCWQZRQFKPKC-ISJGIBHGSA-N 487.512 4.825 5 50 JJBA O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] 2856119 XHQUZJKOWKPIFA-HHHXNRCGSA-N 452.466 4.755 5 50 JJBA Cc1ccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)c([N+](=O)[O-])n1 253398546 GBVFNEAXXORKOW-MFZHEAOUSA-N 462.462 4.686 5 50 JJBA COc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cc1[N+](=O)[O-] 2863278 UCBRVRPPRVTTLX-QFIPXVFZSA-N 476.514 4.989 5 50 JJBA CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl 9848746 GWBVLTYYEWECPF-UHFFFAOYSA-N 482.349 4.919 5 50 JJBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccc(Cl)cc4)c3)CC2)cc1 8838325 OKASIVNUBDYNFT-UHFFFAOYSA-N 480.952 4.831 5 50 JJBA COc1cc2ccccc2cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 16393715 JLRLKXAIOVEVEJ-UHFFFAOYSA-N 474.561 4.709 5 50 JJBA Cc1ccc(C)c(N[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 2688209 PHBOKPFUTHCAOP-INIZCTEOSA-N 461.689 4.658 5 50 JJBA Cc1ccc(-c2csc3nc4c5ccccc5c(NCCCN5CCOCC5)nn4c(=O)c23)cc1 19910722 XLWKLZJJUBLVLS-UHFFFAOYSA-N 485.613 4.567 5 50 JJBA COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1 872119 BZWNKUGMWXJQII-VWLOTQADSA-N 469.501 4.615 5 50 JJBA Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)CCCn1nc([N+](=O)[O-])cc1C 2887666 CIVYYHWLVNAWMK-UHFFFAOYSA-N 465.341 4.687 5 50 JJBA CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 1166793 BWXOPVUXEWKVMX-UHFFFAOYSA-N 451.870 4.942 5 50 JJBA CCCn1c2ccccc2c2nnc(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)nc21 2064354 LYDIGNPJNRUORS-UHFFFAOYSA-N 479.547 4.638 5 50 JJBA CCn1c(Sc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])nnc1-c1ccccn1 1875352623 NNGIMCJRXKWFDU-UHFFFAOYSA-N 460.519 4.980 5 50 JJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 9601184 ZEYRLHHEGUGYCA-UHFFFAOYSA-N 452.323 4.736 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H](c2ccccc2)C=C[C@H]1c1ccccc1 16184052 STBDFWORRHYEAL-MHOPESGUSA-N 472.497 4.996 5 50 JJBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 17988935 KLIUPRGZNOLEQV-QZTJIDSGSA-N 476.316 4.634 5 50 JJBA O=C1[C@H]2[C@@H](c3ccc(Cl)cc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1Cc1ccccc1 137680293 QFBRVYRJRGJSGC-BHDDXSALSA-N 498.322 4.948 5 50 JJBA Cc1cccc(N2C(=O)N=C(O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)c1 245327290 NYFPBKFQGJVFRA-BKMJKUGQSA-N 470.485 4.747 5 50 JJBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2c(F)cccc2Cl)cc1 1161156 HKJZRYSHDXWKGZ-UHFFFAOYSA-N 491.928 4.525 5 50 JJBA O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 3878205 WPBCXKSZBWXYAE-CQSZACIVSA-N 467.534 4.896 5 50 JJBA COc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(OC)c1OCc1cccc(F)c1 1192237 BVSKZKXPJWSJRZ-JMIUGGIZSA-N 478.432 4.675 5 50 JJBA O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1cccc(Br)c1 2893090 QFQQZDJKKRKTDZ-UHFFFAOYSA-N 485.250 4.770 5 50 JJBA O=C(Nc1nnc(CSCc2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])cc1 2844248 HPBASGPVBWYEEU-UHFFFAOYSA-N 465.354 4.895 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCN3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 16319506 NFAOETNYAYCGSP-ZMYBRWDISA-N 498.967 4.642 5 50 JJBA CC1=NN(c2ccccc2)C(=O)[C@H]1C(c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)N(c2ccccc2)N=C1C 100921577 YUUCQRGSZMJREY-DNQXCXABSA-N 481.512 4.756 5 50 JJBA CC[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2746326 JLRFEZARFNWPLA-OAHLLOKOSA-N 479.547 4.544 5 50 JJBA CC(C)COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 10060059 MBFHSOCHNHWTFO-UHFFFAOYSA-N 451.445 4.611 5 50 JJBA CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(CCn5nc([N+](=O)[O-])cc5C)nc4c23)C1 2799849 DQAPZDDUSUYESJ-CQSZACIVSA-N 453.572 4.536 5 50 JJBA Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCc2ccncc2)cc1 4820493 OTBNCTWSYRTHGU-JLPGSUDCSA-N 482.496 4.646 5 50 JJBA CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 4150490 XRHQVCGYZJHUHX-UHFFFAOYSA-N 467.503 4.575 5 50 JJBA COc1cc(CO)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1146219 KTOXGJLNOZJMFD-UHFFFAOYSA-N 469.153 4.511 5 50 JJBA O=C(Nc1cc(O)cc([N+](=O)[O-])c1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 2056199 HJLZVBATMWYJFP-UHFFFAOYSA-N 483.815 4.996 5 50 JJBA Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 2868573 FKWVNBJGTYGEFO-UHFFFAOYSA-N 471.556 4.962 5 50 JJBA CCOc1cc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)ccc1OC(F)F 2809396 UQIRWNYVZXFCJX-UHFFFAOYSA-N 466.828 4.745 5 50 JJBA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1C 32654842 OATJHESANWDGLM-FYJGNVAPSA-N 476.514 4.677 5 50 JJBA COc1cc(NC(=O)c2cnn3c2N[C@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)cc([N+](=O)[O-])c1 866049 QQDILAOUAITARW-ROUUACIJSA-N 479.390 4.852 5 50 JJBA O=c1/c(=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2nc3ccccc3n12 110445130 VHHFUFVDOOFXQV-WSVATBPTSA-N 458.282 4.932 5 50 JJBA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2cccc([N+](=O)[O-])c2)cc1 2844370 TVZYOOADQXHIOT-UHFFFAOYSA-N 467.547 4.861 5 50 JJBA Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(C)C[C@@H]3c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 1875334199 DBGZBPWFAGULRW-RUZDIDTESA-N 480.590 4.506 5 50 JJBA Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 16361085 SSYDOYRRYUOPJQ-UHFFFAOYSA-N 454.508 4.965 5 50 JJBA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 12372261 INKFKGQOLPPSKY-OAHLLOKOSA-N 464.261 4.811 5 50 JJBA Cc1ccnn1Cc1nc2c3sc4nc(C(F)(F)F)cc(-c5ccco5)c4c3ncn2n1 13644906 SJVPMWDJEHSDQK-UHFFFAOYSA-N 455.425 4.719 5 50 JJBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 998010 RSBLKEKZSNGRJI-UHFFFAOYSA-N 469.217 4.873 5 50 JJBA Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 2818699 NSKXVJIECFNAOM-NRFANRHFSA-N 464.449 4.522 5 50 JJBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1[N+](=O)[O-] 9355031 FTYIABYGRYDQFO-UHFFFAOYSA-N 477.502 4.632 5 50 JJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl 1177410 TUSCAXBYIHOMMG-UHFFFAOYSA-N 494.356 4.941 5 50 JJBA CC[C@H](Sc1nnc(NC(=O)CCc2ccccc2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 2849200 JMOFJUWQLSXEDE-KRWDZBQOSA-N 471.564 4.527 5 50 JJBA O=C(CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc2ccccc2c1 2999992 LGHORHHREYYQPJ-UHFFFAOYSA-N 450.501 4.827 5 50 JJBA O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4003309 ADFJEXRKPDLKOJ-UHFFFAOYSA-N 485.338 4.525 5 50 JJBA CCOC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(C(=O)OCC)cc3)n2)cc1 4255918 ZSGJKOUNONTKPF-UHFFFAOYSA-N 465.466 4.534 5 50 JJBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1SCc1ccco1 9934629 OUFMXNMOKOTKAX-UHFFFAOYSA-N 493.994 4.644 5 50 JJBA CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3n2)cc1 2699544 UKCKAQSHHCUVAP-JCMHNJIXSA-N 488.525 4.713 5 50 JJBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 1875358411 VJZRJUKYKOTRFH-QMHKHESXSA-N 466.459 4.508 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)cc1[N+](=O)[O-] 8721642 RJGAZGBOKAMKKA-UHFFFAOYSA-N 498.524 4.617 5 50 JJBA CC(C)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 12383001 HMYWTJMUEBQHMW-UHFFFAOYSA-N 453.520 4.552 5 50 JJBA Cc1cc(C)c(NC(=O)CSc2nc(C)c(Cc3ccccc3Cl)c(=O)[nH]2)c([N+](=O)[O-])c1 16447725 CXHIXRJIBDOZMJ-UHFFFAOYSA-N 472.954 4.578 5 50 JJBA O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccc2c(c1)OCO2 2861456 VTIYQKXPEGFNDE-JOCHJYFZSA-N 490.855 4.829 5 50 JJBA COc1ccc(/C=C2\c3cc([N+](=O)[O-])cc(C(=O)O)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 8425337 ACRADYLGVGIICM-GIDUJCDVSA-N 463.358 4.687 5 50 JJBA O=C(NCc1ccco1)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 9334527 FFJANIFBALLQRO-JCMHNJIXSA-N 457.442 4.535 5 50 JJBA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c(C)c1 245247500 TXRMFAGOPOCSLU-DNVJHFABSA-N 477.904 4.916 5 50 JJBA COCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccccc3[N+](=O)[O-])c12 12445372 XDXIIFLTAYCHPD-NRFANRHFSA-N 463.515 4.993 5 50 JJBA C[C@]1(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1(Br)Br 2089702 NISFZVZOWUCPGL-CYBMUJFWSA-N 461.135 4.553 5 50 JJBA O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] 2980507 OGXOEDJUIUVNLB-UHFFFAOYSA-N 465.409 4.667 5 50 JJBA O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cc2ccccc2o1 2881360 DEQKIMGPNPAZAD-UHFFFAOYSA-N 460.471 4.720 5 50 JJBA COC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8867673 XOIIBHMUAGRWHD-DEOSSOPVSA-N 473.514 4.689 5 50 JJBA O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 16383865 DMYZNFUJKRRAAF-UHFFFAOYSA-N 478.471 4.693 5 50 JJBA COc1cccc2c1Oc1cc([N+](=O)[O-])cc3c1c(cn3S(=O)(=O)c1ccc(C)cc1)C2 1080850 BAZPBDQFUKZALN-UHFFFAOYSA-N 450.472 4.800 5 50 JJBA Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cccc1[N+](=O)[O-] 1181333 AKNASTJEHNWWPH-UHFFFAOYSA-N 468.922 4.936 5 50 JJBA Cc1oc(-c2cccs2)nc1COC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 1875344728 KJFGAYYKGDNEMI-UHFFFAOYSA-N 460.855 4.521 5 50 JJBA O=C(CCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 2998643 CZISNLKHVQENQS-UHFFFAOYSA-N 472.803 4.802 5 50 JJBA COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 855132 RNIGSDXUUZLYEG-JOCHJYFZSA-N 456.545 4.707 5 50 JJBA O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)c1 1196321 YMVUSCPQMYDTHU-UHFFFAOYSA-N 487.342 4.535 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1[N+](=O)[O-] 2982733 HTXUCRNBOMZNJU-UHFFFAOYSA-N 480.527 4.713 5 50 JJBA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1nnc(-c2cccc([N+](=O)[O-])c2)s1 18006968 OLQPCUQIUIWSIT-JQBYJRRVSA-N 480.505 4.510 5 50 JJBA O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1026533 HESPTOGAJGUCRN-UHFFFAOYSA-N 460.471 4.546 5 50 JJBA Cc1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 1860175 PCBRXQSTUGLZSN-UHFFFAOYSA-N 462.458 4.840 5 50 JJBA O=C(NCCc1ccccc1)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 26964540 BAPMHEZBOFSOJU-NCELDCMTSA-N 481.508 4.985 5 50 JJBA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8814641 OMKOMBZKXRCQCI-LBPRGKRZSA-N 458.729 4.671 5 50 JJBA O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(F)cc1 13856538 GJPJPURYLXHNEI-UHFFFAOYSA-N 466.421 4.671 5 50 JJBA Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCCO)C3=O)c1C 16212575 PSDJSLVNIYFCME-UHFFFAOYSA-N 498.333 4.849 5 50 JJBA O=C1[C@H]2[C@@H](c3ccc(OC(F)(F)F)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 137884937 JQULETKQGCNLTD-PWRODBHTSA-N 499.401 4.545 5 50 JJBA O=C(NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccccc1F 1074397 FEKFNUSFLLSABG-UHFFFAOYSA-N 463.494 4.537 5 50 JJBA O=C(COC(=O)[C@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 2821488 AUNLCDKCAXZHAK-NRFANRHFSA-N 466.877 4.728 5 50 JJBA O=C(N[C@H](CO)[C@H](OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 2797857 MXTKNXNCODWRFF-NHCUHLMSSA-N 489.311 4.591 5 50 JJBA CC(C)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 1144086 HAEHFENMDCHURW-UHFFFAOYSA-N 453.520 4.552 5 50 JJBA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)NC(=O)N1 1186456 WDIQNLYYBRUJNS-KRWDZBQOSA-N 479.718 4.586 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1[N+](=O)[O-] 2064404 BXDLRUHKPUMZCP-UHFFFAOYSA-N 466.450 4.678 5 50 JJBA O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 229989588 KMUSJELYDWZHEY-LNEBKTTKSA-N 489.528 4.553 5 50 JJBA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 229997850 RYAHVHBGHKSZTJ-ZEZDXWPOSA-N 491.503 4.968 5 50 JJBA O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCN(c3ccccc3Cl)CC2)cc1Nc1cccc(O)c1 3880492 JRNPGXNPBFKLBE-UHFFFAOYSA-N 469.885 4.932 5 50 JJBA CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccccc2)cc1 12381668 XVLSYRLIMYCNNX-ULJHMMPZSA-N 457.530 4.980 5 50 JJBA Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1Cl 16249252 YTEMGUGDIPZRGC-UHFFFAOYSA-N 472.756 4.899 5 50 JJBA C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 16670990 UHJXARPPPLENDZ-RRDXFFBTSA-N 478.504 4.920 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] 2064382 DBUVSBWKCFAGLR-UHFFFAOYSA-N 466.450 4.678 5 50 JJBA COc1ccc(N[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 3878072 XEFMJFJTBDGMJD-OAHLLOKOSA-N 453.109 4.795 5 50 JJBA Cc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl 4583641 IVIMTMUYJBILQT-HNNXBMFYSA-N 496.203 4.969 5 50 JJBA O=C(c1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9015780 PWYQTTOLPPWDFE-UHFFFAOYSA-N 489.915 4.984 5 50 JJBA COc1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 16114942 KGWBFGCZFDCMNZ-KGENOOAVSA-N 496.317 4.776 5 50 JJBA O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1113079 BKPBUXMCVYHEIM-UHFFFAOYSA-N 456.241 4.955 5 50 JJBA O=C(Nc1cccc([N+](=O)[O-])c1)C(C(=O)Nc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4012666 JIPDNWMDCJXFOI-UHFFFAOYSA-N 478.505 4.913 5 50 JJBA CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765782 MQAFUNNWEHHNNN-UHFFFAOYSA-N 478.482 4.888 5 50 JJBA COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CCCCC2)cc1Cl 16448935 ZRVTUAMZOWHPMF-UHFFFAOYSA-N 495.985 4.527 5 50 JJBA CC1(C)C(=O)[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@@H]1c1ccc(Br)cc1 1151247 SRSCTHCIRDFJFB-GCJKJVERSA-N 474.307 4.830 5 50 JJBA COCc1cc(C)nc2sc([C@H](O)c3ccccc3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c12 12445362 HDPUNCKABGPTOQ-OAQYLSRUSA-N 463.515 4.993 5 50 JJBA Cc1ccc(NC(=O)c2ccc(NCCN3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c([N+](=O)[O-])c2)cc1Cl 101733608 NFAOETNYAYCGSP-NIKGAXFTSA-N 498.967 4.642 5 50 JJBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 226986520 CJNZCBZZPHBHJA-CCDWMCETSA-N 481.464 4.906 5 50 JJBA CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 245327371 PAKCWQZRQFKPKC-UBFVSLLYSA-N 487.512 4.825 5 50 JJBA CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)c1 8837446 XZGMBODCRAGRMH-UHFFFAOYSA-N 474.561 4.957 5 50 JJBA O=C(/C=C/c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 9601735 GLNSEYMXCFHHJE-SDNWHVSQSA-N 456.546 4.611 5 50 JJBA O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 1180142 BUDSUTFMUOYHMS-UHFFFAOYSA-N 454.895 4.627 5 50 JJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1C 9235269 DDRCTIFRVSSZJQ-UHFFFAOYSA-N 482.349 4.648 5 50 JJBA COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(Br)cc2)cc1 22257925 JGJZODKCHRHOLY-KGENOOAVSA-N 496.317 4.776 5 50 JJBA COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c([N+](=O)[O-])c1 9721050 ULAAUYPZGROKCX-UHFFFAOYSA-N 461.503 4.582 5 50 JJBA Cc1ccc(C(C)C)c(OCCNC(=O)c2ccccc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 16381533 PNWAKQFTGASUCX-UHFFFAOYSA-N 491.544 4.853 5 50 JJBA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1nnc(-c2cccc([N+](=O)[O-])c2)s1 1131762 OLQPCUQIUIWSIT-UJKMTWAASA-N 480.505 4.510 5 50 JJBA O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(-c2ccccc2)cs1 1904033 WKVSLNPVCFLUPX-UHFFFAOYSA-N 464.503 4.513 5 50 JJBA Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1[N+](=O)[O-] 22130690 DXYYDCDQEQJKHO-FQEVSTJZSA-N 461.337 4.734 5 50 JJBA COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)CC[C@H]3O)ccc(O)c12 1775953731 LBNWMCYHIWPXDJ-DDVPAQIKSA-N 450.487 4.732 5 50 JJBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc(Br)ccc2Br)c([N+](=O)[O-])c1 104228806 UNSGMGBIJAYWQS-UHFFFAOYSA-N 462.010 4.680 5 50 JJBA CC1(C)CC(=O)[C@]23O[C@@]2(C1)C[C@@]1(C)CC(C)(C)C[C@]3(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 224919036 SBUQBCVVCLTAGI-OJJQZRKESA-N 486.521 4.916 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc(Br)o1 16226074 RKAYIJTZGGGPLM-NXGCWKMQSA-N 482.290 4.916 5 50 JJBA Cc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(-n2nc3ccccc3n2)c1 710927 YNVCHJJPELHBEJ-UHFFFAOYSA-N 453.252 4.619 5 50 JJBA O=C(NCCc1c[nH]c2ccccc12)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 2292936 DINBOMCDSDBPAJ-IWIPYMOSSA-N 488.931 4.859 5 50 JJBA Cc1onc(C(=O)N2c3ccnn3[C@H](C(F)(F)F)C[C@H]2C2CC2)c1COc1ccc([N+](=O)[O-])cc1 13641818 JAZAGBWDPKZVGG-ROUUACIJSA-N 491.426 4.599 5 50 JJBA O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1137635 PXUSKFVPVVNFDC-HHHXNRCGSA-N 452.466 4.755 5 50 JJBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccccc2F)c1C 2775578 PKAXOHFVQGDPNN-UHFFFAOYSA-N 471.466 4.785 5 50 JJBA CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)CC1 602716 HTGGAYLWTDOFDK-PKNBQFBNSA-N 453.564 4.573 5 50 JJBA in-vivo O=C(c1ccc(Cl)cc1)[C@H](Sc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1210906 ZFWAJRFEZBMSAK-HXUWFJFHSA-N 451.895 4.940 5 50 JJBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl 12376483 FDPDMTUSJBNTSO-UHFFFAOYSA-N 480.329 4.632 5 50 JJBA CCc1sc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2CC)cc1Br 20191230 VSPIOHJJYCYQGX-UHFFFAOYSA-N 496.412 4.990 5 50 JJBA CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 1875309219 YOTIVPUBRCVTSZ-HSZRJFAPSA-N 474.473 4.524 5 50 JJBA O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)o1 1119988 NHWCOUWWZNHNBI-LJQANCHMSA-N 451.439 4.974 5 50 JJBA CCCCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 15798947 YZJMGVCEJIDPFD-UHFFFAOYSA-N 451.445 4.755 5 50 JJBA CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 1193454 XVOCTIJETVUCAQ-PDGQHHTCSA-N 450.472 4.979 5 50 JJBA CCCCOc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccccc2)cc1 16114938 RXLBWDCZANJSKN-XIEYBQDHSA-N 473.529 4.861 5 50 JJBA Cc1ccc([C@H](C)NC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] 1875327495 XQPXVXRXLNSBEZ-YJBOKZPZSA-N 469.542 4.563 5 50 JJBA O=C(OCc1ccc(Br)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1136811 GPSWUIASNDAQPX-UHFFFAOYSA-N 476.304 4.547 5 50 JJBA O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 245312044 RYZYEFDVPIMKHC-UBFVSLLYSA-N 465.465 4.799 5 50 JJBA Cc1ccc(C)c(NC(=S)N[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 1232143 TYBXMWREHWPMCV-MRXNPFEDSA-N 475.785 4.624 5 50 JJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCCNS(=O)(=O)c1ccc2ccccc2c1 8672246 ADDCDDPNHJPLRL-UHFFFAOYSA-N 467.469 4.937 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 1232149 MTGFLIMYEGBELY-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA O=C(N[C@@H](CO)[C@H](OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 2797859 MXTKNXNCODWRFF-LEWJYISDSA-N 489.311 4.591 5 50 JJBA Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 2856528 JPLNYNXYKYRKAZ-UHFFFAOYSA-N 462.458 4.840 5 50 JJBA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 9363529 WTOCFLUIRNVTBV-UHFFFAOYSA-N 450.583 4.845 5 50 JJBA COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(Cl)cc2Cl)cc1 16115248 YLQOYJSIZUCJSB-UHFFFAOYSA-N 496.328 4.963 5 50 JJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 16401010 VTIVWWWLYFVXOI-UHFFFAOYSA-N 475.910 4.618 5 50 JJBA CCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(Br)cc2-c2nnc(SC)nc2O1 2977665 UYUSIYOJXOVTKG-QGZVFWFLSA-N 490.339 4.833 5 50 JJBA O=c1[nH]c(O)nc(/C=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1[N+](=O)[O-] 32687728 ZHXQKKSSPPXDNG-VURMDHGXSA-N 457.273 4.864 5 50 JJBA COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 8687599 QALIABISMNIWOW-UHFFFAOYSA-N 478.457 4.541 5 50 JJBA aggregator CCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1-2 1159761 KORPPUXXBCQCBL-MRXNPFEDSA-N 460.313 4.824 5 50 JJBA CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 1113875 VURIDSQRMMBMFM-UHFFFAOYSA-N 452.323 4.911 5 50 JJBA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1nnc(-c2cccc([N+](=O)[O-])c2)s1 1131755 OLQPCUQIUIWSIT-LIKPIUCQSA-N 480.505 4.510 5 50 JJBA Cc1ccc(C(=O)COC(=O)c2cccc(-n3c(=O)c4ccccc4c4ccccc4c3=O)c2)cc1 2594465 ZEWRJBMVRVYBIY-UHFFFAOYSA-N 475.500 4.852 5 50 JJBA C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc2ccccc2c1 9720340 SLYBQCMDEJFCPF-HNNXBMFYSA-N 479.480 4.666 5 50 JJBA O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 16383974 DKFPKZRVBBFJQR-UHFFFAOYSA-N 488.013 4.966 5 50 JJBA COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)no2)cc1OC 1086180 LMZLVYZICKTFMQ-UHFFFAOYSA-N 460.446 4.890 5 50 JJBA Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1Cl 1136688 LQYYQZIWWNHABN-UHFFFAOYSA-N 450.834 4.714 5 50 JJBA O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 16430525 SGKPUKQTHWWKFW-UHFFFAOYSA-N 470.938 4.524 5 50 JJBA COc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)cc1OC 1125056 DOGKQKAURUCSHI-UHFFFAOYSA-N 490.541 4.894 5 50 JJBA O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1[N+](=O)[O-] 2856118 XHQUZJKOWKPIFA-MHZLTWQESA-N 452.466 4.755 5 50 JJBA Cc1n[nH]c(C)c1[C@@H]1c2cc(Br)ccc2O[C@H](C(Cl)(Cl)Cl)[C@H]1[N+](=O)[O-] 12372242 JRZVEZYANBADJF-IHRRRGAJSA-N 469.550 4.697 5 50 JJBA COc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C)cc4)nc23)cc([N+](=O)[O-])c1 848690 KODCBQIWOYYSOM-UHFFFAOYSA-N 471.395 4.893 5 50 JJBA CCc1cc(=Nc2cnn(-c3ncc(Cl)cc3Cl)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 2325862455 UXFCKKZRHWLTCR-UHFFFAOYSA-N 456.293 4.667 5 50 JJBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccccc2C1=O 16361752 DGGKGXWWPMUXAJ-UHFFFAOYSA-N 498.417 4.574 5 50 JJBA Cc1ccc(N[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c(C)c1 1787051 NCGDHPIVTKPVQP-INIZCTEOSA-N 461.689 4.658 5 50 JJBA O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)Nc1ccccc1[N+](=O)[O-] 13633767 QEYHRQQMGYCWMY-UHFFFAOYSA-N 478.555 4.575 5 50 JJBA Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 1112532 GDIJDJMQIUUHKA-UHFFFAOYSA-N 461.503 4.913 5 50 JJBA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 1145164 JAGYUQGGSLVWBY-WOJGMQOQSA-N 498.289 4.719 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1[N+](=O)[O-] 2982497 KVNORHVYIUJTBU-UHFFFAOYSA-N 484.921 4.636 5 50 JJBA Cc1ccc2nc(-c3ccc(NC(=O)CCN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3)sc2c1 1807584 XHTFDGCLTXMYRV-UHFFFAOYSA-N 486.509 4.805 5 50 JJBA O=C(OCc1ccccc1Br)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2881218 BJAPMFHEIJSWKI-UHFFFAOYSA-N 476.304 4.547 5 50 JJBA CC1=C(C(=O)OC(C)C)C(c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C(=O)OC(C)C)=C(C)N1 19708447 OJZLEEPEUIRWSA-UHFFFAOYSA-N 468.506 4.993 5 50 JJBA O=C(N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 1232093 CNGPJOKJFLFXTJ-AWEZNQCLSA-N 482.176 4.661 5 50 JJBA COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2860459 PTGMKWLYMFZDEX-JOCHJYFZSA-N 460.417 4.594 5 50 JJBA Cc1cccc(C(=O)NCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 2882793 QDEYTXVXIVGMFT-UHFFFAOYSA-N 459.531 4.706 5 50 JJBA O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 9186568 BRKKVVZCYBXBJI-UHFFFAOYSA-N 476.867 4.694 5 50 JJBA O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 16320114 FNTWSSHKRICQPN-UHFFFAOYSA-N 479.876 4.953 5 50 JJBA Cc1cc(Cl)ccc1OCCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2618061 KFNUHOAWRXWRIX-UHFFFAOYSA-N 495.966 4.644 5 50 JJBA O=C(CCCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl 2998744 FLEMFVXVDXGAOE-UHFFFAOYSA-N 472.803 4.802 5 50 JJBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 16447578 KZJJDFFPSWKWGI-UHFFFAOYSA-N 459.907 4.720 5 50 JJBA CCN(CC)CCCn1c(-c2ccccc2[N+](=O)[O-])nc2c(sc3nc(C)cc(COC)c32)c1=O 12411621 TZRFJGSJXUMIAJ-UHFFFAOYSA-N 495.605 4.768 5 50 JJBA CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 20214673 UQUNKHCLXLHUIZ-QZTJIDSGSA-N 457.943 4.862 5 50 JJBA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 222006764 ZFPMVRVMAMAJJM-XAQRPHPSSA-N 476.327 4.983 5 50 JJBA CCCCOc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCc2ccco2)cc1 8829732 WPZMIMNGZUKNNK-KQWNVCNZSA-N 464.474 4.881 5 50 JJBA COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1[N+](=O)[O-] 13080554 MUPGEFDOZWQWOT-UHFFFAOYSA-N 461.503 4.582 5 50 JJBA COC(=O)C1=CN(CCC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 8867213 NFYRVMSRIJCSFL-UHFFFAOYSA-N 480.561 4.714 5 50 JJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1 2325899639 PDPREFHQKIZFEE-UHFFFAOYSA-N 481.534 4.640 5 50 JJBA O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl 1196957 IHQNRMOGVHNSEY-UHFFFAOYSA-N 466.302 4.955 5 50 JJBA COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 19800597 FELFFOSXIGXFIJ-UHFFFAOYSA-N 460.515 4.750 5 50 JJBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 490607885 LWLDOYSSHGODBD-UHFFFAOYSA-N 463.419 4.597 5 50 JJBA Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 1113737 YIUMSKKMNRCUKR-UHFFFAOYSA-N 453.458 4.808 5 50 JJBA COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1 8816333 FAGRLHKLIYNVOC-UHFFFAOYSA-N 480.952 4.831 5 50 JJBA CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1 9971692 QKDZOYGUBYBUFK-UHFFFAOYSA-N 464.522 4.550 5 50 JJBA O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1ccc2ccccc2c1 1120936 RFHNPMPUDRTDQW-UHFFFAOYSA-N 480.432 4.588 5 50 JJBA CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(OC(=O)COc2ccccc2)ccc2ccccc12 2873282 LMVFHQZKOSEKAA-HHHXNRCGSA-N 470.481 4.958 5 50 JJBA O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(OC(=O)c2ccccc2)cc1 1165013 CGNAVOJQNTZXAZ-UHFFFAOYSA-N 484.258 4.616 5 50 JJBA Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)c(=O)n3c2c1 2915110 UUWUQLRPIVFANK-GRSHGNNSSA-N 451.891 4.895 5 50 JJBA Cc1ccc(C(=O)OCc2ccc(Br)cc2)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1122599 HWPIHUZCLSRBIQ-UHFFFAOYSA-N 495.285 4.823 5 50 JJBA